| 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 | 36.3 | Very low | 34.5 | Very low | 246 Ų | 246 | 153.2 Ų | 153.2 | 100% | 1.212 | 87% | 0.867 | S | S | * | * | 0 | 153.2 | 0 | -56.5 | 75.3 | 162.6 | 0 | 0 | 108.2 | |||||
| 2 | G | 33.9 | Very low | 34.2 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 87% | 0.866 | S | S | * | * | cis | -165.3 | 152.5 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | A | 32.4 | Very low | 34 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 85% | 0.851 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 149.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 4 | R | 37.3 | Very low | 33.6 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 134.3 | 155.5 | -78.3 | -175.3 | 174.9 | 177.8 | -1.3 | 109.2 | ||
| 5 | V | 35.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 79% | 0.788 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 136.3 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 6 | R | 37.6 | Very low | 33 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | trans | -109.3 | 133.5 | 156.3 | -74.1 | -176.8 | 172.4 | -170.7 | -2.4 | 107.5 | ||||
| 7 | Q | 36.1 | Very low | 32.7 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | trans | -92.3 | 140.8 | 162.2 | -84.3 | 178.6 | -47.6 | 0 | 0 | 109.6 | ||||
| 8 | A | 33.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -140.9 | 145.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 9 | A | 32.9 | Very low | 32.4 | Very low | 91 Ų | 91 | 150.7 Ų | 150.7 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -133.7 | 116.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 10 | V | 33.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | 64.3 | 95.3 | 101.5 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 11 | T | 30.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | 66.9 | 109.4 | 51.7 | 78.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 12 | S | 31.9 | Very low | 31.9 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -157 | 108.2 | 150.4 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | E | 31.2 | Very low | 31.4 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -85.8 | 162.4 | 167.4 | -65.9 | 171.1 | 108.1 | 0 | 0 | 110.4 | ||||
| 14 | A | 28.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 158.8 Ų | 158.8 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -145.3 | 107.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | E | 30.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -117.1 | 138.6 | -178 | -167.9 | -150.3 | 151 | 0 | 0 | 110.2 | N17 | E15-N17 PolarHBondContact OE1-ND2 3.24Š| ||
| 16 | V | 27.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -138.9 | 128.7 | 161.5 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | N | 27.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | trans | -109.3 | 174.8 | -176.8 | -131 | -72.1 | 0 | 0 | 0 | 108.6 | E15 | E15-N17 PolarHBondContact OE1-ND2 3.24Š| ||
| 18 | I | 29.3 | Very low | 30.1 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | cis | -153.8 | 153.7 | 22.5 | -40.1 | 153.9 | 0 | 0 | 0 | 110 | ||||
| 19 | K | 29.8 | Very low | 30.1 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 129.5 | 127 | 148.7 | -70.4 | 158.1 | -172.4 | 173.1 | 0 | 113.3 | ||||
| 20 | G | 30.2 | Very low | 29.9 | Very low | 69 Ų | 69 | 147 Ų | 147 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 137.3 | 97.8 | -17.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 21 | R | 30.1 | Very low | 29.8 | Very low | 259 Ų | 259 | 152.2 Ų | 152.2 | 98% | 0.977 | 80% | 0.799 | S | S | * | * | trans | -165.6 | 161.3 | 147.9 | -120.5 | 170.1 | -88.9 | -148 | -0 | 112 | ||||
| 22 | R | 30.3 | Very low | 29.9 | Very low | 223 Ų | 223 | 154.1 Ų | 154.1 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -89.1 | 155.9 | -174.3 | -57.7 | 170.2 | 174.3 | 158.4 | -4.5 | 111.9 | ||||
| 23 | F | 25 | Very low | 29.6 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | -170 | 175.3 | 101.8 | -116.2 | -90.6 | 0 | 0 | 0 | 113.2 | |||||
| 24 | Q | 27.4 | Very low | 29.6 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 173.5 | 177.2 | -53.9 | 148.6 | -81.7 | 0 | 0 | 110.6 | ||||
| 25 | A | 27.7 | Very low | 29.5 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | cis | -152.7 | -167.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | A | 31.4 | Very low | 29.5 | Very low | 87 Ų | 87 | 160.7 Ų | 160.7 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | cis | -153.5 | 147.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 27 | S | 32.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 159.3 Ų | 159.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 114.6 | 167.8 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | T29 | S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 2.7Å | ||
| 28 | Q | 31.9 | Very low | 29.6 | Very low | 164 Ų | 164 | 164.2 Ų | 164.2 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -80.2 | 82.5 | 173.3 | -74.3 | -164.4 | 1 | 0 | 0 | 110.5 | F30 | Q28-F30 PolarHBondContact O-N 2.69Š| ||
| 29 | T | 33.7 | Very low | 30 | Very low | 115 Ų | 115 | 164.7 Ų | 164.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 101.7 | 167.6 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | S27 R31 | S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 2.7Å; T29-R31 PolarHBondContact O-N 2.75Å | ||
| 30 | F | 28.7 | Very low | 30.3 | Very low | 188 Ų | 188 | 162.9 Ų | 162.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -61.1 | 133.3 | 171.3 | -97.6 | -98.1 | 0 | 0 | 0 | 110.7 | Q28 L32 | Q28-F30 PolarHBondContact O-N 2.69Å; F30-L32 PolarHBondContact O-N 3.32Å; F30-L32 VanDerWaalsContact O-N 3.15Å | ||
| 31 | R | 31.3 | Very low | 30.5 | Very low | 238 Ų | 238 | 165 Ų | 165 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 98.5 | -171 | -66.3 | 178.3 | 179.7 | 171.1 | -0.4 | 111 | T29 C33 | T29-R31 PolarHBondContact O-N 2.75Å; R31-C33 PolarHBondContact O-N 2.8Å | ||
| 32 | L | 31.8 | Very low | 30.8 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -62.2 | 103.6 | 160.1 | -95.1 | 152.4 | 0 | 0 | 0 | 109.3 | F30 R34 | F30-L32 PolarHBondContact O-N 3.32Å; F30-L32 VanDerWaalsContact O-N 3.15Å; L32-R34 PolarHBondContact O-N 2.97Å | ||
| 33 | C | 25.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 94.8 | -179.6 | -164.2 | 0 | 0 | 0 | 0 | 110.1 | R31 V35 | R31-C33 PolarHBondContact O-N 2.8Å; C33-V35 PolarHBondContact O-N 2.82Å | ||
| 34 | R | 32.3 | Very low | 32.3 | Very low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -84.2 | 75.5 | -168.6 | -161.1 | 173.6 | -167.8 | 164 | 4.6 | 112.1 | L32 R36 | L32-R34 PolarHBondContact O-N 2.97Å; R34-R36 PolarHBondContact O-N 3.47Å | ||
| 35 | V | 27.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 154 Ų | 154 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | -54.4 | 128.2 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | C33 V37 | C33-V35 PolarHBondContact O-N 2.82Å; V35-V37 HydrophobicContact CG1-CG2 4.15Å | ||
| 36 | R | 29.7 | Very low | 32.8 | Very low | 237 Ų | 237 | 156.9 Ų | 156.9 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -122.3 | 70.8 | -169 | -161.8 | -176.4 | -159.4 | 171.7 | 6.7 | 111.4 | R34 R38 | R34-R36 PolarHBondContact O-N 3.47Å; R36-R38 PolarHBondContact O-N 3.16Å | ||
| 37 | V | 28.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 124.8 | 175.1 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | V35 I39 | V35-V37 HydrophobicContact CG1-CG2 4.15Å; V37-I39 HydrophobicContact CG1-CD1 4.42Å; V37-I39 HydrophobicContact CG1-CG1 3.89Å | ||
| 38 | R | 29 | Very low | 32.7 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -108 | 90 | 176.7 | -178.7 | -168.5 | -87.8 | 162.8 | -9.5 | 109.4 | R36 | R36-R38 PolarHBondContact O-N 3.16Š| ||
| 39 | I | 36.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -84.4 | 126.4 | 172.3 | -54.3 | -178.7 | 0 | 0 | 0 | 108.9 | V37 | V37-I39 HydrophobicContact CG1-CD1 4.42Å; V37-I39 HydrophobicContact CG1-CG1 3.89Å | ||
| 40 | H | 35.9 | Very low | 32.8 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -104.6 | 98.5 | 168 | -88.8 | -104.5 | 0 | 0 | 0 | 109.7 | ||||
| 41 | S | 34.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -171.2 | 167.7 | 135.8 | -154.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 42 | A | 38.2 | Very low | 33.3 | Very low | 83 Ų | 83 | 153 Ų | 153 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -19.3 | 123.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 43 | R | 48.1 | Very low | 33.6 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | 29.2 | 102.5 | 128.3 | -60.1 | 178.7 | 179.6 | -178.7 | -0.3 | 118.3 | |||||
| 44 | L | 37.6 | Very low | 34.3 | Very low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | -176.7 | 133.5 | 110.8 | -100.3 | 151.6 | 0 | 0 | 0 | 109.1 | |||||
| 45 | S | 31.6 | Very low | 34.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -137.7 | 108.7 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 46 | L | 34.6 | Very low | 35.8 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -74 | 130.2 | 151.6 | -80.2 | 79 | 0 | 0 | 0 | 106.7 | L48 | L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.84Å | ||
| 47 | S | 30.8 | Very low | 36.6 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -79.8 | 77.3 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | S49 | S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.41Å | ||
| 48 | L | 30.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -76.9 | 88.3 | 166 | -161.2 | 77.2 | 0 | 0 | 0 | 108.3 | L46 V50 | L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.84Å; L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 HydrophobicContact CD2-CG2 4.32Å; L48-V50 PolarHBondContact O-N 2.74Å | ||
| 49 | S | 32.8 | Very low | 39.5 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -71.7 | 80.6 | 178.7 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | S47 Q51 | S47-S49 VanDerWaalsContact C-N 3.3Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.41Å; S49-Q51 VanDerWaalsContact C-N 3.26Å; S49-Q51 PolarHBondContact O-N 2.81Å | ||
| 50 | V | 35 | Very low | 41.5 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -66.8 | 90 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | L48 F52 | L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 HydrophobicContact CD2-CG2 4.32Å; L48-V50 PolarHBondContact O-N 2.74Å; V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CD2 4.09Å; V50-F52 HydrophobicContact CG1-CE2 4.06Å; V50-F52 PolarHBondContact O-N 2.91Å | ||
| 51 | Q | 34.6 | Very low | 43.9 | Very low | 177 Ų | 177 | 116.9 Ų | 116.9 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | trans | -70.2 | 93.5 | 169.9 | -71.8 | -177.6 | -27 | 0 | 0 | 108.4 | S49 G53 | S49-Q51 VanDerWaalsContact C-N 3.26Å; S49-Q51 PolarHBondContact O-N 2.81Å; Q51-G53 PolarHBondContact O-N 3.49Å | ||
| 52 | F | 36.9 | Very low | 46.7 | Very low | 188 Ų | 188 | 113.4 Ų | 113.4 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -56.4 | 114.9 | 157 | -89 | -90.9 | 0 | 0 | 0 | 107.5 | V50 S54 | V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CD2 4.09Å; V50-F52 HydrophobicContact CG1-CE2 4.06Å; V50-F52 PolarHBondContact O-N 2.91Å; F52-S54 VanDerWaalsContact C-N 3.34Å; F52-S54 PolarHBondContact O-N 3.37Å | ||
| 53 | G | 37.1 | Very low | 49.4 | Very low | 68 Ų | 68 | 109.6 Ų | 109.6 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | -67.2 | 88.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q51 V55 | Q51-G53 PolarHBondContact O-N 3.49Å; G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 3.38Å | ||
| 54 | S | 40.8 | Very low | 51.6 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | trans | -62.7 | 96 | 162.7 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | F52 P56 | F52-S54 VanDerWaalsContact C-N 3.34Å; F52-S54 PolarHBondContact O-N 3.37Å; S54-P56 WeakPolarHBondContact O-CD 3.31Å | ||
| 55 | V | 40.9 | Very low | 54.4 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -56.6 | 121.4 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | G53 V57 | G53-V55 VanDerWaalsContact C-N 3.3Å; G53-V55 PolarHBondContact O-N 3.38Å; V55-V57 PolarHBondContact O-N 3.37Å | ||
| 56 | P | 48.4 | Very low | 57.4 | Low | 71 Ų | 71 | 89 Ų | 89 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | trans | -66.6 | 108.8 | -175.7 | 25.6 | -33.7 | 0 | 0 | 0 | 109.9 | S54 G58 M59 | S54-P56 WeakPolarHBondContact O-CD 3.31Å; P56-G58 PolarHBondContact O-N 3.3Å; P56-M59 HydrophobicContact CB-CE 4.02Å; P56-M59 HydrophobicContact CB-CG 4.37Å; P56-M59 HydrophobicContact CB-SD 4.3Å; P56-M59 HydrophobicContact CG-CE 3.8Å; P56-M59 HydrophobicContact CG-CG 3.99Å; P56-M59 HydrophobicContact CG-SD 3.55Å; P56-M59 VanDerWaalsContact CG-SD 3.55Å | ||
| 57 | V | 48 | Very low | 60.2 | Low | 139 Ų | 139 | 81.8 Ų | 81.8 | 84% | 0.842 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 103.6 | 177 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V55 | V55-V57 PolarHBondContact O-N 3.37Š|
| 58 | G | 53.7 | Low | 63.1 | Low | 58 Ų | 58 | 77.3 Ų | 77.3 | 60% | 0.598 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.5 | 10.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | P56 Q84 | P56-G58 PolarHBondContact O-N 3.3Å; G58-Q84 VanDerWaalsContact N-OE1 3.14Å |
| 59 | M | 63.8 | Low | 65.8 | Low | 118 Ų | 118 | 71 Ų | 71 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | trans | -110.4 | 133 | 179.8 | -64.2 | -164.2 | 179 | 0 | 0 | 113.1 | P56 | P56-M59 HydrophobicContact CB-CE 4.02Å; P56-M59 HydrophobicContact CB-CG 4.37Å; P56-M59 HydrophobicContact CB-SD 4.3Å; P56-M59 HydrophobicContact CG-CE 3.8Å; P56-M59 HydrophobicContact CG-CG 3.99Å; P56-M59 HydrophobicContact CG-SD 3.55Å; P56-M59 VanDerWaalsContact CG-SD 3.55Å | ||
| 60 | S | 77.8 | Confident | 68.1 | Low | 60 Ų | 60 | 76 Ų | 76 | 42% | 0.42 | 44% | 0.443 | S | S | . | . | trans | -77.3 | 144.5 | 169.3 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | V82 | S60-V82 CarbonylContact C-O 3.47Å; S60-V82 WeakPolarHBondContact CA-O 3.49Å; S60-V82 VanDerWaalsContact CB-O 3.23Å; S60-V82 WeakPolarHBondContact CB-O 3.28Å | ||
| 61 | V | 87.6 | Confident | 70.4 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 16% | 0.158 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.1 | -176 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V63 T81 V82 L133 F141 | V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 2.98Å; V61-T81 CarbonylContact O-C 3.59Å; V61-T81 WeakPolarHBondContact O-CA 3.49Å; V61-V82 PolarHBondContact N-O 2.84Å; V61-V82 PolarHBondContact O-N 3.05Å; V61-L133 HydrophobicContact CG1-CD2 4.17Å; V61-L133 HydrophobicContact CG2-CD2 4.45Å; V61-F141 HydrophobicContact CG1-CB 3.74Å |
| 62 | T | 91.9 | Very high | 72.7 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 107.1 | 170.2 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | A139 T140 F141 | T62-A139 PolarHBondContact N-O 2.78Å; T62-T140 CarbonylContact O-C 3.48Å; T62-T140 WeakPolarHBondContact O-CA 3.34Å; T62-F141 PolarHBondContact O-N 2.88Å |
| 63 | V | 94.6 | Very high | 75.1 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.018 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.7 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | V61 A65 R79 F80 V82 L93 F141 L143 | V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 2.98Å; V63-A65 HydrophobicContact CG1-CB 4.41Å; V63-R79 VanDerWaalsContact O-CA 3.31Å; V63-R79 WeakPolarHBondContact O-CA 3.48Å; V63-F80 HydrophobicContact CB-CD2 4.08Å; V63-F80 HydrophobicContact CB-CE1 4.2Å; V63-F80 HydrophobicContact CB-CE2 3.71Å; V63-F80 HydrophobicContact CB-CG 4.5Å; V63-F80 HydrophobicContact CB-CZ 3.78Å; V63-F80 HydrophobicContact CG1-CE1 4.01Å; V63-F80 HydrophobicContact CG1-CE2 4.07Å; V63-F80 HydrophobicContact CG1-CZ 3.63Å; V63-F80 HydrophobicContact CG2-CD2 4.44Å; V63-F80 HydrophobicContact CG2-CE2 3.92Å; V63-F80 HydrophobicContact CG2-CZ 4.33Å; V63-F80 PolarHBondContact N-O 2.72Å; V63-F80 PolarHBondContact O-N 2.69Å; V63-V82 HydrophobicContact CG2-CB 4.49Å; V63-V82 HydrophobicContact CG2-CG2 3.67Å; V63-L93 HydrophobicContact CG1-CD1 4.47Å; V63-L93 HydrophobicContact CG2-CD1 4.1Å; V63-F141 HydrophobicContact CG1-CD1 4.41Å; V63-F141 HydrophobicContact CG2-CD1 4.36Å; V63-L143 HydrophobicContact CG1-CB 3.79Å; V63-L143 HydrophobicContact CG1-CD2 3.75Å; V63-L143 HydrophobicContact CG1-CG 4.44Å |
| 64 | K | 95.3 | Very high | 77.7 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102 | 165.2 | -177.2 | 177.7 | -176.3 | -166.5 | 0 | 108 | Y66 I77 R79 T140 F141 L143 | K64-Y66 HydrophobicContact CB-CE2 4.35Å; K64-Y66 HydrophobicContact CD-CE2 3.73Å; K64-Y66 VanDerWaalsContact CE-CZ 3.47Å; K64-Y66 VanDerWaalsContact CE-OH 3.3Å; K64-Y66 WeakPolarHBondContact CE-OH 3.49Å; K64-Y66 HydrophobicContact CG-CD2 4.23Å; K64-Y66 HydrophobicContact CG-CE2 3.64Å; K64-Y66 PolarHBondContact NZ-OH 2.81Å; K64-Y66 WeakPolarHBondContact O-CD2 3.3Å; K64-I77 HydrophobicContact CG-CG2 4.04Å; K64-R79 HydrophobicContact CB-CG 4.08Å; K64-R79 HydrophobicContact CG-CG 3.86Å; K64-T140 HydrophobicContact CB-CG2 3.73Å; K64-F141 PolarHBondContact N-O 3.34Å; K64-L143 PolarHBondContact O-N 2.88Å |
| 65 | A | 95.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V63 I77 R78 F80 F101 L143 I145 | V63-A65 HydrophobicContact CG1-CB 4.41Å; A65-I77 WeakPolarHBondContact O-CA 3.44Å; A65-R78 PolarHBondContact N-O 3.23Å; A65-R78 PolarHBondContact O-N 2.92Å; A65-F80 HydrophobicContact CB-CE1 4Å; A65-F101 HydrophobicContact CB-CE2 3.55Å; A65-F101 HydrophobicContact CB-CZ 3.71Å; A65-L143 CarbonylContact C-O 3.49Å; A65-L143 VanDerWaalsContact CA-O 3.28Å; A65-L143 WeakPolarHBondContact CA-O 3.06Å; A65-L143 HydrophobicContact CB-CB 4.49Å; A65-L143 HydrophobicContact CB-CD2 4.46Å; A65-I145 HydrophobicContact CB-CD1 3.92Å |
| 66 | Y | 95.3 | Very high | 82.5 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 109.5 | -179.4 | -66.5 | -105.1 | 0 | 0 | 0 | 109 | K64 V74 I77 R142 L143 Y144 I145 | K64-Y66 HydrophobicContact CB-CE2 4.35Å; K64-Y66 HydrophobicContact CD-CE2 3.73Å; K64-Y66 VanDerWaalsContact CE-CZ 3.47Å; K64-Y66 VanDerWaalsContact CE-OH 3.3Å; K64-Y66 WeakPolarHBondContact CE-OH 3.49Å; K64-Y66 HydrophobicContact CG-CD2 4.23Å; K64-Y66 HydrophobicContact CG-CE2 3.64Å; K64-Y66 PolarHBondContact NZ-OH 2.81Å; K64-Y66 WeakPolarHBondContact O-CD2 3.3Å; Y66-V74 HydrophobicContact CD1-CG1 4.01Å; Y66-V74 HydrophobicContact CD1-CG2 3.94Å; Y66-I77 HydrophobicContact CD1-CD1 3.83Å; Y66-I77 HydrophobicContact CD1-CG1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.79Å; Y66-I77 HydrophobicContact CE1-CG1 4.32Å; Y66-R142 HydrophobicContact CE2-CB 4.37Å; Y66-R142 HydrophobicContact CE2-CG 4.47Å; Y66-L143 PolarHBondContact N-O 2.96Å; Y66-Y144 HydrophobicContact CD1-CE1 4.33Å; Y66-Y144 HydrophobicContact CD2-CD1 4.29Å; Y66-Y144 HydrophobicContact CD2-CE1 4Å; Y66-Y144 HydrophobicContact CE2-CE1 4.43Å; Y66-Y144 HydrophobicContact CG-CD1 4.09Å; Y66-Y144 AromaticContact CG-CE1 3.94Å; Y66-Y144 HydrophobicContact CG-CE1 3.94Å; Y66-Y144 WeakPolarHBondContact O-CA 3.19Å; Y66-I145 PolarHBondContact O-N 2.85Å |
| 67 | L | 93.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.8 | 173.7 | 177.7 | 59 | 0 | 0 | 0 | 109.7 | K75 E76 F101 N103 L104 I145 | L67-K75 HydrophobicContact CD2-CD 4.47Å; L67-K75 HydrophobicContact CG-CB 4.4Å; L67-K75 HydrophobicContact CG-CD 4.27Å; L67-K75 PolarHBondContact O-N 2.94Å; L67-E76 HydrophobicContact CB-CB 4.14Å; L67-E76 HydrophobicContact CD2-CB 4.33Å; L67-E76 PolarHBondContact N-O 3.43Å; L67-E76 PolarHBondContact O-N 3.14Å; L67-F101 HydrophobicContact CB-CD1 4.14Å; L67-F101 HydrophobicContact CB-CE1 3.77Å; L67-F101 HydrophobicContact CB-CZ 4.48Å; L67-F101 HydrophobicContact CD2-CD1 4.08Å; L67-N103 HydrophobicContact CD2-CB 4.47Å; L67-L104 HydrophobicContact CD1-CD1 4.35Å; L67-L104 HydrophobicContact CD1-CD2 4.04Å; L67-I145 HydrophobicContact CD1-CB 4.22Å; L67-I145 HydrophobicContact CD1-CG2 4.09Å |
| 68 | L | 92.4 | Very high | 86.9 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 149.6 | -176.4 | -56.8 | -170.8 | 0 | 0 | 0 | 112.7 | V74 L120 Y144 I145 R146 | L68-V74 HydrophobicContact CD2-CG2 4.02Å; L68-L120 HydrophobicContact CD1-CD1 4.17Å; L68-Y144 HydrophobicContact CD2-CD1 4.19Å; L68-I145 WeakPolarHBondContact CB-O 3.42Å; L68-I145 PolarHBondContact N-O 2.82Å; L68-R146 HydrophobicContact CB-CG 4.4Å; L68-R146 HydrophobicContact CD1-CG 4.18Å |
| 69 | G | 86.5 | Confident | 88.8 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | trans | -82.1 | -169.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D71 Q73 | G69-D71 VanDerWaalsContact C-N 3.33Å; G69-Q73 WeakPolarHBondContact CA-O 3.15Å; G69-Q73 PolarHBondContact N-O 3.02Å | ||
| 70 | K | 80.4 | Confident | 90.2 | Very high | 197 Ų | 197 | 65.5 Ų | 65.5 | 86% | 0.857 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -40.2 | 172 | -65.8 | 179.9 | 179.6 | 177.3 | 0 | 110.7 | E72 | K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 2.85Å |
| 71 | D | 83.7 | Confident | 90.9 | Very high | 120 Ų | 120 | 66.2 Ų | 66.2 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 30.8 | -172.9 | -32.8 | -87.3 | 0 | 0 | 0 | 111 | G69 Q73 | G69-D71 VanDerWaalsContact C-N 3.33Å; D71-Q73 PolarHBondContact O-N 2.78Å |
| 72 | E | 82.8 | Confident | 91 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 54.6 | -2.6 | -173.9 | -50.5 | -156.2 | 164.1 | 0 | 0 | 117.3 | K70 R146 | K70-E72 VanDerWaalsContact C-N 3.29Å; K70-E72 PolarHBondContact O-N 2.85Å; E72-R146 VanDerWaalsContact CD-NH2 3.34Å; E72-R146 IonicContact OE1-CZ 3.45Å; E72-R146 IonicContact OE1-NH1 2.69Å; E72-R146 PolarHBondContact OE1-NH1 2.99Å; E72-R146 IonicContact OE1-NH2 3.9Å; E72-R146 PolarHBondContact OE1-NH2 2.85Å; E72-R146 IonicContact OE2-NH2 3.15Å |
| 73 | Q | 87.6 | Confident | 90.8 | Very high | 139 Ų | 139 | 66.9 Ų | 66.9 | 65% | 0.65 | 32% | 0.319 | S | S | * | . | trans | -59.8 | 139.3 | 174.4 | -64 | -178.2 | 41.4 | 0 | 0 | 111.6 | G69 D71 K75 | G69-Q73 WeakPolarHBondContact CA-O 3.15Å; G69-Q73 PolarHBondContact N-O 3.02Å; D71-Q73 PolarHBondContact O-N 2.78Å; Q73-K75 PolarHBondContact O-N 2.82Å; Q73-K75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | V | 91.8 | Very high | 90 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 109.7 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 110 | Y66 L68 I77 | Y66-V74 HydrophobicContact CD1-CG1 4.01Å; Y66-V74 HydrophobicContact CD1-CG2 3.94Å; L68-V74 HydrophobicContact CD2-CG2 4.02Å; V74-I77 HydrophobicContact CG1-CD1 3.99Å; V74-I77 HydrophobicContact CG1-CG1 3.46Å; V74-I77 VanDerWaalsContact CG1-CG1 3.46Å |
| 75 | K | 90.8 | Very high | 89.2 | Confident | 117 Ų | 117 | 77.6 Ų | 77.6 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -43.4 | 173.4 | -75.7 | 170.3 | 167.7 | 162.2 | 0 | 111.8 | L67 Q73 E147 | L67-K75 HydrophobicContact CD2-CD 4.47Å; L67-K75 HydrophobicContact CG-CB 4.4Å; L67-K75 HydrophobicContact CG-CD 4.27Å; L67-K75 PolarHBondContact O-N 2.94Å; Q73-K75 PolarHBondContact O-N 2.82Å; Q73-K75 VanDerWaalsContact O-N 3.16Å; K75-E147 IonicContact NZ-OE2 3.67Å |
| 76 | E | 92.1 | Very high | 88.7 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 145.2 | -168.2 | -170.8 | 175.4 | -170.2 | 0 | 0 | 110.6 | L67 R78 F101 N103 | L67-E76 HydrophobicContact CB-CB 4.14Å; L67-E76 HydrophobicContact CD2-CB 4.33Å; L67-E76 PolarHBondContact N-O 3.43Å; L67-E76 PolarHBondContact O-N 3.14Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 3.14Å; E76-R78 IonicContact OE1-NE 2.75Å; E76-R78 PolarHBondContact OE1-NE 2.8Å; E76-R78 IonicContact OE1-NH2 2.69Å; E76-R78 PolarHBondContact OE1-NH2 2.95Å; E76-F101 HydrophobicContact CB-CE1 4.2Å; E76-F101 HydrophobicContact CG-CD1 4.27Å; E76-F101 HydrophobicContact CG-CE1 3.96Å; E76-N103 PolarHBondContact OE2-ND2 3.26Å |
| 77 | I | 94.5 | Very high | 88.1 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.5 | 174.8 | -55.4 | 178 | 0 | 0 | 0 | 108.7 | K64 A65 Y66 V74 | K64-I77 HydrophobicContact CG-CG2 4.04Å; A65-I77 WeakPolarHBondContact O-CA 3.44Å; Y66-I77 HydrophobicContact CD1-CD1 3.83Å; Y66-I77 HydrophobicContact CD1-CG1 3.88Å; Y66-I77 HydrophobicContact CE1-CD1 3.79Å; Y66-I77 HydrophobicContact CE1-CG1 4.32Å; V74-I77 HydrophobicContact CG1-CD1 3.99Å; V74-I77 HydrophobicContact CG1-CG1 3.46Å; V74-I77 VanDerWaalsContact CG1-CG1 3.46Å |
| 78 | R | 94.1 | Very high | 87.8 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.6 | 170.2 | -62.6 | -173.2 | 177 | -137.5 | -3.8 | 110 | A65 E76 V100 F101 | A65-R78 PolarHBondContact N-O 3.23Å; A65-R78 PolarHBondContact O-N 2.92Å; E76-R78 HydrophobicContact CG-CG 4.49Å; E76-R78 IonicContact OE1-CZ 3.14Å; E76-R78 IonicContact OE1-NE 2.75Å; E76-R78 PolarHBondContact OE1-NE 2.8Å; E76-R78 IonicContact OE1-NH2 2.69Å; E76-R78 PolarHBondContact OE1-NH2 2.95Å; R78-V100 HydrophobicContact CB-CG1 3.75Å; R78-V100 WeakPolarHBondContact CD-O 3.4Å; R78-V100 HydrophobicContact CG-CG1 4.25Å; R78-V100 VanDerWaalsContact CZ-O 3.23Å; R78-V100 PolarHBondContact NE-O 3.39Å; R78-V100 PolarHBondContact NH1-O 2.94Å; R78-F101 HydrophobicContact CB-CE1 4.14Å; R78-F101 HydrophobicContact CB-CE2 3.96Å; R78-F101 HydrophobicContact CB-CZ 3.64Å; R78-F101 HydrophobicContact CG-CD1 4.22Å; R78-F101 HydrophobicContact CG-CE1 3.74Å; R78-F101 HydrophobicContact CG-CE2 4.32Å; R78-F101 HydrophobicContact CG-CZ 3.8Å |
| 79 | R | 93.6 | Very high | 87.7 | Confident | 153 Ų | 153 | 81.9 Ų | 81.9 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.2 | 175.2 | -64 | -173 | 84 | -178.8 | 4.1 | 109.3 | V63 K64 T140 | V63-R79 VanDerWaalsContact O-CA 3.31Å; V63-R79 WeakPolarHBondContact O-CA 3.48Å; K64-R79 HydrophobicContact CB-CG 4.08Å; K64-R79 HydrophobicContact CG-CG 3.86Å; R79-T140 PolarHBondContact NH2-OG1 3.25Å |
| 80 | F | 93.8 | Very high | 88 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 10% | 0.096 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.1 | 177.3 | 57.2 | -90.1 | 0 | 0 | 0 | 110.2 | V63 A65 V82 L93 K96 V97 V100 | V63-F80 HydrophobicContact CB-CD2 4.08Å; V63-F80 HydrophobicContact CB-CE1 4.2Å; V63-F80 HydrophobicContact CB-CE2 3.71Å; V63-F80 HydrophobicContact CB-CG 4.5Å; V63-F80 HydrophobicContact CB-CZ 3.78Å; V63-F80 HydrophobicContact CG1-CE1 4.01Å; V63-F80 HydrophobicContact CG1-CE2 4.07Å; V63-F80 HydrophobicContact CG1-CZ 3.63Å; V63-F80 HydrophobicContact CG2-CD2 4.44Å; V63-F80 HydrophobicContact CG2-CE2 3.92Å; V63-F80 HydrophobicContact CG2-CZ 4.33Å; V63-F80 PolarHBondContact N-O 2.72Å; V63-F80 PolarHBondContact O-N 2.69Å; A65-F80 HydrophobicContact CB-CE1 4Å; F80-V82 HydrophobicContact CD2-CG2 3.76Å; F80-V82 HydrophobicContact CE2-CG2 3.6Å; F80-L93 HydrophobicContact CE2-CD1 4.01Å; F80-L93 HydrophobicContact CZ-CD1 4.05Å; F80-K96 HydrophobicContact CD2-CD 3.9Å; F80-K96 HydrophobicContact CD2-CG 4.15Å; F80-K96 HydrophobicContact CE2-CD 3.97Å; F80-K96 HydrophobicContact CE2-CG 4.02Å; F80-V97 HydrophobicContact CE1-CG2 4.39Å; F80-V97 HydrophobicContact CZ-CG2 3.93Å; F80-V100 HydrophobicContact CD1-CB 4.41Å; F80-V100 HydrophobicContact CD1-CG1 3.91Å; F80-V100 HydrophobicContact CD1-CG2 4.15Å; F80-V100 HydrophobicContact CE1-CG1 4.25Å; F80-V100 HydrophobicContact CG-CG2 4.36Å |
| 81 | T | 91.4 | Very high | 88.5 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 150.5 | 172.8 | 46 | 0 | 0 | 0 | 0 | 110.6 | V61 K96 | V61-T81 CarbonylContact O-C 3.59Å; V61-T81 WeakPolarHBondContact O-CA 3.49Å; T81-K96 WeakPolarHBondContact O-CE 3.36Å; T81-K96 PolarHBondContact O-NZ 2.87Å |
| 82 | V | 90 | Very high | 88.9 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.3 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | S60 V61 V63 F80 V86 Y92 L93 K96 | S60-V82 CarbonylContact C-O 3.47Å; S60-V82 WeakPolarHBondContact CA-O 3.49Å; S60-V82 VanDerWaalsContact CB-O 3.23Å; S60-V82 WeakPolarHBondContact CB-O 3.28Å; V61-V82 PolarHBondContact N-O 2.84Å; V61-V82 PolarHBondContact O-N 3.05Å; V63-V82 HydrophobicContact CG2-CB 4.49Å; V63-V82 HydrophobicContact CG2-CG2 3.67Å; F80-V82 HydrophobicContact CD2-CG2 3.76Å; F80-V82 HydrophobicContact CE2-CG2 3.6Å; V82-V86 HydrophobicContact CG1-CG2 4.08Å; V82-Y92 HydrophobicContact CG1-CD1 4.13Å; V82-Y92 HydrophobicContact CG1-CE1 3.78Å; V82-L93 HydrophobicContact CG2-CD1 4.42Å; V82-K96 HydrophobicContact CG2-CD 4.29Å |
| 83 | D | 87.4 | Confident | 89.3 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | trans | -77.7 | 148.7 | -174.5 | -50.4 | -69.1 | 0 | 0 | 0 | 111 | E85 V86 S87 | D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.59Å; D83-V86 HydrophobicContact CB-CG2 4.29Å; D83-V86 CarbonylContact O-C 3.59Å; D83-V86 VanDerWaalsContact O-CG2 3.3Å; D83-V86 WeakPolarHBondContact O-CG2 3.4Å; D83-V86 PolarHBondContact O-N 2.75Å; D83-S87 PolarHBondContact O-N 3.06Å | ||
| 84 | Q | 78.2 | Confident | 89.5 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.4 | -162.6 | -168.3 | -174.1 | -3.8 | 0 | 0 | 114.1 | G58 V86 S87 | G58-Q84 VanDerWaalsContact N-OE1 3.14Å; Q84-V86 PolarHBondContact O-N 3.46Å; Q84-S87 PolarHBondContact O-OG 3.49Å |
| 85 | E | 78.1 | Confident | 89.4 | Confident | 183 Ų | 183 | 70.5 Ų | 70.5 | 86% | 0.855 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.7 | 177.4 | 54.3 | 176.1 | -154.8 | 0 | 0 | 113.9 | D83 | D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.59Å |
| 86 | V | 84.3 | Confident | 89.4 | Confident | 32 Ų | 32 | 67 Ų | 67 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 0.6 | -177.8 | -71.6 | 0 | 0 | 0 | 0 | 113.3 | V82 D83 Q84 C88 S89 Y92 | V82-V86 HydrophobicContact CG1-CG2 4.08Å; D83-V86 HydrophobicContact CB-CG2 4.29Å; D83-V86 CarbonylContact O-C 3.59Å; D83-V86 VanDerWaalsContact O-CG2 3.3Å; D83-V86 WeakPolarHBondContact O-CG2 3.4Å; D83-V86 PolarHBondContact O-N 2.75Å; Q84-V86 PolarHBondContact O-N 3.46Å; V86-C88 VanDerWaalsContact C-N 3.29Å; V86-C88 PolarHBondContact O-N 2.82Å; V86-S89 PolarHBondContact O-N 2.88Å; V86-Y92 HydrophobicContact CB-CD1 3.81Å; V86-Y92 HydrophobicContact CB-CD2 3.93Å; V86-Y92 HydrophobicContact CB-CE1 4.13Å; V86-Y92 HydrophobicContact CB-CE2 4.2Å; V86-Y92 HydrophobicContact CB-CG 3.72Å; V86-Y92 HydrophobicContact CG1-CD2 3.97Å; V86-Y92 HydrophobicContact CG1-CE2 4.3Å; V86-Y92 HydrophobicContact CG1-CG 4.2Å; V86-Y92 HydrophobicContact CG2-CD1 3.85Å; V86-Y92 HydrophobicContact CG2-CD2 4.16Å; V86-Y92 HydrophobicContact CG2-CE1 3.63Å; V86-Y92 HydrophobicContact CG2-CE2 3.92Å; V86-Y92 HydrophobicContact CG2-CG 4.13Å |
| 87 | S | 83.6 | Confident | 89.4 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.7 | -177.2 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | D83 Q84 L133 | D83-S87 PolarHBondContact O-N 3.06Å; Q84-S87 PolarHBondContact O-OG 3.49Å; S87-L133 WeakPolarHBondContact O-CD1 3.21Å |
| 88 | C | 86.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -2.6 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | V86 D126 M130 | V86-C88 VanDerWaalsContact C-N 3.29Å; V86-C88 PolarHBondContact O-N 2.82Å; C88-D126 WeakPolarHBondContact O-CB 3.48Å; C88-M130 HydrophobicContact CB-CG 3.93Å; C88-M130 HydrophobicContact CB-SD 4.27Å |
| 89 | S | 91.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | trans | -88.3 | 112.7 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | V86 E91 Y92 L93 | V86-S89 PolarHBondContact O-N 2.88Å; S89-E91 VanDerWaalsContact C-N 3.28Å; S89-E91 PolarHBondContact O-N 2.93Å; S89-Y92 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact OG-N 3.12Å; S89-L93 WeakPolarHBondContact O-CB 3.46Å; S89-L93 PolarHBondContact O-N 2.77Å | ||
| 90 | F | 91.9 | Very high | 88.8 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 171.9 | 171.9 | -95.5 | 0 | 0 | 0 | 110.9 | L93 S94 L111 F123 S124 D126 L129 | F90-L93 PolarHBondContact O-N 2.86Å; F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.17Å; F90-L111 HydrophobicContact CD2-CD1 4.26Å; F90-L111 HydrophobicContact CE2-CB 4.32Å; F90-L111 HydrophobicContact CE2-CD1 3.77Å; F90-L111 HydrophobicContact CE2-CG 4.2Å; F90-F123 AromaticContact CD2-CD2 3.63Å; F90-F123 HydrophobicContact CD2-CD2 3.63Å; F90-F123 AromaticContact CD2-CE2 3.71Å; F90-F123 HydrophobicContact CD2-CE2 3.71Å; F90-F123 AromaticContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CE2 4.12Å; F90-F123 WeakPolarHBondContact CE2-O 3.44Å; F90-S124 VanDerWaalsContact CD1-O 3.23Å; F90-S124 WeakPolarHBondContact CD1-O 3.3Å; F90-S124 VanDerWaalsContact CE1-O 3.3Å; F90-S124 WeakPolarHBondContact CE1-O 3.37Å; F90-D126 VanDerWaalsContact CB-OD1 3.25Å; F90-D126 WeakPolarHBondContact CB-OD1 3.46Å; F90-D126 PolarHBondContact N-OD1 3.36Å; F90-L129 HydrophobicContact CB-CD2 4.39Å |
| 91 | E | 91.6 | Very high | 88.5 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | -178.6 | -157.7 | -163.6 | -161.7 | 0 | 0 | 111.6 | S89 R95 | S89-E91 VanDerWaalsContact C-N 3.28Å; S89-E91 PolarHBondContact O-N 2.93Å; E91-R95 WeakPolarHBondContact O-CB 3.49Å; E91-R95 WeakPolarHBondContact O-CD 3.47Å; E91-R95 WeakPolarHBondContact O-CG 3.27Å; E91-R95 PolarHBondContact O-N 2.97Å; E91-R95 IonicContact OE1-CZ 3.63Å; E91-R95 VanDerWaalsContact OE1-CZ 3.28Å; E91-R95 IonicContact OE1-NE 3.85Å; E91-R95 PolarHBondContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH2 2.92Å; E91-R95 PolarHBondContact OE1-NH2 2.94Å; E91-R95 IonicContact OE2-CZ 2.72Å; E91-R95 IonicContact OE2-NE 2.68Å; E91-R95 IonicContact OE2-NH1 3.6Å; E91-R95 PolarHBondContact OE2-NH1 3.18Å; E91-R95 IonicContact OE2-NH2 2.67Å; E91-R95 PolarHBondContact OE2-NH2 3.23Å |
| 92 | Y | 91.7 | Very high | 87.9 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 173.6 | 178.4 | -86.5 | 0 | 0 | 0 | 111.4 | V82 V86 S89 S94 R95 K96 | V82-Y92 HydrophobicContact CG1-CD1 4.13Å; V82-Y92 HydrophobicContact CG1-CE1 3.78Å; V86-Y92 HydrophobicContact CB-CD1 3.81Å; V86-Y92 HydrophobicContact CB-CD2 3.93Å; V86-Y92 HydrophobicContact CB-CE1 4.13Å; V86-Y92 HydrophobicContact CB-CE2 4.2Å; V86-Y92 HydrophobicContact CB-CG 3.72Å; V86-Y92 HydrophobicContact CG1-CD2 3.97Å; V86-Y92 HydrophobicContact CG1-CE2 4.3Å; V86-Y92 HydrophobicContact CG1-CG 4.2Å; V86-Y92 HydrophobicContact CG2-CD1 3.85Å; V86-Y92 HydrophobicContact CG2-CD2 4.16Å; V86-Y92 HydrophobicContact CG2-CE1 3.63Å; V86-Y92 HydrophobicContact CG2-CE2 3.92Å; V86-Y92 HydrophobicContact CG2-CG 4.13Å; S89-Y92 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact OG-N 3.12Å; Y92-S94 PolarHBondContact O-N 3.48Å; Y92-R95 PolarHBondContact O-N 3.38Å; Y92-K96 HydrophobicContact CD1-CD 4.43Å; Y92-K96 HydrophobicContact CE1-CB 4.35Å; Y92-K96 HydrophobicContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.23Å; Y92-K96 PolarHBondContact O-N 2.83Å; Y92-K96 PolarHBondContact OH-NZ 2.9Å |
| 93 | L | 91.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | -179.1 | -179.2 | 60.5 | 0 | 0 | 0 | 111.7 | V63 F80 V82 S89 F90 K96 V97 L111 F123 L129 F141 L143 | V63-L93 HydrophobicContact CG1-CD1 4.47Å; V63-L93 HydrophobicContact CG2-CD1 4.1Å; F80-L93 HydrophobicContact CE2-CD1 4.01Å; F80-L93 HydrophobicContact CZ-CD1 4.05Å; V82-L93 HydrophobicContact CG2-CD1 4.42Å; S89-L93 WeakPolarHBondContact O-CB 3.46Å; S89-L93 PolarHBondContact O-N 2.77Å; F90-L93 PolarHBondContact O-N 2.86Å; L93-K96 PolarHBondContact O-N 2.84Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 2.81Å; L93-L111 HydrophobicContact CG-CD1 4.42Å; L93-F123 HydrophobicContact CD2-CE2 4.14Å; L93-F123 HydrophobicContact CD2-CZ 4.09Å; L93-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CD2-CD1 3.69Å; L93-L129 HydrophobicContact CD2-CD2 3.85Å; L93-L129 HydrophobicContact CD2-CG 4.47Å; L93-F141 HydrophobicContact CD2-CE1 4.25Å; L93-L143 HydrophobicContact CD1-CD2 4.14Å; L93-L143 HydrophobicContact CD2-CD2 4.26Å; L93-L143 HydrophobicContact CG-CD2 4.29Å |
| 94 | S | 91.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | F90 Y92 K96 V97 A98 | F90-S94 WeakPolarHBondContact O-CB 3.34Å; F90-S94 PolarHBondContact O-N 3.17Å; Y92-S94 PolarHBondContact O-N 3.48Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 2.89Å; S94-V97 PolarHBondContact O-N 3.19Å; S94-A98 PolarHBondContact O-N 3.09Å |
| 95 | R | 89.8 | Confident | 85.5 | Confident | 156 Ų | 156 | 57.6 Ų | 57.6 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.4 | -42.3 | 172.9 | -70.8 | 168.9 | 179 | 177.4 | -0 | 111.7 | E91 Y92 A98 A99 | E91-R95 WeakPolarHBondContact O-CB 3.49Å; E91-R95 WeakPolarHBondContact O-CD 3.47Å; E91-R95 WeakPolarHBondContact O-CG 3.27Å; E91-R95 PolarHBondContact O-N 2.97Å; E91-R95 IonicContact OE1-CZ 3.63Å; E91-R95 VanDerWaalsContact OE1-CZ 3.28Å; E91-R95 IonicContact OE1-NE 3.85Å; E91-R95 PolarHBondContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH2 2.92Å; E91-R95 PolarHBondContact OE1-NH2 2.94Å; E91-R95 IonicContact OE2-CZ 2.72Å; E91-R95 IonicContact OE2-NE 2.68Å; E91-R95 IonicContact OE2-NH1 3.6Å; E91-R95 PolarHBondContact OE2-NH1 3.18Å; E91-R95 IonicContact OE2-NH2 2.67Å; E91-R95 PolarHBondContact OE2-NH2 3.23Å; Y92-R95 PolarHBondContact O-N 3.38Å; R95-A98 PolarHBondContact O-N 2.92Å; R95-A99 WeakPolarHBondContact O-CB 3.27Å; R95-A99 PolarHBondContact O-N 2.92Å |
| 96 | K | 91.6 | Very high | 84.7 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 179.1 | -165.3 | 165.7 | -167 | 172.2 | 0 | 112 | F80 T81 V82 Y92 L93 S94 A99 V100 | F80-K96 HydrophobicContact CD2-CD 3.9Å; F80-K96 HydrophobicContact CD2-CG 4.15Å; F80-K96 HydrophobicContact CE2-CD 3.97Å; F80-K96 HydrophobicContact CE2-CG 4.02Å; T81-K96 WeakPolarHBondContact O-CE 3.36Å; T81-K96 PolarHBondContact O-NZ 2.87Å; V82-K96 HydrophobicContact CG2-CD 4.29Å; Y92-K96 HydrophobicContact CD1-CD 4.43Å; Y92-K96 HydrophobicContact CE1-CB 4.35Å; Y92-K96 HydrophobicContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact CE1-CD 3.47Å; Y92-K96 VanDerWaalsContact O-CB 3.27Å; Y92-K96 WeakPolarHBondContact O-CB 3.23Å; Y92-K96 PolarHBondContact O-N 2.83Å; Y92-K96 PolarHBondContact OH-NZ 2.9Å; L93-K96 PolarHBondContact O-N 2.84Å; S94-K96 VanDerWaalsContact C-N 3.3Å; S94-K96 PolarHBondContact O-N 2.89Å; K96-A99 PolarHBondContact O-N 2.95Å; K96-V100 HydrophobicContact CG-CG2 4.29Å; K96-V100 WeakPolarHBondContact O-CB 3.4Å; K96-V100 WeakPolarHBondContact O-CG2 3.1Å; K96-V100 PolarHBondContact O-N 2.85Å |
| 97 | V | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 170.9 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | F80 L93 S94 A99 V100 F101 L104 L111 L143 I145 | F80-V97 HydrophobicContact CE1-CG2 4.39Å; F80-V97 HydrophobicContact CZ-CG2 3.93Å; L93-V97 WeakPolarHBondContact O-CB 3.39Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 2.81Å; S94-V97 PolarHBondContact O-N 3.19Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 3Å; V97-V100 PolarHBondContact O-N 3.37Å; V97-F101 HydrophobicContact CG1-CD2 4.13Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 2.96Å; V97-L104 HydrophobicContact CG1-CD1 4.11Å; V97-L111 HydrophobicContact CG1-CD2 4.28Å; V97-L111 HydrophobicContact CG2-CD2 4.48Å; V97-L143 HydrophobicContact CG2-CD2 3.69Å; V97-I145 HydrophobicContact CG1-CD1 3.46Å; V97-I145 VanDerWaalsContact CG1-CD1 3.46Å; V97-I145 HydrophobicContact CG1-CG1 4.08Å; V97-I145 HydrophobicContact CG2-CD1 4.4Å |
| 98 | A | 89.1 | Confident | 83.7 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S94 R95 | S94-A98 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 2.92Å |
| 99 | A | 88.6 | Confident | 83.6 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.6 | -35.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R95 K96 V97 | R95-A99 WeakPolarHBondContact O-CB 3.27Å; R95-A99 PolarHBondContact O-N 2.92Å; K96-A99 PolarHBondContact O-N 2.95Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 3Å |
| 100 | V | 90.7 | Very high | 83.6 | Confident | 35 Ų | 35 | 55 Ų | 55 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.8 | -31.4 | 179.9 | 165.2 | 0 | 0 | 0 | 0 | 111.9 | R78 F80 K96 V97 | R78-V100 HydrophobicContact CB-CG1 3.75Å; R78-V100 WeakPolarHBondContact CD-O 3.4Å; R78-V100 HydrophobicContact CG-CG1 4.25Å; R78-V100 VanDerWaalsContact CZ-O 3.23Å; R78-V100 PolarHBondContact NE-O 3.39Å; R78-V100 PolarHBondContact NH1-O 2.94Å; F80-V100 HydrophobicContact CD1-CB 4.41Å; F80-V100 HydrophobicContact CD1-CG1 3.91Å; F80-V100 HydrophobicContact CD1-CG2 4.15Å; F80-V100 HydrophobicContact CE1-CG1 4.25Å; F80-V100 HydrophobicContact CG-CG2 4.36Å; K96-V100 HydrophobicContact CG-CG2 4.29Å; K96-V100 WeakPolarHBondContact O-CB 3.4Å; K96-V100 WeakPolarHBondContact O-CG2 3.1Å; K96-V100 PolarHBondContact O-N 2.85Å; V97-V100 PolarHBondContact O-N 3.37Å |
| 101 | F | 88.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -106.7 | 95.4 | 176.1 | -70.6 | -96.3 | 0 | 0 | 0 | 110.9 | A65 L67 E76 R78 V97 N103 L104 I145 | A65-F101 HydrophobicContact CB-CE2 3.55Å; A65-F101 HydrophobicContact CB-CZ 3.71Å; L67-F101 HydrophobicContact CB-CD1 4.14Å; L67-F101 HydrophobicContact CB-CE1 3.77Å; L67-F101 HydrophobicContact CB-CZ 4.48Å; L67-F101 HydrophobicContact CD2-CD1 4.08Å; E76-F101 HydrophobicContact CB-CE1 4.2Å; E76-F101 HydrophobicContact CG-CD1 4.27Å; E76-F101 HydrophobicContact CG-CE1 3.96Å; R78-F101 HydrophobicContact CB-CE1 4.14Å; R78-F101 HydrophobicContact CB-CE2 3.96Å; R78-F101 HydrophobicContact CB-CZ 3.64Å; R78-F101 HydrophobicContact CG-CD1 4.22Å; R78-F101 HydrophobicContact CG-CE1 3.74Å; R78-F101 HydrophobicContact CG-CE2 4.32Å; R78-F101 HydrophobicContact CG-CZ 3.8Å; V97-F101 HydrophobicContact CG1-CD2 4.13Å; V97-F101 WeakPolarHBondContact O-CD2 3.37Å; V97-F101 PolarHBondContact O-N 2.96Å; F101-N103 PolarHBondContact O-N 3.34Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.84Å; F101-L104 HydrophobicContact CB-CG 3.96Å; F101-L104 HydrophobicContact CG-CD1 4.32Å; F101-L104 PolarHBondContact O-N 3.34Å; F101-I145 HydrophobicContact CD2-CD1 3.98Å; F101-I145 HydrophobicContact CE2-CD1 3.53Å; F101-I145 HydrophobicContact CZ-CD1 3.89Å | ||
| 102 | S | 79.3 | Confident | 83.9 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -53.1 | -24.8 | 175.4 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | L104 S105 | S102-L104 PolarHBondContact O-N 3.36Å; S102-S105 PolarHBondContact O-OG 3.34Å |
| 103 | N | 72.4 | Confident | 84.1 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -71.5 | -7.9 | 176.6 | -62.4 | -37.5 | 0 | 0 | 0 | 113.9 | L67 E76 F101 | L67-N103 HydrophobicContact CD2-CB 4.47Å; E76-N103 PolarHBondContact OE2-ND2 3.26Å; F101-N103 PolarHBondContact O-N 3.34Å |
| 104 | L | 71.6 | Confident | 84.1 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -112.6 | 3.6 | -179 | -60.7 | 179.6 | 0 | 0 | 0 | 113.5 | L67 V97 F101 S102 G106 S107 C109 I145 E147 | L67-L104 HydrophobicContact CD1-CD1 4.35Å; L67-L104 HydrophobicContact CD1-CD2 4.04Å; V97-L104 HydrophobicContact CG1-CD1 4.11Å; F101-L104 HydrophobicContact CB-CB 4.38Å; F101-L104 HydrophobicContact CB-CD1 3.84Å; F101-L104 HydrophobicContact CB-CG 3.96Å; F101-L104 HydrophobicContact CG-CD1 4.32Å; F101-L104 PolarHBondContact O-N 3.34Å; S102-L104 PolarHBondContact O-N 3.36Å; L104-G106 PolarHBondContact O-N 3.23Å; L104-S107 PolarHBondContact O-N 3.38Å; L104-C109 HydrophobicContact CD1-CB 4.2Å; L104-I145 HydrophobicContact CD1-CG2 3.86Å; L104-E147 HydrophobicContact CD2-CB 4.34Å; L104-E147 HydrophobicContact CD2-CG 4.38Å |
| 105 | S | 60.3 | Low | 84.2 | Confident | 105 Ų | 105 | 50.5 Ų | 50.5 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 14.5 | -167 | 71.2 | 0 | 0 | 0 | 0 | 116.6 | S102 | S102-S105 PolarHBondContact O-OG 3.34Š|
| 106 | G | 60.5 | Low | 84.2 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.8 | 4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L104 | L104-G106 PolarHBondContact O-N 3.23Š|
| 107 | S | 71.5 | Confident | 84.2 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -105.2 | 138.8 | 176 | -70 | 0 | 0 | 0 | 0 | 109 | L104 E147 | L104-S107 PolarHBondContact O-N 3.38Å; S107-E147 PolarHBondContact OG-OE1 2.97Å |
| 108 | T | 75.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 57 Ų | 57 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.3 | 165 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | R148 | T108-R148 CarbonylContact O-C 3.6Å; T108-R148 WeakPolarHBondContact O-CA 3.43Å; T108-R148 WeakPolarHBondContact O-CB 3.13Å; T108-R148 PolarHBondContact O-N 3.38Å; T108-R148 VanDerWaalsContact O-O 3.13Å; T108-R148 PolarHBondContact OG1-O 3.11Å |
| 109 | C | 85.8 | Confident | 84.3 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.2 | 179.8 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | L104 I145 | L104-C109 HydrophobicContact CD1-CB 4.2Å; C109-I145 HydrophobicContact CB-CG2 3.84Å |
| 110 | S | 91.4 | Very high | 84.5 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.8 | 171.7 | -70 | 0 | 0 | 0 | 0 | 109.1 | F112 I145 R146 | S110-F112 VanDerWaalsContact CB-CE2 3.42Å; S110-F112 WeakPolarHBondContact O-CD2 3.47Å; S110-F112 VanDerWaalsContact O-CE2 3.27Å; S110-F112 WeakPolarHBondContact O-CE2 3.3Å; S110-I145 WeakPolarHBondContact O-CA 3.37Å; S110-R146 PolarHBondContact N-O 3.38Å; S110-R146 PolarHBondContact O-N 3.32Å |
| 111 | L | 94.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142.6 | 179.4 | -60.3 | -169.8 | 0 | 0 | 0 | 110.1 | F90 L93 V97 A122 F123 L143 I145 | F90-L111 HydrophobicContact CD2-CD1 4.26Å; F90-L111 HydrophobicContact CE2-CB 4.32Å; F90-L111 HydrophobicContact CE2-CD1 3.77Å; F90-L111 HydrophobicContact CE2-CG 4.2Å; L93-L111 HydrophobicContact CG-CD1 4.42Å; V97-L111 HydrophobicContact CG1-CD2 4.28Å; V97-L111 HydrophobicContact CG2-CD2 4.48Å; L111-A122 WeakPolarHBondContact O-CA 3.35Å; L111-F123 HydrophobicContact CB-CD1 4.15Å; L111-F123 HydrophobicContact CB-CD2 4.48Å; L111-F123 HydrophobicContact CB-CE1 3.68Å; L111-F123 HydrophobicContact CB-CE2 4.03Å; L111-F123 HydrophobicContact CB-CZ 3.61Å; L111-F123 HydrophobicContact CD1-CE2 4.06Å; L111-F123 HydrophobicContact CD1-CZ 4.02Å; L111-F123 HydrophobicContact CG-CZ 4.47Å; L111-F123 PolarHBondContact O-N 3.06Å; L111-L143 HydrophobicContact CB-CD1 4.04Å; L111-L143 HydrophobicContact CD2-CD1 4.31Å; L111-I145 HydrophobicContact CD2-CG1 3.89Å; L111-I145 HydrophobicContact CD2-CG2 4.27Å |
| 112 | F | 95.4 | Very high | 85 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.8 | -176.9 | -52.3 | -105.2 | 0 | 0 | 0 | 110.6 | S110 L120 V121 A122 Y144 R146 | S110-F112 VanDerWaalsContact CB-CE2 3.42Å; S110-F112 WeakPolarHBondContact O-CD2 3.47Å; S110-F112 VanDerWaalsContact O-CE2 3.27Å; S110-F112 WeakPolarHBondContact O-CE2 3.3Å; F112-L120 HydrophobicContact CB-CB 4.48Å; F112-L120 HydrophobicContact CB-CD2 4.22Å; F112-L120 HydrophobicContact CD1-CB 4.34Å; F112-L120 WeakPolarHBondContact CD1-O 3.22Å; F112-V121 CarbonylContact C-O 3.6Å; F112-V121 WeakPolarHBondContact CA-O 3.48Å; F112-V121 WeakPolarHBondContact CB-O 3.34Å; F112-A122 VanDerWaalsContact CD1-CA 3.5Å; F112-A122 HydrophobicContact CD1-CB 3.67Å; F112-A122 HydrophobicContact CE1-CB 3.61Å; F112-A122 HydrophobicContact CZ-CB 4.42Å; F112-Y144 PolarHBondContact N-O 3.49Å; F112-Y144 PolarHBondContact O-N 3.25Å; F112-R146 HydrophobicContact CD2-CG 4.03Å; F112-R146 HydrophobicContact CE2-CB 3.66Å; F112-R146 HydrophobicContact CE2-CG 3.44Å; F112-R146 VanDerWaalsContact CE2-CG 3.44Å; F112-R146 HydrophobicContact CZ-CB 4.27Å; F112-R146 HydrophobicContact CZ-CG 3.96Å |
| 113 | Y | 94.8 | Very high | 85.7 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -179 | 165 | 64.1 | -90.4 | 0 | 0 | 0 | 110.4 | D115 L120 V121 F123 F135 | Y113-D115 HydrophobicContact CE2-CB 4.2Å; Y113-L120 WeakPolarHBondContact O-CA 3.38Å; Y113-V121 HydrophobicContact CD1-CB 4.33Å; Y113-V121 HydrophobicContact CD2-CB 4.45Å; Y113-V121 HydrophobicContact CE1-CB 3.92Å; Y113-V121 HydrophobicContact CE1-CG1 3.76Å; Y113-V121 HydrophobicContact CE2-CB 4.03Å; Y113-V121 HydrophobicContact CE2-CG1 4.44Å; Y113-V121 HydrophobicContact CE2-CG2 4.21Å; Y113-V121 PolarHBondContact N-O 3.38Å; Y113-V121 PolarHBondContact O-N 2.87Å; Y113-F123 AromaticContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CE1 4.37Å; Y113-F135 HydrophobicContact CD2-CD2 4.22Å; Y113-F135 AromaticContact CE2-CD2 3.79Å; Y113-F135 HydrophobicContact CE2-CD2 3.79Å; Y113-F135 AromaticContact CE2-CE2 3.87Å; Y113-F135 HydrophobicContact CE2-CE2 3.87Å |
| 114 | K | 93.3 | Very high | 86.8 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 37% | 0.365 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.7 | 163.9 | -79.2 | -171.4 | 174.7 | -68.6 | 0 | 109.8 | G118 D119 L120 Y144 | K114-G118 WeakPolarHBondContact CD-O 3.37Å; K114-G118 PolarHBondContact NZ-O 3.46Å; K114-D119 VanDerWaalsContact CA-O 3.3Å; K114-D119 WeakPolarHBondContact CA-O 3.07Å; K114-L120 HydrophobicContact CD-CD2 4.47Å; K114-L120 HydrophobicContact CG-CD2 3.74Å; K114-L120 HydrophobicContact CG-CG 4.33Å; K114-Y144 HydrophobicContact CB-CE2 4.21Å; K114-Y144 HydrophobicContact CD-CE2 4.05Å; K114-Y144 HydrophobicContact CG-CD2 4.26Å; K114-Y144 HydrophobicContact CG-CE2 3.72Å |
| 115 | D | 92.7 | Very high | 87.7 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | trans | -82.7 | -148.8 | -179.6 | 53.7 | 25.4 | 0 | 0 | 0 | 111.7 | Y113 D117 G118 D119 V121 | Y113-D115 HydrophobicContact CE2-CB 4.2Å; D115-D117 PolarHBondContact OD1-N 3.4Å; D115-G118 WeakPolarHBondContact OD1-CA 3.41Å; D115-G118 PolarHBondContact OD1-N 3.07Å; D115-D119 PolarHBondContact OD1-N 3.12Å; D115-V121 HydrophobicContact CB-CG2 4.15Å; D115-V121 WeakPolarHBondContact OD2-CG2 3.29Å | ||
| 116 | E | 90.2 | Very high | 89.2 | Confident | 162 Ų | 162 | 57.3 Ų | 57.3 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -88.7 | -38.6 | -179.8 | 60.3 | -167.5 | 145.4 | 0 | 0 | 114.2 | G118 F135 | E116-G118 PolarHBondContact O-N 3.01Å; E116-F135 HydrophobicContact CB-CE1 4.38Å |
| 117 | D | 91.6 | Very high | 90.7 | Very high | 148 Ų | 148 | 58.8 Ų | 58.8 | 79% | 0.791 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -68.2 | -26.3 | 170 | -61.6 | -66.2 | 0 | 0 | 0 | 111.8 | D115 | D115-D117 PolarHBondContact OD1-N 3.4Š|
| 118 | G | 88.8 | Confident | 91.7 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | trans | 101.7 | 16.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K114 D115 E116 | K114-G118 WeakPolarHBondContact CD-O 3.37Å; K114-G118 PolarHBondContact NZ-O 3.46Å; D115-G118 WeakPolarHBondContact OD1-CA 3.41Å; D115-G118 PolarHBondContact OD1-N 3.07Å; E116-G118 PolarHBondContact O-N 3.01Å | ||
| 119 | D | 93.4 | Very high | 92.5 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | trans | -78.3 | 162.6 | 179.5 | -89.2 | -31.3 | 0 | 0 | 0 | 112.7 | K114 D115 V121 | K114-D119 VanDerWaalsContact CA-O 3.3Å; K114-D119 WeakPolarHBondContact CA-O 3.07Å; D115-D119 PolarHBondContact OD1-N 3.12Å; D119-V121 PolarHBondContact O-N 2.87Å | ||
| 120 | L | 92.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 79.2 | -177.6 | -77.6 | 168.5 | 0 | 0 | 0 | 110.8 | L68 F112 Y113 K114 A122 Y144 | L68-L120 HydrophobicContact CD1-CD1 4.17Å; F112-L120 HydrophobicContact CB-CB 4.48Å; F112-L120 HydrophobicContact CB-CD2 4.22Å; F112-L120 HydrophobicContact CD1-CB 4.34Å; F112-L120 WeakPolarHBondContact CD1-O 3.22Å; Y113-L120 WeakPolarHBondContact O-CA 3.38Å; K114-L120 HydrophobicContact CD-CD2 4.47Å; K114-L120 HydrophobicContact CG-CD2 3.74Å; K114-L120 HydrophobicContact CG-CG 4.33Å; L120-A122 PolarHBondContact O-N 2.88Å; L120-Y144 HydrophobicContact CD2-CD1 4.23Å; L120-Y144 HydrophobicContact CD2-CD2 3.66Å; L120-Y144 HydrophobicContact CD2-CE2 4.31Å; L120-Y144 HydrophobicContact CD2-CG 3.62Å |
| 121 | V | 94.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 120.9 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 110 | F112 Y113 D115 D119 | F112-V121 CarbonylContact C-O 3.6Å; F112-V121 WeakPolarHBondContact CA-O 3.48Å; F112-V121 WeakPolarHBondContact CB-O 3.34Å; Y113-V121 HydrophobicContact CD1-CB 4.33Å; Y113-V121 HydrophobicContact CD2-CB 4.45Å; Y113-V121 HydrophobicContact CE1-CB 3.92Å; Y113-V121 HydrophobicContact CE1-CG1 3.76Å; Y113-V121 HydrophobicContact CE2-CB 4.03Å; Y113-V121 HydrophobicContact CE2-CG1 4.44Å; Y113-V121 HydrophobicContact CE2-CG2 4.21Å; Y113-V121 PolarHBondContact N-O 3.38Å; Y113-V121 PolarHBondContact O-N 2.87Å; D115-V121 HydrophobicContact CB-CG2 4.15Å; D115-V121 WeakPolarHBondContact OD2-CG2 3.29Å; D119-V121 PolarHBondContact O-N 2.87Å |
| 122 | A | 94.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 44% | 0.438 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 149.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L111 F112 L120 | L111-A122 WeakPolarHBondContact O-CA 3.35Å; F112-A122 VanDerWaalsContact CD1-CA 3.5Å; F112-A122 HydrophobicContact CD1-CB 3.67Å; F112-A122 HydrophobicContact CE1-CB 3.61Å; F112-A122 HydrophobicContact CZ-CB 4.42Å; L120-A122 PolarHBondContact O-N 2.88Å |
| 123 | F | 94.9 | Very high | 92 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.8 | 170.1 | 68.5 | -84 | 0 | 0 | 0 | 112.2 | F90 L93 L111 Y113 E128 L129 F141 L143 | F90-F123 AromaticContact CD2-CD2 3.63Å; F90-F123 HydrophobicContact CD2-CD2 3.63Å; F90-F123 AromaticContact CD2-CE2 3.71Å; F90-F123 HydrophobicContact CD2-CE2 3.71Å; F90-F123 AromaticContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CD2 4Å; F90-F123 HydrophobicContact CE2-CE2 4.12Å; F90-F123 WeakPolarHBondContact CE2-O 3.44Å; L93-F123 HydrophobicContact CD2-CE2 4.14Å; L93-F123 HydrophobicContact CD2-CZ 4.09Å; L111-F123 HydrophobicContact CB-CD1 4.15Å; L111-F123 HydrophobicContact CB-CD2 4.48Å; L111-F123 HydrophobicContact CB-CE1 3.68Å; L111-F123 HydrophobicContact CB-CE2 4.03Å; L111-F123 HydrophobicContact CB-CZ 3.61Å; L111-F123 HydrophobicContact CD1-CE2 4.06Å; L111-F123 HydrophobicContact CD1-CZ 4.02Å; L111-F123 HydrophobicContact CG-CZ 4.47Å; L111-F123 PolarHBondContact O-N 3.06Å; Y113-F123 AromaticContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CD1 3.85Å; Y113-F123 HydrophobicContact CD1-CE1 4.37Å; F123-E128 HydrophobicContact CB-CB 3.55Å; F123-L129 HydrophobicContact CD2-CB 3.9Å; F123-L129 HydrophobicContact CD2-CD1 4.42Å; F123-L129 HydrophobicContact CE2-CB 3.95Å; F123-L129 HydrophobicContact CE2-CD1 3.7Å; F123-L129 HydrophobicContact CE2-CD2 4.49Å; F123-L129 HydrophobicContact CE2-CG 4.24Å; F123-L129 HydrophobicContact CZ-CD1 4.02Å; F123-F141 HydrophobicContact CE1-CZ 4.28Å; F123-F141 HydrophobicContact CZ-CE1 4.21Å; F123-F141 HydrophobicContact CZ-CZ 4.24Å; F123-L143 HydrophobicContact CE1-CD1 3.59Å; F123-L143 HydrophobicContact CZ-CD1 3.52Å |
| 124 | S | 93.9 | Very high | 91.6 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | trans | -142.4 | -5.9 | -171.8 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | F90 E128 | F90-S124 VanDerWaalsContact CD1-O 3.23Å; F90-S124 WeakPolarHBondContact CD1-O 3.3Å; F90-S124 VanDerWaalsContact CE1-O 3.3Å; F90-S124 WeakPolarHBondContact CE1-O 3.37Å; S124-E128 WeakPolarHBondContact CA-OE2 3.16Å; S124-E128 PolarHBondContact N-OE2 3Å; S124-E128 PolarHBondContact OG-OE2 3.47Å | ||
| 125 | S | 92.2 | Very high | 91.1 | Very high | 41 Ų | 41 | 65.1 Ų | 65.1 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -130.3 | 166.7 | -178.1 | 63 | 0 | 0 | 0 | 0 | 112.5 | E128 L129 | S125-E128 WeakPolarHBondContact CB-OE2 3.3Å; S125-E128 PolarHBondContact N-OE2 3Å; S125-E128 WeakPolarHBondContact OG-CB 2.88Å; S125-E128 WeakPolarHBondContact OG-CG 3.37Å; S125-E128 PolarHBondContact OG-N 2.67Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.11Å; S125-L129 VanDerWaalsContact O-N 3.08Å |
| 126 | D | 91.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 177.4 | -72.7 | 13.2 | 0 | 0 | 0 | 111.4 | C88 F90 L129 M130 | C88-D126 WeakPolarHBondContact O-CB 3.48Å; F90-D126 VanDerWaalsContact CB-OD1 3.25Å; F90-D126 WeakPolarHBondContact CB-OD1 3.46Å; F90-D126 PolarHBondContact N-OD1 3.36Å; D126-L129 PolarHBondContact O-N 3.39Å; D126-M130 WeakPolarHBondContact O-CG 3.46Å; D126-M130 PolarHBondContact O-N 2.92Å |
| 127 | D | 90.2 | Very high | 90.2 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.9 | -43.4 | 178.2 | -64.3 | -63.6 | 0 | 0 | 0 | 112.7 | L129 M130 M131 | D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 PolarHBondContact O-N 3.3Å; D127-M130 HydrophobicContact CB-CE 4.48Å; D127-M130 PolarHBondContact O-N 3.36Å; D127-M130 VanDerWaalsContact O-N 3.15Å; D127-M130 WeakPolarHBondContact OD1-CE 3.38Å; D127-M131 PolarHBondContact O-N 3.31Å |
| 128 | E | 94.3 | Very high | 89.6 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 172.9 | -65.1 | 164.3 | 133.5 | 0 | 0 | 111.8 | F123 S124 S125 M131 G132 | F123-E128 HydrophobicContact CB-CB 3.55Å; S124-E128 WeakPolarHBondContact CA-OE2 3.16Å; S124-E128 PolarHBondContact N-OE2 3Å; S124-E128 PolarHBondContact OG-OE2 3.47Å; S125-E128 WeakPolarHBondContact CB-OE2 3.3Å; S125-E128 PolarHBondContact N-OE2 3Å; S125-E128 WeakPolarHBondContact OG-CB 2.88Å; S125-E128 WeakPolarHBondContact OG-CG 3.37Å; S125-E128 PolarHBondContact OG-N 2.67Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; E128-M131 HydrophobicContact CB-CE 4.32Å; E128-M131 HydrophobicContact CG-CE 4.08Å; E128-M131 PolarHBondContact O-N 3.34Å; E128-G132 PolarHBondContact O-N 2.87Å |
| 129 | L | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 171.6 | 173.4 | 57 | 0 | 0 | 0 | 111.3 | F90 L93 F123 S125 D126 D127 M131 G132 L133 F141 | F90-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CB-CD2 4.39Å; L93-L129 HydrophobicContact CD2-CD1 3.69Å; L93-L129 HydrophobicContact CD2-CD2 3.85Å; L93-L129 HydrophobicContact CD2-CG 4.47Å; F123-L129 HydrophobicContact CD2-CB 3.9Å; F123-L129 HydrophobicContact CD2-CD1 4.42Å; F123-L129 HydrophobicContact CE2-CB 3.95Å; F123-L129 HydrophobicContact CE2-CD1 3.7Å; F123-L129 HydrophobicContact CE2-CD2 4.49Å; F123-L129 HydrophobicContact CE2-CG 4.24Å; F123-L129 HydrophobicContact CZ-CD1 4.02Å; S125-L129 WeakPolarHBondContact O-CB 3.28Å; S125-L129 PolarHBondContact O-N 3.11Å; S125-L129 VanDerWaalsContact O-N 3.08Å; D126-L129 PolarHBondContact O-N 3.39Å; D127-L129 VanDerWaalsContact C-N 3.29Å; D127-L129 PolarHBondContact O-N 3.3Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 3.05Å; L129-G132 PolarHBondContact O-N 2.69Å; L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.97Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 2.68Å; L129-F141 HydrophobicContact CD1-CE1 3.85Å; L129-F141 HydrophobicContact CD1-CZ 4Å |
| 130 | M | 89.1 | Confident | 89 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 174 | -73.9 | -170.8 | -68.3 | 0 | 0 | 112.4 | C88 D126 D127 L133 S134 | C88-M130 HydrophobicContact CB-CG 3.93Å; C88-M130 HydrophobicContact CB-SD 4.27Å; D126-M130 WeakPolarHBondContact O-CG 3.46Å; D126-M130 PolarHBondContact O-N 2.92Å; D127-M130 HydrophobicContact CB-CE 4.48Å; D127-M130 PolarHBondContact O-N 3.36Å; D127-M130 VanDerWaalsContact O-N 3.15Å; D127-M130 WeakPolarHBondContact OD1-CE 3.38Å; M130-L133 PolarHBondContact O-N 3.46Å; M130-S134 PolarHBondContact O-N 3.47Å |
| 131 | M | 89.7 | Confident | 89 | Confident | 106 Ų | 106 | 58.3 Ų | 58.3 | 52% | 0.522 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 170 | -67.2 | -166.3 | -71.2 | 0 | 0 | 111.1 | D127 E128 L129 L133 S134 F135 | D127-M131 PolarHBondContact O-N 3.31Å; E128-M131 HydrophobicContact CB-CE 4.32Å; E128-M131 HydrophobicContact CG-CE 4.08Å; E128-M131 PolarHBondContact O-N 3.34Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 3.05Å; M131-L133 VanDerWaalsContact C-N 3.3Å; M131-L133 PolarHBondContact O-N 2.8Å; M131-S134 WeakPolarHBondContact O-CB 3.46Å; M131-S134 PolarHBondContact O-N 2.97Å; M131-S134 VanDerWaalsContact O-N 3.11Å; M131-S134 PolarHBondContact O-OG 3.3Å; M131-F135 VanDerWaalsContact O-CD2 3.3Å; M131-F135 WeakPolarHBondContact O-CD2 3.43Å |
| 132 | G | 88.1 | Confident | 89 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E128 L129 S134 F135 F141 | E128-G132 PolarHBondContact O-N 2.87Å; L129-G132 PolarHBondContact O-N 2.69Å; G132-S134 VanDerWaalsContact C-N 3.27Å; G132-S134 PolarHBondContact O-N 3Å; G132-F135 PolarHBondContact O-N 3Å; G132-F141 WeakPolarHBondContact O-CE2 3.45Å |
| 133 | L | 89.2 | Confident | 89 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -22 | 177.7 | -75 | 168.9 | 0 | 0 | 0 | 113.4 | V61 S87 L129 M130 M131 F135 V136 F141 | V61-L133 HydrophobicContact CG1-CD2 4.17Å; V61-L133 HydrophobicContact CG2-CD2 4.45Å; S87-L133 WeakPolarHBondContact O-CD1 3.21Å; L129-L133 HydrophobicContact CD1-CD1 4.06Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.97Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 2.68Å; M130-L133 PolarHBondContact O-N 3.46Å; M131-L133 VanDerWaalsContact C-N 3.3Å; M131-L133 PolarHBondContact O-N 2.8Å; L133-F135 PolarHBondContact O-N 3.19Å; L133-V136 HydrophobicContact CD2-CG2 4Å; L133-V136 WeakPolarHBondContact O-CB 3.25Å; L133-V136 WeakPolarHBondContact O-CG2 3.41Å; L133-V136 PolarHBondContact O-N 3.33Å; L133-F141 HydrophobicContact CD2-CB 4.35Å; L133-F141 HydrophobicContact CD2-CD1 4.28Å; L133-F141 HydrophobicContact CD2-CD2 4.16Å; L133-F141 HydrophobicContact CD2-CG 4.02Å |
| 134 | S | 86.5 | Confident | 89 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.8 | -27.7 | 173.3 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | M130 M131 G132 V136 | M130-S134 PolarHBondContact O-N 3.47Å; M131-S134 WeakPolarHBondContact O-CB 3.46Å; M131-S134 PolarHBondContact O-N 2.97Å; M131-S134 VanDerWaalsContact O-N 3.11Å; M131-S134 PolarHBondContact O-OG 3.3Å; G132-S134 VanDerWaalsContact C-N 3.27Å; G132-S134 PolarHBondContact O-N 3Å; S134-V136 VanDerWaalsContact C-N 3.27Å; S134-V136 PolarHBondContact O-N 3.17Å |
| 135 | F | 82.8 | Confident | 89.1 | Confident | 64 Ų | 64 | 55 Ų | 55 | 28% | 0.281 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 11.2 | 177.7 | -60 | -85 | 0 | 0 | 0 | 113.9 | Y113 E116 M131 G132 L133 K137 | Y113-F135 HydrophobicContact CD2-CD2 4.22Å; Y113-F135 AromaticContact CE2-CD2 3.79Å; Y113-F135 HydrophobicContact CE2-CD2 3.79Å; Y113-F135 AromaticContact CE2-CE2 3.87Å; Y113-F135 HydrophobicContact CE2-CE2 3.87Å; E116-F135 HydrophobicContact CB-CE1 4.38Å; M131-F135 VanDerWaalsContact O-CD2 3.3Å; M131-F135 WeakPolarHBondContact O-CD2 3.43Å; G132-F135 PolarHBondContact O-N 3Å; L133-F135 PolarHBondContact O-N 3.19Å; F135-K137 PolarHBondContact O-N 3.01Å |
| 136 | V | 85.4 | Confident | 89 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | trans | -65.1 | 107.4 | 180 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | L133 S134 F141 | L133-V136 HydrophobicContact CD2-CG2 4Å; L133-V136 WeakPolarHBondContact O-CB 3.25Å; L133-V136 WeakPolarHBondContact O-CG2 3.41Å; L133-V136 PolarHBondContact O-N 3.33Å; S134-V136 VanDerWaalsContact C-N 3.27Å; S134-V136 PolarHBondContact O-N 3.17Å; V136-F141 HydrophobicContact CG2-CB 3.84Å; V136-F141 HydrophobicContact CG2-CD2 3.82Å; V136-F141 HydrophobicContact CG2-CG 4.22Å | ||
| 137 | K | 79.1 | Confident | 88.8 | Confident | 114 Ų | 114 | 57 Ų | 57 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -93.5 | 139.2 | 172.2 | -66.2 | 160.1 | -174.1 | 169.5 | 0 | 109 | F135 A139 T140 | F135-K137 PolarHBondContact O-N 3.01Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.75Å; K137-T140 PolarHBondContact O-N 2.99Å |
| 138 | D | 77.9 | Confident | 88.2 | Confident | 130 Ų | 130 | 59.4 Ų | 59.4 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 36.9 | 174 | -37.2 | -57.9 | 0 | 0 | 0 | 114.9 | T140 R142 | D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 PolarHBondContact O-OG1 3.14Å; D138-T140 VanDerWaalsContact O-OG1 3.14Å; D138-R142 IonicContact OD2-NH2 3.49Å; D138-R142 PolarHBondContact OD2-NH2 2.95Å |
| 139 | A | 80.3 | Confident | 86.7 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 18 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T62 K137 | T62-A139 PolarHBondContact N-O 2.78Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.75Å |
| 140 | T | 89.5 | Confident | 84.8 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 104.3 | -175.8 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | T62 K64 R79 K137 D138 R142 | T62-T140 CarbonylContact O-C 3.48Å; T62-T140 WeakPolarHBondContact O-CA 3.34Å; K64-T140 HydrophobicContact CB-CG2 3.73Å; R79-T140 PolarHBondContact NH2-OG1 3.25Å; K137-T140 PolarHBondContact O-N 2.99Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 PolarHBondContact O-OG1 3.14Å; D138-T140 VanDerWaalsContact O-OG1 3.14Å; T140-R142 PolarHBondContact O-N 2.98Å |
| 141 | F | 93 | Very high | 82.4 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 123.3 | 170.2 | -174.1 | -131.1 | 0 | 0 | 0 | 109.6 | V61 T62 V63 K64 L93 F123 L129 G132 L133 V136 L143 | V61-F141 HydrophobicContact CG1-CB 3.74Å; T62-F141 PolarHBondContact O-N 2.88Å; V63-F141 HydrophobicContact CG1-CD1 4.41Å; V63-F141 HydrophobicContact CG2-CD1 4.36Å; K64-F141 PolarHBondContact N-O 3.34Å; L93-F141 HydrophobicContact CD2-CE1 4.25Å; F123-F141 HydrophobicContact CE1-CZ 4.28Å; F123-F141 HydrophobicContact CZ-CE1 4.21Å; F123-F141 HydrophobicContact CZ-CZ 4.24Å; L129-F141 HydrophobicContact CD1-CE1 3.85Å; L129-F141 HydrophobicContact CD1-CZ 4Å; G132-F141 WeakPolarHBondContact O-CE2 3.45Å; L133-F141 HydrophobicContact CD2-CB 4.35Å; L133-F141 HydrophobicContact CD2-CD1 4.28Å; L133-F141 HydrophobicContact CD2-CD2 4.16Å; L133-F141 HydrophobicContact CD2-CG 4.02Å; V136-F141 HydrophobicContact CG2-CB 3.84Å; V136-F141 HydrophobicContact CG2-CD2 3.82Å; V136-F141 HydrophobicContact CG2-CG 4.22Å; F141-L143 HydrophobicContact CD1-CB 4.25Å; F141-L143 HydrophobicContact CE1-CB 4.19Å; F141-L143 HydrophobicContact CE1-CD1 4.15Å |
| 142 | R | 94.1 | Very high | 80 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 99.6 | 178.6 | -65.5 | -173.8 | -175.9 | 83.1 | 2.6 | 108.8 | Y66 D138 T140 Y144 | Y66-R142 HydrophobicContact CE2-CB 4.37Å; Y66-R142 HydrophobicContact CE2-CG 4.47Å; D138-R142 IonicContact OD2-NH2 3.49Å; D138-R142 PolarHBondContact OD2-NH2 2.95Å; T140-R142 PolarHBondContact O-N 2.98Å; R142-Y144 HydrophobicContact CB-CE2 4.16Å |
| 143 | L | 95.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.7 | -176.7 | 177.5 | 58.8 | 0 | 0 | 0 | 109.7 | V63 K64 A65 Y66 L93 V97 L111 F123 F141 I145 | V63-L143 HydrophobicContact CG1-CB 3.79Å; V63-L143 HydrophobicContact CG1-CD2 3.75Å; V63-L143 HydrophobicContact CG1-CG 4.44Å; K64-L143 PolarHBondContact O-N 2.88Å; A65-L143 CarbonylContact C-O 3.49Å; A65-L143 VanDerWaalsContact CA-O 3.28Å; A65-L143 WeakPolarHBondContact CA-O 3.06Å; A65-L143 HydrophobicContact CB-CB 4.49Å; A65-L143 HydrophobicContact CB-CD2 4.46Å; Y66-L143 PolarHBondContact N-O 2.96Å; L93-L143 HydrophobicContact CD1-CD2 4.14Å; L93-L143 HydrophobicContact CD2-CD2 4.26Å; L93-L143 HydrophobicContact CG-CD2 4.29Å; V97-L143 HydrophobicContact CG2-CD2 3.69Å; L111-L143 HydrophobicContact CB-CD1 4.04Å; L111-L143 HydrophobicContact CD2-CD1 4.31Å; F123-L143 HydrophobicContact CE1-CD1 3.59Å; F123-L143 HydrophobicContact CZ-CD1 3.52Å; F141-L143 HydrophobicContact CD1-CB 4.25Å; F141-L143 HydrophobicContact CE1-CB 4.19Å; F141-L143 HydrophobicContact CE1-CD1 4.15Å; L143-I145 HydrophobicContact CG-CG1 4.41Å |
| 144 | Y | 95.1 | Very high | 75.3 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.5 | 175.4 | -59.8 | -91.6 | 0 | 0 | 0 | 109.1 | Y66 L68 F112 K114 L120 R142 | Y66-Y144 HydrophobicContact CD1-CE1 4.33Å; Y66-Y144 HydrophobicContact CD2-CD1 4.29Å; Y66-Y144 HydrophobicContact CD2-CE1 4Å; Y66-Y144 HydrophobicContact CE2-CE1 4.43Å; Y66-Y144 HydrophobicContact CG-CD1 4.09Å; Y66-Y144 AromaticContact CG-CE1 3.94Å; Y66-Y144 HydrophobicContact CG-CE1 3.94Å; Y66-Y144 WeakPolarHBondContact O-CA 3.19Å; L68-Y144 HydrophobicContact CD2-CD1 4.19Å; F112-Y144 PolarHBondContact N-O 3.49Å; F112-Y144 PolarHBondContact O-N 3.25Å; K114-Y144 HydrophobicContact CB-CE2 4.21Å; K114-Y144 HydrophobicContact CD-CE2 4.05Å; K114-Y144 HydrophobicContact CG-CD2 4.26Å; K114-Y144 HydrophobicContact CG-CE2 3.72Å; L120-Y144 HydrophobicContact CD2-CD1 4.23Å; L120-Y144 HydrophobicContact CD2-CD2 3.66Å; L120-Y144 HydrophobicContact CD2-CE2 4.31Å; L120-Y144 HydrophobicContact CD2-CG 3.62Å; R142-Y144 HydrophobicContact CB-CE2 4.16Å |
| 145 | I | 94.5 | Very high | 72.9 | Confident | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.7 | -174.2 | -53 | 157.5 | 0 | 0 | 0 | 108.2 | A65 Y66 L67 L68 V97 F101 L104 C109 S110 L111 L143 | A65-I145 HydrophobicContact CB-CD1 3.92Å; Y66-I145 PolarHBondContact O-N 2.85Å; L67-I145 HydrophobicContact CD1-CB 4.22Å; L67-I145 HydrophobicContact CD1-CG2 4.09Å; L68-I145 WeakPolarHBondContact CB-O 3.42Å; L68-I145 PolarHBondContact N-O 2.82Å; V97-I145 HydrophobicContact CG1-CD1 3.46Å; V97-I145 VanDerWaalsContact CG1-CD1 3.46Å; V97-I145 HydrophobicContact CG1-CG1 4.08Å; V97-I145 HydrophobicContact CG2-CD1 4.4Å; F101-I145 HydrophobicContact CD2-CD1 3.98Å; F101-I145 HydrophobicContact CE2-CD1 3.53Å; F101-I145 HydrophobicContact CZ-CD1 3.89Å; L104-I145 HydrophobicContact CD1-CG2 3.86Å; C109-I145 HydrophobicContact CB-CG2 3.84Å; S110-I145 WeakPolarHBondContact O-CA 3.37Å; L111-I145 HydrophobicContact CD2-CG1 3.89Å; L111-I145 HydrophobicContact CD2-CG2 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.41Å |
| 146 | R | 91.3 | Very high | 70.9 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.7 | 165.4 | -56.4 | -178.4 | -168.4 | -126.5 | -1.6 | 108.4 | L68 E72 S110 F112 R148 | L68-R146 HydrophobicContact CB-CG 4.4Å; L68-R146 HydrophobicContact CD1-CG 4.18Å; E72-R146 VanDerWaalsContact CD-NH2 3.34Å; E72-R146 IonicContact OE1-CZ 3.45Å; E72-R146 IonicContact OE1-NH1 2.69Å; E72-R146 PolarHBondContact OE1-NH1 2.99Å; E72-R146 IonicContact OE1-NH2 3.9Å; E72-R146 PolarHBondContact OE1-NH2 2.85Å; E72-R146 IonicContact OE2-NH2 3.15Å; S110-R146 PolarHBondContact N-O 3.38Å; S110-R146 PolarHBondContact O-N 3.32Å; F112-R146 HydrophobicContact CD2-CG 4.03Å; F112-R146 HydrophobicContact CE2-CB 3.66Å; F112-R146 HydrophobicContact CE2-CG 3.44Å; F112-R146 VanDerWaalsContact CE2-CG 3.44Å; F112-R146 HydrophobicContact CZ-CB 4.27Å; F112-R146 HydrophobicContact CZ-CG 3.96Å; R146-R148 PolarHBondContact O-N 2.66Å; R146-R148 VanDerWaalsContact O-N 3.09Å |
| 147 | E | 86.6 | Confident | 68.9 | Low | 79 Ų | 79 | 96.3 Ų | 96.3 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 108.7 | 168.8 | -176.9 | -178.1 | -171.2 | 0 | 0 | 108.1 | K75 L104 S107 K149 | K75-E147 IonicContact NZ-OE2 3.67Å; L104-E147 HydrophobicContact CD2-CB 4.34Å; L104-E147 HydrophobicContact CD2-CG 4.38Å; S107-E147 PolarHBondContact OG-OE1 2.97Å; E147-K149 PolarHBondContact O-N 2.97Å |
| 148 | R | 78.1 | Confident | 67.4 | Low | 160 Ų | 160 | 100.1 Ų | 100.1 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 81.7 | 171.1 | -174.7 | -179.4 | -173.4 | 167.7 | 2.5 | 106 | T108 R146 E150 | T108-R148 CarbonylContact O-C 3.6Å; T108-R148 WeakPolarHBondContact O-CA 3.43Å; T108-R148 WeakPolarHBondContact O-CB 3.13Å; T108-R148 PolarHBondContact O-N 3.38Å; T108-R148 VanDerWaalsContact O-O 3.13Å; T108-R148 PolarHBondContact OG1-O 3.11Å; R146-R148 PolarHBondContact O-N 2.66Å; R146-R148 VanDerWaalsContact O-N 3.09Å; R148-E150 VanDerWaalsContact C-N 3.3Å; R148-E150 PolarHBondContact O-N 3.27Å |
| 149 | K | 64.2 | Low | 65.6 | Low | 172 Ų | 172 | 97.5 Ų | 97.5 | 75% | 0.748 | 46% | 0.459 | S | S | * | . | trans | -55.9 | 105 | 164.8 | -174.9 | 179.8 | -175.7 | -175.2 | 0 | 105.9 | E147 H151 | E147-K149 PolarHBondContact O-N 2.97Å; K149-H151 PolarHBondContact O-N 2.9Å | ||
| 150 | E | 50.2 | Low | 63.4 | Low | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | trans | -59 | 109.3 | 177.8 | -167.5 | -166.9 | 142.1 | 0 | 0 | 105.7 | R148 R152 | R148-E150 VanDerWaalsContact C-N 3.3Å; R148-E150 PolarHBondContact O-N 3.27Å; E150-R152 HydrophobicContact CG-CB 4.12Å; E150-R152 PolarHBondContact O-N 2.84Å; E150-R152 WeakPolarHBondContact OE1-CB 3.45Å | ||
| 151 | H | 39.8 | Very low | 60.9 | Low | 164 Ų | 164 | 107.4 Ų | 107.4 | 76% | 0.759 | 50% | 0.502 | S | S | * | . | trans | -78.5 | 51.6 | 168.9 | -150.6 | -52.4 | 0 | 0 | 0 | 108.6 | K149 R153 | K149-H151 PolarHBondContact O-N 2.9Å; H151-R153 PolarHBondContact O-N 2.87Å | ||
| 152 | R | 40 | Very low | 58.3 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | trans | -40.7 | 115.2 | 159.7 | -165.2 | 177.2 | -161.2 | -118.1 | 9.9 | 104.4 | E150 D154 | E150-R152 HydrophobicContact CG-CB 4.12Å; E150-R152 PolarHBondContact O-N 2.84Å; E150-R152 WeakPolarHBondContact OE1-CB 3.45Å; R152-D154 WeakPolarHBondContact CD-OD1 3.45Å; R152-D154 IonicContact CZ-OD1 2.69Å; R152-D154 IonicContact NE-OD1 2.71Å; R152-D154 IonicContact NH1-OD1 3.59Å; R152-D154 PolarHBondContact NH1-OD1 3.1Å; R152-D154 PolarHBondContact O-N 3.42Å | ||
| 153 | R | 43.6 | Very low | 55.6 | Low | 210 Ų | 210 | 117.6 Ų | 117.6 | 79% | 0.792 | 56% | 0.561 | S | S | * | * | trans | -75.7 | 72.7 | 170.6 | -71.5 | -175 | -179.2 | 177.6 | 1.9 | 106 | H151 F155 | H151-R153 PolarHBondContact O-N 2.87Å; R153-F155 HydrophobicContact CB-CD2 4.37Å; R153-F155 PolarHBondContact O-N 3.01Å | ||
| 154 | D | 34.4 | Very low | 53 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | trans | -59.9 | 75.2 | 151.9 | -66.7 | -49.3 | 0 | 0 | 0 | 106.7 | R152 P156 | R152-D154 WeakPolarHBondContact CD-OD1 3.45Å; R152-D154 IonicContact CZ-OD1 2.69Å; R152-D154 IonicContact NE-OD1 2.71Å; R152-D154 IonicContact NH1-OD1 3.59Å; R152-D154 PolarHBondContact NH1-OD1 3.1Å; R152-D154 PolarHBondContact O-N 3.42Å; D154-P156 VanDerWaalsContact O-CD 3.28Å; D154-P156 WeakPolarHBondContact O-CD 3.38Å; D154-P156 VanDerWaalsContact O-N 3.13Å | ||
| 155 | F | 35 | Very low | 50.3 | Low | 122 Ų | 122 | 129.5 Ų | 129.5 | 54% | 0.535 | 63% | 0.631 | S | S | . | * | trans | -40 | 116.9 | 143.4 | -82.4 | -89.1 | 0 | 0 | 0 | 105.5 | R153 L157 W230 | R153-F155 HydrophobicContact CB-CD2 4.37Å; R153-F155 PolarHBondContact O-N 3.01Å; F155-L157 VanDerWaalsContact C-N 3.35Å; F155-L157 PolarHBondContact O-N 3.25Å; F155-W230 HydrophobicContact CE1-CZ2 4.32Å; F155-W230 HydrophobicContact CZ-CZ2 4.18Å | ||
| 156 | P | 40.8 | Very low | 47.8 | Very low | 101 Ų | 101 | 132 Ų | 132 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | trans | -61.8 | 89.5 | -163.8 | -30.9 | 38.1 | 0 | 0 | 0 | 114.4 | D154 H158 A159 | D154-P156 VanDerWaalsContact O-CD 3.28Å; D154-P156 WeakPolarHBondContact O-CD 3.38Å; D154-P156 VanDerWaalsContact O-N 3.13Å; P156-H158 PolarHBondContact O-N 3.09Å; P156-H158 VanDerWaalsContact O-N 3.11Å; P156-A159 WeakPolarHBondContact O-CB 3.21Å; P156-A159 PolarHBondContact O-N 3.34Å | ||
| 157 | L | 44.5 | Very low | 45.9 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -64.4 | -12.5 | 171.6 | -64.6 | -180 | 0 | 0 | 0 | 111.6 | F155 A159 F160 | F155-L157 VanDerWaalsContact C-N 3.35Å; F155-L157 PolarHBondContact O-N 3.25Å; L157-A159 PolarHBondContact O-N 3.4Å; L157-A159 VanDerWaalsContact O-N 3.11Å; L157-F160 PolarHBondContact O-N 2.88Å |
| 158 | H | 46.6 | Very low | 44.2 | Very low | 194 Ų | 194 | 136 Ų | 136 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -67.6 | 6.9 | 165 | -74 | -69.4 | 0 | 0 | 0 | 115.1 | P156 F160 | P156-H158 PolarHBondContact O-N 3.09Å; P156-H158 VanDerWaalsContact O-N 3.11Å; H158-F160 VanDerWaalsContact C-N 3.31Å |
| 159 | A | 40.3 | Very low | 43 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -77.9 | -13.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P156 L157 | P156-A159 WeakPolarHBondContact O-CB 3.21Å; P156-A159 PolarHBondContact O-N 3.34Å; L157-A159 PolarHBondContact O-N 3.4Å; L157-A159 VanDerWaalsContact O-N 3.11Å |
| 160 | F | 34.2 | Very low | 42.5 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -123 | 110.9 | 178.5 | -70 | -80.6 | 0 | 0 | 0 | 111.3 | L157 H158 | L157-F160 PolarHBondContact O-N 2.88Å; H158-F160 VanDerWaalsContact C-N 3.31Å |
| 161 | P | 36.9 | Very low | 42.4 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -68 | 152.4 | 166.8 | 30.4 | -33.8 | 0 | 0 | 0 | 110.3 | ||||
| 162 | P | 38.6 | Very low | 42.6 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -63.4 | 149.5 | 179 | 27.4 | -35.1 | 0 | 0 | 0 | 111.7 | A164 | P162-A164 PolarHBondContact O-N 3.27Š| ||
| 163 | F | 39.1 | Very low | 42.9 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -63 | 95.4 | -174.6 | -72.4 | -80.3 | 0 | 0 | 0 | 113.4 | F165 | F163-F165 AromaticContact CD1-CD2 3.95Å; F163-F165 HydrophobicContact CD1-CD2 3.95Å; F163-F165 AromaticContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CZ 4.4Å; F163-F165 AromaticContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CZ 4.42Å | ||
| 164 | A | 39 | Very low | 43 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -118.5 | 78.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.8 | P162 G166 | P162-A164 PolarHBondContact O-N 3.27Å; A164-G166 PolarHBondContact O-N 3.12Å | ||
| 165 | F | 38.6 | Very low | 43.2 | Very low | 185 Ų | 185 | 123.2 Ų | 123.2 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -68.9 | 88.4 | 177.9 | -90.8 | -68.4 | 0 | 0 | 0 | 111.4 | F163 | F163-F165 AromaticContact CD1-CD2 3.95Å; F163-F165 HydrophobicContact CD1-CD2 3.95Å; F163-F165 AromaticContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CE2 3.54Å; F163-F165 HydrophobicContact CD1-CZ 4.4Å; F163-F165 AromaticContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CE2 3.84Å; F163-F165 HydrophobicContact CE1-CZ 4.42Å | ||
| 166 | G | 42.7 | Very low | 43.7 | Very low | 52 Ų | 52 | 126.5 Ų | 126.5 | 54% | 0.536 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 148.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A164 | A164-G166 PolarHBondContact O-N 3.12Š|
| 167 | P | 51.9 | Low | 43.7 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141 | 177.5 | 27.2 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 168 | P | 49.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 141.9 | -172.7 | 28.9 | -35.1 | 0 | 0 | 0 | 112.7 | ||
| 169 | P | 52.5 | Low | 44 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 156.7 | 166.5 | 31.1 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 170 | P | 54.2 | Low | 44.9 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146.2 | -175.7 | 27 | -34.9 | 0 | 0 | 0 | 113.1 | H172 | P170-H172 PolarHBondContact O-N 3.16Š|
| 171 | P | 47.6 | Very low | 46.4 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -82.6 | 110.2 | -171.6 | 31.5 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 172 | H | 45.4 | Very low | 48.2 | Very low | 175 Ų | 175 | 119.1 Ų | 119.1 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -128.6 | 68.4 | 178.1 | -62.5 | -7.8 | 0 | 0 | 0 | 111.3 | P170 | P170-H172 PolarHBondContact O-N 3.16Š| ||
| 173 | G | 45.8 | Very low | 50.4 | Low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -174.8 | 145.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 174 | P | 46.3 | Very low | 52.5 | Low | 134 Ų | 134 | 108.3 Ų | 108.3 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.8 | -179.8 | 29.9 | -34.2 | 0 | 0 | 0 | 111.2 | H176 | P174-H176 PolarHBondContact O-N 3.41Š|
| 175 | A | 38.8 | Very low | 54.4 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M177 | A175-M177 PolarHBondContact O-N 2.91Š|
| 176 | H | 43.9 | Very low | 56.5 | Low | 192 Ų | 192 | 106.2 Ų | 106.2 | 89% | 0.889 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.7 | 160.6 | -121.2 | -94.8 | 0 | 0 | 0 | 108 | P174 A178 | P174-H176 PolarHBondContact O-N 3.41Å; H176-A178 PolarHBondContact O-N 2.92Å |
| 177 | M | 41.9 | Very low | 58.6 | Low | 185 Ų | 185 | 104.6 Ų | 104.6 | 91% | 0.911 | 65% | 0.652 | S | S | * | * | trans | -62.4 | 111.4 | 179.5 | -78.9 | -179.4 | 159.2 | 0 | 0 | 110.5 | A175 | A175-M177 PolarHBondContact O-N 2.91Š| ||
| 178 | A | 46.5 | Very low | 60.6 | Low | 83 Ų | 83 | 103 Ų | 103 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 142.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | H176 | H176-A178 PolarHBondContact O-N 2.92Š|
| 179 | P | 51 | Low | 62.7 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.7 | 174.7 | 26.1 | -33.9 | 0 | 0 | 0 | 109.4 | ||
| 180 | P | 59.5 | Low | 64.8 | Low | 118 Ų | 118 | 96 Ų | 96 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.5 | 179.7 | 24.8 | -33.7 | 0 | 0 | 0 | 109.7 | A182 | P180-A182 PolarHBondContact O-N 2.77Š|
| 181 | P | 64.9 | Low | 66.5 | Low | 86 Ų | 86 | 92.2 Ų | 92.2 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.2 | -176.4 | 26.3 | -35 | 0 | 0 | 0 | 110.1 | V183 V197 | P181-V183 PolarHBondContact O-N 2.93Å; P181-V197 HydrophobicContact CB-CG1 3.74Å; P181-V197 HydrophobicContact CG-CG1 3.52Å |
| 182 | A | 74.6 | Confident | 68.6 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 36% | 0.355 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 121.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P180 G198 | P180-A182 PolarHBondContact O-N 2.77Å; A182-G198 PolarHBondContact O-N 3.31Å |
| 183 | V | 84.4 | Confident | 70.8 | Confident | 77 Ų | 77 | 89.6 Ų | 89.6 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.3 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | P181 P185 A195 V197 | P181-V183 PolarHBondContact O-N 2.93Å; V183-P185 VanDerWaalsContact O-CD 3.24Å; V183-P185 WeakPolarHBondContact O-CD 3.11Å; V183-A195 HydrophobicContact CG1-CB 4.47Å; V183-V197 HydrophobicContact CG1-CG2 4.37Å; V183-V197 HydrophobicContact CG2-CG1 4.48Å; V183-V197 HydrophobicContact CG2-CG2 4.18Å |
| 184 | H | 82.8 | Confident | 72.9 | Confident | 6 Ų | 6 | 88 Ų | 88 | 3% | 0.028 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.5 | 169.5 | -75.8 | -105.2 | 0 | 0 | 0 | 109.1 | V187 V196 G198 I229 H231 | H184-V187 HydrophobicContact CB-CB 4.01Å; H184-V187 HydrophobicContact CB-CG2 3.99Å; H184-V196 HydrophobicContact CB-CB 4.25Å; H184-V196 HydrophobicContact CB-CG1 4.41Å; H184-V196 PolarHBondContact N-O 3.45Å; H184-G198 PolarHBondContact CD2-O 3.42Å; H184-G198 VanDerWaalsContact CD2-O 3.25Å; H184-G198 PolarHBondContact NE2-O 3.38Å; H184-I229 PolarHBondContact NE2-O 3.13Å; H184-H231 PolarHBondContact CE1-O 3.12Å; H184-H231 VanDerWaalsContact CE1-O 3.24Å |
| 185 | P | 79.1 | Confident | 74.9 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 146.6 | 177.7 | 30.8 | -34.6 | 0 | 0 | 0 | 109.6 | V183 V187 | V183-P185 VanDerWaalsContact O-CD 3.24Å; V183-P185 WeakPolarHBondContact O-CD 3.11Å; P185-V187 PolarHBondContact O-N 3.35Å |
| 186 | N | 82.9 | Confident | 77.3 | Confident | 170 Ų | 170 | 80 Ų | 80 | 91% | 0.909 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 27.4 | 179.6 | -48.1 | -15.3 | 0 | 0 | 0 | 114 | ||
| 187 | V | 87.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.1 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | H184 P185 V196 R200 D210 | H184-V187 HydrophobicContact CB-CB 4.01Å; H184-V187 HydrophobicContact CB-CG2 3.99Å; P185-V187 PolarHBondContact O-N 3.35Å; V187-V196 HydrophobicContact CB-CG2 4.49Å; V187-V196 HydrophobicContact CG1-CB 4.33Å; V187-V196 HydrophobicContact CG1-CG2 3.87Å; V187-V196 PolarHBondContact O-N 2.66Å; V187-R200 HydrophobicContact CG1-CG 4.33Å; V187-R200 VanDerWaalsContact CG2-NH1 3.34Å; V187-D210 HydrophobicContact CG1-CB 4.11Å |
| 188 | T | 93.5 | Very high | 81.6 | Confident | 89 Ų | 89 | 66 Ų | 66 | 55% | 0.546 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 155.3 | 168 | 42 | 0 | 0 | 0 | 0 | 110.8 | G194 | T188-G194 CarbonylContact C-O 3.52Å |
| 189 | C | 94.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -97.5 | 112.8 | 173.6 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | G191 C192 E193 G194 V196 D210 C212 | C189-G191 PolarHBondContact O-N 3.12Å; C189-G191 VanDerWaalsContact O-N 3.07Å; C189-C192 CarbonylContact O-C 3.5Å; C189-C192 PolarHBondContact O-N 2.9Å; C189-E193 WeakPolarHBondContact O-CA 3.21Å; C189-E193 PolarHBondContact O-N 2.9Å; C189-G194 WeakPolarHBondContact CB-O 3.44Å; C189-G194 PolarHBondContact N-O 2.84Å; C189-V196 HydrophobicContact CB-CG2 3.89Å; C189-D210 CarbonylContact C-O 3.59Å; C189-D210 VanDerWaalsContact CA-O 3.27Å; C189-D210 WeakPolarHBondContact CA-O 3.19Å; C189-C212 HydrophobicContact CB-CB 4.07Å; C189-C212 PolarHBondContact SG-N 3.35Å | ||
| 190 | D | 95.1 | Very high | 85.5 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.7 | -179.5 | -60.1 | -77.5 | 0 | 0 | 0 | 113.2 | C192 Y209 D210 | D190-C192 VanDerWaalsContact C-N 3.31Å; D190-C192 PolarHBondContact O-N 2.99Å; D190-Y209 HydrophobicContact CB-CD2 3.9Å; D190-Y209 HydrophobicContact CB-CE1 4.49Å; D190-Y209 HydrophobicContact CB-CE2 3.53Å; D190-Y209 WeakPolarHBondContact OD2-CA 3.48Å; D190-D210 PolarHBondContact N-O 3.08Å; D190-D210 PolarHBondContact OD2-N 3.35Å |
| 191 | G | 91.3 | Very high | 87.1 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.8 | 177 | 0 | 0 | 0 | 0 | 0 | 116.2 | C189 C215 K220 | C189-G191 PolarHBondContact O-N 3.12Å; C189-G191 VanDerWaalsContact O-N 3.07Å; G191-C215 PolarHBondContact O-SG 3.32Å; G191-C215 VanDerWaalsContact O-SG 3.41Å; G191-K220 PolarHBondContact O-NZ 3.01Å |
| 192 | C | 91.7 | Very high | 88.5 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 47% | 0.466 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.7 | 9.2 | 178.6 | 68.3 | 0 | 0 | 0 | 0 | 115.9 | C189 D190 G194 | C189-C192 CarbonylContact O-C 3.5Å; C189-C192 PolarHBondContact O-N 2.9Å; D190-C192 VanDerWaalsContact C-N 3.31Å; D190-C192 PolarHBondContact O-N 2.99Å; C192-G194 PolarHBondContact O-N 2.89Å |
| 193 | E | 91.6 | Very high | 89.4 | Confident | 175 Ų | 175 | 52.2 Ų | 52.2 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 57.5 | -0.8 | -178.9 | -62.2 | 170.2 | -157.1 | 0 | 0 | 115.9 | C189 | C189-E193 WeakPolarHBondContact O-CA 3.21Å; C189-E193 PolarHBondContact O-N 2.9Å |
| 194 | G | 89.2 | Confident | 89.7 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -85.7 | 165.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T188 C189 C192 | T188-G194 CarbonylContact C-O 3.52Å; C189-G194 WeakPolarHBondContact CB-O 3.44Å; C189-G194 PolarHBondContact N-O 2.84Å; C192-G194 PolarHBondContact O-N 2.89Å |
| 195 | A | 88.7 | Confident | 90 | Very high | 65 Ų | 65 | 56 Ų | 56 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V183 V197 | V183-A195 HydrophobicContact CG1-CB 4.47Å; A195-V197 PolarHBondContact O-N 3.45Å |
| 196 | V | 89.7 | Confident | 90.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.4 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | H184 V187 C189 R200 C212 | H184-V196 HydrophobicContact CB-CB 4.25Å; H184-V196 HydrophobicContact CB-CG1 4.41Å; H184-V196 PolarHBondContact N-O 3.45Å; V187-V196 HydrophobicContact CB-CG2 4.49Å; V187-V196 HydrophobicContact CG1-CB 4.33Å; V187-V196 HydrophobicContact CG1-CG2 3.87Å; V187-V196 PolarHBondContact O-N 2.66Å; C189-V196 HydrophobicContact CB-CG2 3.89Å; V196-R200 HydrophobicContact CG1-CB 3.66Å; V196-R200 HydrophobicContact CG1-CG 4.27Å; V196-C212 HydrophobicContact CG1-CB 4.41Å; V196-C212 HydrophobicContact CG2-CB 4.36Å |
| 197 | V | 88.3 | Confident | 90.6 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.2 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | P181 V183 A195 | P181-V197 HydrophobicContact CB-CG1 3.74Å; P181-V197 HydrophobicContact CG-CG1 3.52Å; V183-V197 HydrophobicContact CG1-CG2 4.37Å; V183-V197 HydrophobicContact CG2-CG1 4.48Å; V183-V197 HydrophobicContact CG2-CG2 4.18Å; A195-V197 PolarHBondContact O-N 3.45Å |
| 198 | G | 86.2 | Confident | 90.6 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 76.9 | -147.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A182 H184 R200 | A182-G198 PolarHBondContact O-N 3.31Å; H184-G198 PolarHBondContact CD2-O 3.42Å; H184-G198 VanDerWaalsContact CD2-O 3.25Å; H184-G198 PolarHBondContact NE2-O 3.38Å; G198-R200 PolarHBondContact O-N 3.45Å |
| 199 | T | 88.3 | Confident | 90.6 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -63 | 123.6 | -177.6 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | F201 P228 W230 | T199-F201 HydrophobicContact CG2-CD2 4.26Å; T199-F201 HydrophobicContact CG2-CE1 4.44Å; T199-F201 HydrophobicContact CG2-CE2 3.79Å; T199-F201 HydrophobicContact CG2-CZ 3.91Å; T199-F201 WeakPolarHBondContact O-CD2 3.25Å; T199-P228 HydrophobicContact CG2-CB 3.69Å; T199-W230 HydrophobicContact CG2-CD2 4.1Å; T199-W230 HydrophobicContact CG2-CE3 4.16Å; T199-W230 HydrophobicContact CG2-CZ3 4.49Å; T199-W230 VanDerWaalsContact OG1-CE3 3.24Å; T199-W230 WeakPolarHBondContact OG1-CZ3 3.47Å |
| 200 | R | 92.8 | Very high | 90.6 | Very high | 51 Ų | 51 | 56 Ų | 56 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.2 | 166.9 | 172 | -174.4 | 178.5 | 173.1 | 11.2 | 109.6 | V187 V196 G198 D210 P228 I229 | V187-R200 HydrophobicContact CG1-CG 4.33Å; V187-R200 VanDerWaalsContact CG2-NH1 3.34Å; V196-R200 HydrophobicContact CG1-CB 3.66Å; V196-R200 HydrophobicContact CG1-CG 4.27Å; G198-R200 PolarHBondContact O-N 3.45Å; R200-D210 WeakPolarHBondContact CG-OD1 3.3Å; R200-D210 IonicContact CZ-OD1 3.65Å; R200-D210 IonicContact CZ-OD2 3.78Å; R200-D210 IonicContact NE-OD1 3.29Å; R200-D210 PolarHBondContact NE-OD1 3.44Å; R200-D210 IonicContact NE-OD2 3.76Å; R200-D210 VanDerWaalsContact NH2-CG 3.27Å; R200-D210 IonicContact NH2-OD1 2.74Å; R200-D210 PolarHBondContact NH2-OD1 2.89Å; R200-D210 IonicContact NH2-OD2 2.71Å; R200-D210 PolarHBondContact NH2-OD2 3.15Å; R200-P228 CarbonylContact O-C 3.56Å; R200-I229 HydrophobicContact CB-CB 4.2Å; R200-I229 HydrophobicContact CG-CD1 4.39Å; R200-I229 PolarHBondContact N-O 3.35Å; R200-I229 PolarHBondContact O-N 2.74Å |
| 201 | F | 93.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 101.2 | 177.5 | -72.3 | -90.8 | 0 | 0 | 0 | 109.7 | T199 D210 L211 Q216 L226 L227 P228 | T199-F201 HydrophobicContact CG2-CD2 4.26Å; T199-F201 HydrophobicContact CG2-CE1 4.44Å; T199-F201 HydrophobicContact CG2-CE2 3.79Å; T199-F201 HydrophobicContact CG2-CZ 3.91Å; T199-F201 WeakPolarHBondContact O-CD2 3.25Å; F201-D210 WeakPolarHBondContact O-CA 3.23Å; F201-L211 HydrophobicContact CB-CB 4.22Å; F201-L211 PolarHBondContact N-O 3.36Å; F201-L211 PolarHBondContact O-N 3.48Å; F201-Q216 HydrophobicContact CB-CB 4.45Å; F201-Q216 HydrophobicContact CB-CG 4.45Å; F201-Q216 HydrophobicContact CD1-CB 4.47Å; F201-Q216 HydrophobicContact CD1-CG 3.81Å; F201-Q216 HydrophobicContact CD2-CB 3.9Å; F201-Q216 HydrophobicContact CD2-CG 4.11Å; F201-Q216 HydrophobicContact CE1-CG 3.96Å; F201-Q216 HydrophobicContact CE2-CB 4.22Å; F201-Q216 HydrophobicContact CE2-CG 4.26Å; F201-Q216 HydrophobicContact CG-CB 4.03Å; F201-Q216 HydrophobicContact CG-CG 3.87Å; F201-Q216 HydrophobicContact CZ-CG 4.18Å; F201-L226 HydrophobicContact CB-CB 4.29Å; F201-L226 HydrophobicContact CB-CD2 4.37Å; F201-L226 HydrophobicContact CD1-CB 4.35Å; F201-L227 WeakPolarHBondContact CA-O 3.39Å; F201-P228 HydrophobicContact CD1-CB 4.14Å; F201-P228 HydrophobicContact CE1-CB 3.86Å; F201-P228 HydrophobicContact CZ-CB 4.47Å |
| 202 | K | 92.6 | Very high | 90.8 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.7 | -179.6 | -168.9 | 161.5 | -175.6 | 61.6 | 0 | 111 | D208 D210 L226 L227 I229 | K202-D208 IonicContact NZ-OD1 3.71Å; K202-D208 PolarHBondContact NZ-OD1 3.36Å; K202-D210 VanDerWaalsContact CA-OD1 3.32Å; K202-D210 WeakPolarHBondContact CA-OD1 3.43Å; K202-D210 WeakPolarHBondContact CB-OD1 3.46Å; K202-D210 WeakPolarHBondContact CG-OD1 3.44Å; K202-D210 IonicContact NZ-OD2 3.21Å; K202-D210 PolarHBondContact NZ-OD2 2.94Å; K202-L226 CarbonylContact O-C 3.59Å; K202-L227 PolarHBondContact N-O 2.98Å; K202-L227 PolarHBondContact O-N 2.93Å; K202-I229 HydrophobicContact CB-CD1 4.03Å |
| 203 | C | 93.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.054 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.2 | 172 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | V205 C206 Y209 H221 H224 L226 | C203-V205 PolarHBondContact SG-N 2.71Å; C203-C206 HydrophobicContact CB-CB 4.1Å; C203-C206 PolarHBondContact SG-N 2.86Å; C203-Y209 HydrophobicContact CB-CD1 4.31Å; C203-Y209 PolarHBondContact N-O 3.04Å; C203-H221 PolarHBondContact SG-NE2 3.42Å; C203-H224 WeakPolarHBondContact SG-CB 2.89Å; C203-L226 HydrophobicContact CB-CD2 4.3Å |
| 204 | S | 90.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -83.4 | -9.8 | 174 | 71 | 0 | 0 | 0 | 0 | 114.3 | A225 | S204-A225 PolarHBondContact N-O 3.24Å; S204-A225 PolarHBondContact OG-O 3.19Å |
| 205 | V | 89.6 | Confident | 90.9 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 56% | 0.558 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -115.8 | -46.5 | -173.6 | -176.5 | 0 | 0 | 0 | 0 | 112 | C203 H224 | C203-V205 PolarHBondContact SG-N 2.71Å; V205-H224 HydrophobicContact CB-CB 4.08Å; V205-H224 HydrophobicContact CG2-CB 4Å |
| 206 | C | 88.4 | Confident | 91.1 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -79.8 | 134.8 | -179.2 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | C203 D208 Y209 H221 H224 | C203-C206 HydrophobicContact CB-CB 4.1Å; C203-C206 PolarHBondContact SG-N 2.86Å; C206-D208 PolarHBondContact O-N 2.76Å; C206-Y209 HydrophobicContact CB-CG 4.43Å; C206-H221 PolarHBondContact SG-CE1 2.88Å; C206-H224 VanDerWaalsContact SG-CE1 3.52Å; C206-H224 PolarHBondContact SG-ND1 3.18Å |
| 207 | P | 87.2 | Confident | 91.1 | Very high | 120 Ų | 120 | 48.8 Ų | 48.8 | 78% | 0.779 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 132.6 | 171.6 | 28.8 | -34.1 | 0 | 0 | 0 | 109.4 | Y209 | P207-Y209 PolarHBondContact O-N 3.33Š|
| 208 | D | 87.3 | Confident | 91.2 | Very high | 128 Ų | 128 | 52 Ų | 52 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 15.3 | 173.1 | -61.8 | -38.1 | 0 | 0 | 0 | 119.7 | K202 C206 | K202-D208 IonicContact NZ-OD1 3.71Å; K202-D208 PolarHBondContact NZ-OD1 3.36Å; C206-D208 PolarHBondContact O-N 2.76Å |
| 209 | Y | 93.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | trans | -79.5 | 122.4 | 172.3 | -159.4 | -86.2 | 0 | 0 | 0 | 112.3 | D190 C203 C206 P207 L211 H221 | D190-Y209 HydrophobicContact CB-CD2 3.9Å; D190-Y209 HydrophobicContact CB-CE1 4.49Å; D190-Y209 HydrophobicContact CB-CE2 3.53Å; D190-Y209 WeakPolarHBondContact OD2-CA 3.48Å; C203-Y209 HydrophobicContact CB-CD1 4.31Å; C203-Y209 PolarHBondContact N-O 3.04Å; C206-Y209 HydrophobicContact CB-CG 4.43Å; P207-Y209 PolarHBondContact O-N 3.33Å; Y209-L211 HydrophobicContact CD1-CG 4.38Å; Y209-L211 HydrophobicContact CE1-CD1 4.03Å; Y209-L211 HydrophobicContact CE1-CD2 3.65Å; Y209-L211 HydrophobicContact CE1-CG 3.68Å; Y209-H221 HydrophobicContact CD1-CB 4.16Å; Y209-H221 AromaticContact CD1-CD2 3.52Å; Y209-H221 AromaticContact CD1-CG 3.75Å; Y209-H221 AromaticContact CD1-NE2 3.98Å; Y209-H221 HydrophobicContact CE1-CB 3.33Å; Y209-H221 AromaticContact CE1-CD2 3.63Å; Y209-H221 AromaticContact CE1-CG 3.37Å; Y209-H221 AromaticContact CZ-CG 3.89Å | ||
| 210 | D | 94.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133 | -172.4 | -89.6 | -75.4 | 0 | 0 | 0 | 111.7 | V187 C189 D190 R200 F201 K202 | V187-D210 HydrophobicContact CG1-CB 4.11Å; C189-D210 CarbonylContact C-O 3.59Å; C189-D210 VanDerWaalsContact CA-O 3.27Å; C189-D210 WeakPolarHBondContact CA-O 3.19Å; D190-D210 PolarHBondContact N-O 3.08Å; D190-D210 PolarHBondContact OD2-N 3.35Å; R200-D210 WeakPolarHBondContact CG-OD1 3.3Å; R200-D210 IonicContact CZ-OD1 3.65Å; R200-D210 IonicContact CZ-OD2 3.78Å; R200-D210 IonicContact NE-OD1 3.29Å; R200-D210 PolarHBondContact NE-OD1 3.44Å; R200-D210 IonicContact NE-OD2 3.76Å; R200-D210 VanDerWaalsContact NH2-CG 3.27Å; R200-D210 IonicContact NH2-OD1 2.74Å; R200-D210 PolarHBondContact NH2-OD1 2.89Å; R200-D210 IonicContact NH2-OD2 2.71Å; R200-D210 PolarHBondContact NH2-OD2 3.15Å; F201-D210 WeakPolarHBondContact O-CA 3.23Å; K202-D210 VanDerWaalsContact CA-OD1 3.32Å; K202-D210 WeakPolarHBondContact CA-OD1 3.43Å; K202-D210 WeakPolarHBondContact CB-OD1 3.46Å; K202-D210 WeakPolarHBondContact CG-OD1 3.44Å; K202-D210 IonicContact NZ-OD2 3.21Å; K202-D210 PolarHBondContact NZ-OD2 2.94Å |
| 211 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148 | -179.5 | -64.4 | -175.6 | 0 | 0 | 0 | 113.1 | F201 Y209 C215 K220 H221 L226 | F201-L211 HydrophobicContact CB-CB 4.22Å; F201-L211 PolarHBondContact N-O 3.36Å; F201-L211 PolarHBondContact O-N 3.48Å; Y209-L211 HydrophobicContact CD1-CG 4.38Å; Y209-L211 HydrophobicContact CE1-CD1 4.03Å; Y209-L211 HydrophobicContact CE1-CD2 3.65Å; Y209-L211 HydrophobicContact CE1-CG 3.68Å; L211-C215 HydrophobicContact CB-CB 4.3Å; L211-C215 HydrophobicContact CD1-CB 4.45Å; L211-C215 HydrophobicContact CD2-CB 3.96Å; L211-C215 HydrophobicContact CG-CB 4.48Å; L211-K220 HydrophobicContact CD1-CB 4.1Å; L211-K220 WeakPolarHBondContact CD1-O 3.47Å; L211-H221 HydrophobicContact CD1-CB 4.11Å; L211-L226 HydrophobicContact CD1-CD1 4.09Å; L211-L226 HydrophobicContact CD1-CD2 4.43Å |
| 212 | C | 94.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.081 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 160.4 | 161.7 | 73.1 | 0 | 0 | 0 | 0 | 110.9 | C189 V196 A214 C215 Q216 | C189-C212 HydrophobicContact CB-CB 4.07Å; C189-C212 PolarHBondContact SG-N 3.35Å; V196-C212 HydrophobicContact CG1-CB 4.41Å; V196-C212 HydrophobicContact CG2-CB 4.36Å; C212-A214 PolarHBondContact O-N 3.03Å; C212-C215 PolarHBondContact O-N 3.47Å; C212-Q216 PolarHBondContact O-N 3.01Å |
| 213 | S | 90.8 | Very high | 90.5 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -51.8 | -37.2 | 177.4 | 55 | 0 | 0 | 0 | 0 | 114.2 | A217 | S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.98Å |
| 214 | A | 91.6 | Very high | 90.2 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C212 Q218 | C212-A214 PolarHBondContact O-N 3.03Å; A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 3.09Å; A214-Q218 VanDerWaalsContact O-N 3.08Å |
| 215 | C | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.3 | -37.1 | 177.9 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | G191 L211 C212 Q218 G219 K220 | G191-C215 PolarHBondContact O-SG 3.32Å; G191-C215 VanDerWaalsContact O-SG 3.41Å; L211-C215 HydrophobicContact CB-CB 4.3Å; L211-C215 HydrophobicContact CD1-CB 4.45Å; L211-C215 HydrophobicContact CD2-CB 3.96Å; L211-C215 HydrophobicContact CG-CB 4.48Å; C212-C215 PolarHBondContact O-N 3.47Å; C215-Q218 WeakPolarHBondContact O-CB 3.18Å; C215-Q218 PolarHBondContact O-N 3.45Å; C215-G219 PolarHBondContact O-N 3.3Å; C215-K220 HydrophobicContact CB-CD 3.85Å; C215-K220 WeakPolarHBondContact O-CB 3.18Å; C215-K220 PolarHBondContact O-N 2.94Å |
| 216 | Q | 92.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.6 | -178.4 | -82.8 | -36.7 | 0 | 0 | 111.3 | F201 C212 Q218 G219 L226 | F201-Q216 HydrophobicContact CB-CB 4.45Å; F201-Q216 HydrophobicContact CB-CG 4.45Å; F201-Q216 HydrophobicContact CD1-CB 4.47Å; F201-Q216 HydrophobicContact CD1-CG 3.81Å; F201-Q216 HydrophobicContact CD2-CB 3.9Å; F201-Q216 HydrophobicContact CD2-CG 4.11Å; F201-Q216 HydrophobicContact CE1-CG 3.96Å; F201-Q216 HydrophobicContact CE2-CB 4.22Å; F201-Q216 HydrophobicContact CE2-CG 4.26Å; F201-Q216 HydrophobicContact CG-CB 4.03Å; F201-Q216 HydrophobicContact CG-CG 3.87Å; F201-Q216 HydrophobicContact CZ-CG 4.18Å; C212-Q216 PolarHBondContact O-N 3.01Å; Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.12Å; Q216-G219 PolarHBondContact O-N 3.49Å; Q216-L226 HydrophobicContact CG-CD1 3.99Å |
| 217 | A | 89.2 | Confident | 90.2 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.2 | -22.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S213 G219 | S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.98Å; A217-G219 PolarHBondContact O-N 3.28Å |
| 218 | Q | 90.9 | Very high | 90.3 | Very high | 128 Ų | 128 | 61.4 Ų | 61.4 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.2 | 170.3 | -77.7 | 168.2 | 1.6 | 0 | 0 | 113.5 | A214 C215 Q216 K220 | A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 3.09Å; A214-Q218 VanDerWaalsContact O-N 3.08Å; C215-Q218 WeakPolarHBondContact O-CB 3.18Å; C215-Q218 PolarHBondContact O-N 3.45Å; Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.12Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 HydrophobicContact CB-CG 4.45Å; Q218-K220 VanDerWaalsContact OE1-CE 3.29Å |
| 219 | G | 88.9 | Confident | 90.3 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 27.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C215 Q216 A217 T222 | C215-G219 PolarHBondContact O-N 3.3Å; Q216-G219 PolarHBondContact O-N 3.49Å; A217-G219 PolarHBondContact O-N 3.28Å; G219-T222 WeakPolarHBondContact O-CG2 3.41Å |
| 220 | K | 87.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 32% | 0.317 | 35% | 0.347 | S | S | . | . | trans | -74.7 | 137 | 168.7 | -67 | 171 | 175.9 | 163.3 | 0 | 108.9 | G191 L211 C215 Q218 | G191-K220 PolarHBondContact O-NZ 3.01Å; L211-K220 HydrophobicContact CD1-CB 4.1Å; L211-K220 WeakPolarHBondContact CD1-O 3.47Å; C215-K220 HydrophobicContact CB-CD 3.85Å; C215-K220 WeakPolarHBondContact O-CB 3.18Å; C215-K220 PolarHBondContact O-N 2.94Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 HydrophobicContact CB-CG 4.45Å; Q218-K220 VanDerWaalsContact OE1-CE 3.29Å | ||
| 221 | H | 86 | Confident | 88.7 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 56.8 | 58.6 | 179.3 | -156.5 | 63.1 | 0 | 0 | 0 | 114.6 | C203 C206 Y209 L211 E223 H224 | C203-H221 PolarHBondContact SG-NE2 3.42Å; C206-H221 PolarHBondContact SG-CE1 2.88Å; Y209-H221 HydrophobicContact CD1-CB 4.16Å; Y209-H221 AromaticContact CD1-CD2 3.52Å; Y209-H221 AromaticContact CD1-CG 3.75Å; Y209-H221 AromaticContact CD1-NE2 3.98Å; Y209-H221 HydrophobicContact CE1-CB 3.33Å; Y209-H221 AromaticContact CE1-CD2 3.63Å; Y209-H221 AromaticContact CE1-CG 3.37Å; Y209-H221 AromaticContact CZ-CG 3.89Å; L211-H221 HydrophobicContact CD1-CB 4.11Å; H221-E223 VanDerWaalsContact C-OE2 3.29Å; H221-E223 VanDerWaalsContact CA-OE2 3.24Å; H221-E223 WeakPolarHBondContact CA-OE2 3.39Å; H221-E223 IonicContact CE1-OE1 3.28Å; H221-E223 PolarHBondContact CE1-OE1 3.18Å; H221-E223 VanDerWaalsContact CE1-OE1 3.29Å; H221-E223 IonicContact CG-OE1 3.45Å; H221-E223 IonicContact ND1-OE1 2.66Å; H221-E223 PolarHBondContact ND1-OE1 2.86Å; H221-E223 IonicContact ND1-OE2 2.84Å; H221-H224 AromaticContact CE1-ND1 3.32Å; H221-H224 PolarHBondContact CE1-ND1 2.96Å; H221-H224 VanDerWaalsContact CE1-ND1 3.32Å; H221-H224 AromaticContact NE2-CG 3.93Å; H221-H224 AromaticContact NE2-ND1 3.26Å; H221-H224 PolarHBondContact NE2-ND1 3.32Å |
| 222 | T | 87.9 | Confident | 87.4 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 69% | 0.693 | 38% | 0.376 | S | S | * | . | trans | -86.9 | -9.1 | 178 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | G219 H224 | G219-T222 WeakPolarHBondContact O-CG2 3.41Å; T222-H224 VanDerWaalsContact C-N 3.26Å; T222-H224 PolarHBondContact O-N 2.75Å | ||
| 223 | E | 88.8 | Confident | 85.8 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 58% | 0.575 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -68.5 | -19.9 | -179.6 | 57.3 | -90.5 | -152.1 | 0 | 0 | 113.9 | H221 | H221-E223 VanDerWaalsContact C-OE2 3.29Å; H221-E223 VanDerWaalsContact CA-OE2 3.24Å; H221-E223 WeakPolarHBondContact CA-OE2 3.39Å; H221-E223 IonicContact CE1-OE1 3.28Å; H221-E223 PolarHBondContact CE1-OE1 3.18Å; H221-E223 VanDerWaalsContact CE1-OE1 3.29Å; H221-E223 IonicContact CG-OE1 3.45Å; H221-E223 IonicContact ND1-OE1 2.66Å; H221-E223 PolarHBondContact ND1-OE1 2.86Å; H221-E223 IonicContact ND1-OE2 2.84Å |
| 224 | H | 86.4 | Confident | 84.1 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 32% | 0.324 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -134.8 | 160.3 | -177.4 | -59 | 137 | 0 | 0 | 0 | 112.2 | C203 V205 C206 H221 T222 L226 | C203-H224 WeakPolarHBondContact SG-CB 2.89Å; V205-H224 HydrophobicContact CB-CB 4.08Å; V205-H224 HydrophobicContact CG2-CB 4Å; C206-H224 VanDerWaalsContact SG-CE1 3.52Å; C206-H224 PolarHBondContact SG-ND1 3.18Å; H221-H224 AromaticContact CE1-ND1 3.32Å; H221-H224 PolarHBondContact CE1-ND1 2.96Å; H221-H224 VanDerWaalsContact CE1-ND1 3.32Å; H221-H224 AromaticContact NE2-CG 3.93Å; H221-H224 AromaticContact NE2-ND1 3.26Å; H221-H224 PolarHBondContact NE2-ND1 3.32Å; T222-H224 VanDerWaalsContact C-N 3.26Å; T222-H224 PolarHBondContact O-N 2.75Å; H224-L226 PolarHBondContact O-N 3.21Å |
| 225 | A | 87.6 | Confident | 82 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 128.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S204 | S204-A225 PolarHBondContact N-O 3.24Å; S204-A225 PolarHBondContact OG-O 3.19Å |
| 226 | L | 91.7 | Very high | 79.5 | Confident | 40 Ų | 40 | 90.1 Ų | 90.1 | 21% | 0.209 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | 177.7 | -72.9 | 168.6 | 0 | 0 | 0 | 110.5 | F201 K202 C203 L211 Q216 H224 | F201-L226 HydrophobicContact CB-CB 4.29Å; F201-L226 HydrophobicContact CB-CD2 4.37Å; F201-L226 HydrophobicContact CD1-CB 4.35Å; K202-L226 CarbonylContact O-C 3.59Å; C203-L226 HydrophobicContact CB-CD2 4.3Å; L211-L226 HydrophobicContact CD1-CD1 4.09Å; L211-L226 HydrophobicContact CD1-CD2 4.43Å; Q216-L226 HydrophobicContact CG-CD1 3.99Å; H224-L226 PolarHBondContact O-N 3.21Å |
| 227 | L | 89.9 | Confident | 76.9 | Confident | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.7 | -178.3 | -62.9 | 176.6 | 0 | 0 | 0 | 111.2 | F201 K202 I229 | F201-L227 WeakPolarHBondContact CA-O 3.39Å; K202-L227 PolarHBondContact N-O 2.98Å; K202-L227 PolarHBondContact O-N 2.93Å; L227-I229 PolarHBondContact O-N 2.99Å |
| 228 | P | 90.3 | Very high | 74.5 | Confident | 59 Ų | 59 | 96.7 Ų | 96.7 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.7 | -178.6 | 30.8 | -33.7 | 0 | 0 | 0 | 112.5 | T199 R200 F201 W230 | T199-P228 HydrophobicContact CG2-CB 3.69Å; R200-P228 CarbonylContact O-C 3.56Å; F201-P228 HydrophobicContact CD1-CB 4.14Å; F201-P228 HydrophobicContact CE1-CB 3.86Å; F201-P228 HydrophobicContact CZ-CB 4.47Å; P228-W230 HydrophobicContact CB-CZ2 4.05Å; P228-W230 HydrophobicContact CG-CZ2 4.31Å; P228-W230 PolarHBondContact O-NE1 2.92Å |
| 229 | I | 86.8 | Confident | 72.5 | Confident | 45 Ų | 45 | 102.5 Ų | 102.5 | 23% | 0.231 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 109.5 | 175.5 | -51.3 | 171.1 | 0 | 0 | 0 | 107.5 | H184 R200 K202 L227 | H184-I229 PolarHBondContact NE2-O 3.13Å; R200-I229 HydrophobicContact CB-CB 4.2Å; R200-I229 HydrophobicContact CG-CD1 4.39Å; R200-I229 PolarHBondContact N-O 3.35Å; R200-I229 PolarHBondContact O-N 2.74Å; K202-I229 HydrophobicContact CB-CD1 4.03Å; L227-I229 PolarHBondContact O-N 2.99Å |
| 230 | W | 78.1 | Confident | 70.5 | Confident | 121 Ų | 121 | 103.6 Ų | 103.6 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | trans | -87.2 | -15.6 | -166.1 | -58.2 | 83.6 | 0 | 0 | 0 | 114.8 | F155 T199 P228 | F155-W230 HydrophobicContact CE1-CZ2 4.32Å; F155-W230 HydrophobicContact CZ-CZ2 4.18Å; T199-W230 HydrophobicContact CG2-CD2 4.1Å; T199-W230 HydrophobicContact CG2-CE3 4.16Å; T199-W230 HydrophobicContact CG2-CZ3 4.49Å; T199-W230 VanDerWaalsContact OG1-CE3 3.24Å; T199-W230 WeakPolarHBondContact OG1-CZ3 3.47Å; P228-W230 HydrophobicContact CB-CZ2 4.05Å; P228-W230 HydrophobicContact CG-CZ2 4.31Å; P228-W230 PolarHBondContact O-NE1 2.92Å | ||
| 231 | H | 74.9 | Confident | 68.7 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -140.4 | 143.7 | -174.2 | -55.8 | -32.9 | 0 | 0 | 0 | 110.3 | H184 L233 W236 | H184-H231 PolarHBondContact CE1-O 3.12Å; H184-H231 VanDerWaalsContact CE1-O 3.24Å; H231-L233 PolarHBondContact O-N 2.73Å; H231-W236 AromaticContact CD2-CZ3 3.74Å; H231-W236 AromaticContact NE2-CZ3 3.92Å |
| 232 | P | 67.4 | Low | 66.6 | Low | 30 Ų | 30 | 119.3 Ų | 119.3 | 20% | 0.195 | 58% | 0.578 | C | S | . | * | trans | -64.3 | 115.6 | 164 | 27.6 | -33.7 | 0 | 0 | 0 | 109.3 | Q234 | P232-Q234 PolarHBondContact O-N 3.07Š| ||
| 233 | L | 61.5 | Low | 64.7 | Low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 8.3 | -172.8 | -67.7 | 171.7 | 0 | 0 | 0 | 114.5 | H231 H235 | H231-L233 PolarHBondContact O-N 2.73Å; L233-H235 VanDerWaalsContact C-N 3.26Å; L233-H235 PolarHBondContact O-N 3.11Å |
| 234 | Q | 55.5 | Low | 62.8 | Low | 137 Ų | 137 | 122.8 Ų | 122.8 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -11.8 | -173.6 | -138.7 | 73.9 | 21.7 | 0 | 0 | 114.9 | P232 | P232-Q234 PolarHBondContact O-N 3.07Š|
| 235 | H | 46.1 | Very low | 60.7 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -136.6 | -7.4 | -163.9 | -56.4 | -37.5 | 0 | 0 | 0 | 117 | L233 F237 | L233-H235 VanDerWaalsContact C-N 3.26Å; L233-H235 PolarHBondContact O-N 3.11Å; H235-F237 VanDerWaalsContact C-N 3.28Å; H235-F237 PolarHBondContact O-N 3.16Å |
| 236 | W | 42 | Very low | 58.4 | Low | 189 Ų | 189 | 136.3 Ų | 136.3 | 72% | 0.716 | 63% | 0.63 | S | S | * | * | trans | -85.5 | 57.7 | -171.7 | -148.1 | -60.5 | 0 | 0 | 0 | 114.5 | H231 | H231-W236 AromaticContact CD2-CZ3 3.74Å; H231-W236 AromaticContact NE2-CZ3 3.92Å | ||
| 237 | F | 37.6 | Very low | 56.3 | Low | 196 Ų | 196 | 143 Ų | 143 | 86% | 0.86 | 65% | 0.652 | S | S | * | * | trans | -130.1 | 75.2 | 154.5 | -93.6 | -71.7 | 0 | 0 | 0 | 110.2 | H235 R239 | H235-F237 VanDerWaalsContact C-N 3.28Å; H235-F237 PolarHBondContact O-N 3.16Å; F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.93Å | ||
| 238 | P | 38.3 | Very low | 54.1 | Low | 98 Ų | 98 | 147.9 Ų | 147.9 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -71 | 86.2 | 175.1 | 30.3 | -34.8 | 0 | 0 | 0 | 110.7 | G240 | P238-G240 PolarHBondContact O-N 3.49Š| ||
| 239 | R | 49.5 | Very low | 51.4 | Low | 249 Ų | 249 | 151.2 Ų | 151.2 | 94% | 0.94 | 70% | 0.695 | S | S | * | * | trans | -53.3 | 135.4 | 170.8 | -54 | -171 | -160.6 | -140.8 | 7.6 | 109.7 | F237 | F237-R239 VanDerWaalsContact C-N 3.32Å; F237-R239 PolarHBondContact O-N 2.93Å | ||
| 240 | G | 47.4 | Very low | 48.8 | Very low | 64 Ų | 64 | 152.5 Ų | 152.5 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 89.1 | 38.6 | 158 | 0 | 0 | 0 | 0 | 0 | 119.4 | P238 | P238-G240 PolarHBondContact O-N 3.49Š|
| 241 | K | 49.9 | Very low | 46.5 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -120.1 | -13 | 161.9 | -73.4 | -174.1 | -179.4 | 175.6 | 0 | 116.5 | ||
| 242 | W | 42 | Very low | 44.3 | Very low | 229 Ų | 229 | 162.6 Ų | 162.6 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -54.8 | -48.5 | 167.2 | 177.7 | -48.6 | 0 | 0 | 0 | 111.8 | K244 R245 | W242-K244 PolarHBondContact O-N 3Å; W242-R245 PolarHBondContact O-N 3.22Å |
| 243 | M | 47.1 | Very low | 42.4 | Very low | 127 Ų | 127 | 167.8 Ų | 167.8 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -76.3 | 33.7 | -170.8 | -59.6 | 167.7 | 79.1 | 0 | 0 | 115.1 | R247 | M243-R247 PolarHBondContact O-NH2 3.13Š|
| 244 | K | 48.3 | Very low | 41 | Very low | 182 Ų | 182 | 168.9 Ų | 168.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -120.7 | -10.6 | 169.2 | -81 | -165.1 | 172.5 | -171.2 | 0 | 114.9 | W242 | W242-K244 PolarHBondContact O-N 3Š|
| 245 | R | 43.3 | Very low | 40 | Very low | 245 Ų | 245 | 168.6 Ų | 168.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -99.5 | 14.9 | 170.2 | -168.1 | 159.2 | 168.2 | 154.9 | -5 | 113.5 | W242 | W242-R245 PolarHBondContact O-N 3.22Š|
| 246 | M | 38.9 | Very low | 39.4 | Very low | 171 Ų | 171 | 167 Ų | 167 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -141.7 | 62.1 | 175 | -119.5 | 164.1 | -176 | 0 | 0 | 110.2 | ||
| 247 | R | 47.7 | Very low | 38.9 | Very low | 180 Ų | 180 | 164.2 Ų | 164.2 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -153.5 | 63 | 175.5 | -147.2 | -176.1 | -52.4 | -142.7 | 2.4 | 111.5 | M243 | M243-R247 PolarHBondContact O-NH2 3.13Š| ||
| 248 | H | 42.9 | Very low | 39.1 | Very low | 200 Ų | 200 | 159 Ų | 159 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -147.5 | 31.4 | 170.4 | -125.1 | -74.1 | 0 | 0 | 0 | 113.8 | ||
| 249 | C | 34.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 161.9 Ų | 161.9 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -142.3 | 143.4 | 160.9 | -168.8 | 0 | 0 | 0 | 0 | 107.5 | ||
| 250 | G | 31.5 | Very low | 37.2 | Very low | 72 Ų | 72 | 158.3 Ų | 158.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 93.2 | 139.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 251 | M | 30 | Very low | 36.2 | Very low | 188 Ų | 188 | 161.2 Ų | 161.2 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -94.1 | 169.4 | -169.2 | -131.5 | 76.5 | 77.7 | 0 | 0 | 114.1 | ||||
| 252 | W | 28.9 | Very low | 35.1 | Very low | 241 Ų | 241 | 160.5 Ų | 160.5 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 132.8 | 173.3 | -62.4 | 58.3 | 0 | 0 | 0 | 111.7 | ||||
| 253 | N | 28.5 | Very low | 34.4 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 166.8 | 153.1 | 138.9 | -91 | -25.2 | 0 | 0 | 0 | 109.1 | ||||
| 254 | Q | 31.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | cis | -145.2 | 155.8 | 4.1 | -130 | 150.9 | 53.9 | 0 | 0 | 109.5 | ||||
| 255 | N | 35.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -101.8 | 144.3 | 158.4 | -167.7 | 31 | 0 | 0 | 0 | 106.6 | N257 | N255-N257 PolarHBondContact OD1-N 3.02Å; N255-N257 VanDerWaalsContact OD1-N 3.12Å | ||
| 256 | P | 33.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -143.8 | 132 | 99.2 | 35.3 | -19.3 | 0 | 0 | 0 | 115.6 | |||||
| 257 | N | 30.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -66 | 168.1 | 144.8 | -144.4 | 37.1 | 0 | 0 | 0 | 108.4 | N255 | N255-N257 PolarHBondContact OD1-N 3.02Å; N255-N257 VanDerWaalsContact OD1-N 3.12Å | ||
| 258 | P | 41.3 | Very low | 29.7 | Very low | 86 Ų | 86 | 147.9 Ų | 147.9 | 56% | 0.558 | 79% | 0.794 | S | S | * | * | cis | -150.5 | -172.6 | 24.1 | 46.3 | -26.1 | 0 | 0 | 0 | 118.2 | ||||
| 259 | E | 23.8 | Very low | 28.9 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 70.7 | 155.5 | 152.8 | -77.3 | 166.4 | 131.1 | 0 | 0 | 117.9 | ||||
| 260 | Q | 25.5 | Very low | 28.5 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -143.2 | 172.2 | 17.9 | -145.1 | 157.1 | 43.9 | 0 | 0 | 114.2 | ||||
| 261 | N | 26.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | -98.5 | 138.9 | -172.4 | 162.8 | 39.9 | 0 | 0 | 0 | 112.9 | ||||
| 262 | Q | 26.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 174.8 | 163.9 | 134 | -97.9 | 154.4 | 89.2 | 0 | 0 | 115.9 | ||||
| 263 | N | 27 | Very low | 28.4 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 154.5 | 170.7 | -46.7 | -57.9 | 0 | 0 | 0 | 111.6 | ||||
| 264 | Q | 27.3 | Very low | 28.4 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -179.7 | 177.4 | 112.2 | -104.2 | -175.7 | -41.4 | 0 | 0 | 114.4 | |||||
| 265 | E | 24.3 | Very low | 28 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -86.6 | 166.7 | -169.2 | -71.5 | 141.8 | 71.5 | 0 | 0 | 116.1 | ||||
| 266 | Q | 26.3 | Very low | 27.7 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | 103.5 | 116.8 | 135.4 | -137.6 | 170.6 | 35.3 | 0 | 0 | 120.5 | ||||
| 267 | A | 24.2 | Very low | 27.7 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | 55.3 | 126.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 268 | G | 24.6 | Very low | 28.2 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 168.9 | 138.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 269 | A | 26.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -123.5 | 129.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 270 | A | 25.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -162.9 | 149.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 271 | K | 26 | Very low | 30.3 | Very low | 205 Ų | 205 | 124.8 Ų | 124.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -152.2 | 165.5 | 164.8 | -111 | -165.1 | 175.1 | -174.9 | 0 | 106.2 | ||||
| 272 | P | 38.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -131.7 | -150.4 | 16.1 | 42.5 | -23.5 | 0 | 0 | 0 | 113.8 | ||||
| 273 | A | 24.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | 75.8 | 113.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 274 | A | 26.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 114 Ų | 114 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | 80.8 | 120.9 | 58.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 275 | D | 24 | Very low | 36.6 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | cis | -124.6 | 167.6 | 6.9 | -81.3 | -47.3 | 0 | 0 | 0 | 113.9 | ||||
| 276 | S | 28.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 101.2 Ų | 101.2 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -152.9 | 84.2 | 173.9 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | A278 | S276-A278 PolarHBondContact O-N 2.91Š| ||
| 277 | S | 34.1 | Very low | 40.9 | Very low | 120 Ų | 120 | 96.9 Ų | 96.9 | 84% | 0.839 | 67% | 0.671 | S | S | * | * | trans | -77 | 95 | 168.7 | 38.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 278 | A | 40.5 | Very low | 43.1 | Very low | 79 Ų | 79 | 98.3 Ų | 98.3 | 65% | 0.653 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S276 S280 | S276-A278 PolarHBondContact O-N 2.91Å; A278-S280 PolarHBondContact O-N 2.86Å; A278-S280 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 38.8 | Very low | 45.6 | Very low | 103 Ų | 103 | 98.6 Ų | 98.6 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 117.1 | 174.7 | 26.6 | -33.1 | 0 | 0 | 0 | 109.2 | ||
| 280 | S | 44.9 | Very low | 47.8 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 154.5 | 176.7 | -79.5 | 0 | 0 | 0 | 0 | 110.8 | A278 S282 Q283 | A278-S280 PolarHBondContact O-N 2.86Å; A278-S280 VanDerWaalsContact O-N 3.13Å; S280-S282 VanDerWaalsContact CB-OG 3.29Å; S280-S282 WeakPolarHBondContact CB-OG 3.38Å; S280-S282 PolarHBondContact O-N 3.39Å; S280-Q283 PolarHBondContact O-N 3.34Å |
| 281 | A | 50.4 | Low | 50.2 | Low | 79 Ų | 79 | 96.3 Ų | 96.3 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.1 | -21.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S285 | A281-S285 WeakPolarHBondContact O-CB 3.49Å; A281-S285 PolarHBondContact O-N 3.31Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 2.95Å |
| 282 | S | 56.1 | Low | 52.5 | Low | 41 Ų | 41 | 90.5 Ų | 90.5 | 29% | 0.287 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -56.4 | -48.1 | 168.3 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | S280 A284 S285 V286 H313 | S280-S282 VanDerWaalsContact CB-OG 3.29Å; S280-S282 WeakPolarHBondContact CB-OG 3.38Å; S280-S282 PolarHBondContact O-N 3.39Å; S282-A284 PolarHBondContact O-N 3.25Å; S282-S285 WeakPolarHBondContact O-CA 3.49Å; S282-S285 WeakPolarHBondContact O-CB 3.29Å; S282-S285 PolarHBondContact O-N 2.88Å; S282-V286 WeakPolarHBondContact O-CG2 3.36Å; S282-V286 PolarHBondContact O-N 2.75Å; S282-H313 WeakPolarHBondContact CB-NE2 3.33Å |
| 283 | Q | 58.6 | Low | 54.1 | Low | 112 Ų | 112 | 85.2 Ų | 85.2 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 179.4 | -78.1 | 179.1 | -62.4 | 0 | 0 | 111.6 | S280 S285 V286 D287 | S280-Q283 PolarHBondContact O-N 3.34Å; Q283-S285 PolarHBondContact O-N 3.42Å; Q283-S285 VanDerWaalsContact O-N 3.16Å; Q283-V286 PolarHBondContact O-N 3.48Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; Q283-D287 VanDerWaalsContact O-CG 3.32Å; Q283-D287 PolarHBondContact O-N 3Å |
| 284 | A | 63 | Low | 56.3 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S282 F288 | S282-A284 PolarHBondContact O-N 3.25Å; A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.05Å; A284-F288 VanDerWaalsContact O-N 3.12Å |
| 285 | S | 62.6 | Low | 58.3 | Low | 66 Ų | 66 | 83.7 Ų | 83.7 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -78.1 | -39.4 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | A281 S282 Q283 F288 L289 | A281-S285 WeakPolarHBondContact O-CB 3.49Å; A281-S285 PolarHBondContact O-N 3.31Å; A281-S285 VanDerWaalsContact O-N 3.11Å; A281-S285 PolarHBondContact O-OG 2.95Å; S282-S285 WeakPolarHBondContact O-CA 3.49Å; S282-S285 WeakPolarHBondContact O-CB 3.29Å; S282-S285 PolarHBondContact O-N 2.88Å; Q283-S285 PolarHBondContact O-N 3.42Å; Q283-S285 VanDerWaalsContact O-N 3.16Å; S285-F288 PolarHBondContact O-N 3.05Å; S285-L289 WeakPolarHBondContact O-CG 3.47Å; S285-L289 PolarHBondContact O-N 3.27Å; S285-L289 VanDerWaalsContact O-N 3.09Å |
| 286 | V | 71 | Confident | 60.4 | Low | 22 Ų | 22 | 79.2 Ų | 79.2 | 13% | 0.133 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 173 | 172 | 0 | 0 | 0 | 0 | 111.1 | S282 Q283 F288 L289 K290 V311 H313 | S282-V286 WeakPolarHBondContact O-CG2 3.36Å; S282-V286 PolarHBondContact O-N 2.75Å; Q283-V286 PolarHBondContact O-N 3.48Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; V286-F288 VanDerWaalsContact C-N 3.34Å; V286-F288 PolarHBondContact O-N 3.43Å; V286-L289 PolarHBondContact O-N 3.08Å; V286-K290 HydrophobicContact CG1-CD 4.37Å; V286-K290 WeakPolarHBondContact O-CG 3.21Å; V286-K290 PolarHBondContact O-N 3.36Å; V286-V311 HydrophobicContact CG1-CG1 4.11Å; V286-H313 HydrophobicContact CG2-CB 3.8Å |
| 287 | D | 69.4 | Low | 62.5 | Low | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.9 | -67 | -29.1 | 0 | 0 | 0 | 111.2 | Q283 K290 N291 | Q283-D287 VanDerWaalsContact O-CG 3.32Å; Q283-D287 PolarHBondContact O-N 3Å; D287-K290 PolarHBondContact O-N 2.78Å; D287-N291 PolarHBondContact O-N 2.98Å; D287-N291 PolarHBondContact O-ND2 3.49Å |
| 288 | F | 71.8 | Confident | 64.2 | Low | 134 Ų | 134 | 72.1 Ų | 72.1 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 173.3 | 177.6 | -109.8 | 0 | 0 | 0 | 112.3 | A284 S285 V286 K290 N291 I292 | A284-F288 WeakPolarHBondContact O-CB 3.41Å; A284-F288 PolarHBondContact O-N 3.05Å; A284-F288 VanDerWaalsContact O-N 3.12Å; S285-F288 PolarHBondContact O-N 3.05Å; V286-F288 VanDerWaalsContact C-N 3.34Å; V286-F288 PolarHBondContact O-N 3.43Å; F288-K290 PolarHBondContact O-N 3.15Å; F288-N291 PolarHBondContact O-N 3.18Å; F288-I292 HydrophobicContact CD1-CD1 3.97Å; F288-I292 HydrophobicContact CE1-CD1 3.5Å; F288-I292 HydrophobicContact CE2-CD1 4.17Å; F288-I292 HydrophobicContact CG-CD1 4.49Å; F288-I292 HydrophobicContact CZ-CD1 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.02Å |
| 289 | L | 75.2 | Confident | 65.5 | Low | 89 Ų | 89 | 75.5 Ų | 75.5 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.1 | -69.6 | 168.3 | 0 | 0 | 0 | 112.4 | S285 V286 I292 G293 V311 | S285-L289 WeakPolarHBondContact O-CG 3.47Å; S285-L289 PolarHBondContact O-N 3.27Å; S285-L289 VanDerWaalsContact O-N 3.09Å; V286-L289 PolarHBondContact O-N 3.08Å; L289-I292 PolarHBondContact O-N 3.04Å; L289-G293 PolarHBondContact O-N 3.24Å; L289-V311 HydrophobicContact CB-CG1 4.06Å; L289-V311 HydrophobicContact CB-CG2 4.39Å; L289-V311 HydrophobicContact CD1-CG1 4.31Å |
| 290 | K | 73.9 | Confident | 66.7 | Low | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.239 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175 | -72.1 | 178.6 | 177.9 | -178.3 | 0 | 112.4 | V286 D287 F288 I292 G293 E294 V311 T318 V320 | V286-K290 HydrophobicContact CG1-CD 4.37Å; V286-K290 WeakPolarHBondContact O-CG 3.21Å; V286-K290 PolarHBondContact O-N 3.36Å; D287-K290 PolarHBondContact O-N 2.78Å; F288-K290 PolarHBondContact O-N 3.15Å; K290-I292 VanDerWaalsContact C-N 3.27Å; K290-I292 PolarHBondContact O-N 3.47Å; K290-G293 PolarHBondContact O-N 3.18Å; K290-G293 VanDerWaalsContact O-N 3.13Å; K290-E294 PolarHBondContact O-N 2.83Å; K290-V311 HydrophobicContact CG-CB 4.3Å; K290-V311 HydrophobicContact CG-CG2 3.9Å; K290-T318 WeakPolarHBondContact CE-OG1 3.47Å; K290-T318 PolarHBondContact NZ-OG1 2.78Å; K290-V320 HydrophobicContact CG-CG2 4.28Å |
| 291 | N | 74.4 | Confident | 67.8 | Low | 109 Ų | 109 | 73 Ų | 73 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.7 | -33.7 | 174.6 | -79.3 | -90.1 | 0 | 0 | 0 | 112.4 | D287 F288 G295 | D287-N291 PolarHBondContact O-N 2.98Å; D287-N291 PolarHBondContact O-ND2 3.49Å; F288-N291 PolarHBondContact O-N 3.18Å; N291-G295 PolarHBondContact O-N 3.25Å; N291-G295 VanDerWaalsContact O-N 3.12Å |
| 292 | I | 75.1 | Confident | 68.8 | Low | 82 Ų | 82 | 74.1 Ų | 74.1 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 171.6 | -69.9 | 172.6 | 0 | 0 | 0 | 110.9 | F288 L289 K290 E294 G295 V296 | F288-I292 HydrophobicContact CD1-CD1 3.97Å; F288-I292 HydrophobicContact CE1-CD1 3.5Å; F288-I292 HydrophobicContact CE2-CD1 4.17Å; F288-I292 HydrophobicContact CG-CD1 4.49Å; F288-I292 HydrophobicContact CZ-CD1 3.63Å; F288-I292 WeakPolarHBondContact O-CG1 3.45Å; F288-I292 PolarHBondContact O-N 3.02Å; L289-I292 PolarHBondContact O-N 3.04Å; K290-I292 VanDerWaalsContact C-N 3.27Å; K290-I292 PolarHBondContact O-N 3.47Å; I292-E294 PolarHBondContact O-N 3.04Å; I292-G295 PolarHBondContact O-N 2.83Å; I292-G295 VanDerWaalsContact O-N 3.16Å; I292-V296 HydrophobicContact CG2-CG2 4.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.4Å; I292-V296 PolarHBondContact O-N 2.99Å |
| 293 | G | 73.1 | Confident | 69.1 | Low | 7 Ų | 7 | 78 Ų | 78 | 7% | 0.072 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L289 K290 G295 V296 A297 I309 | L289-G293 PolarHBondContact O-N 3.24Å; K290-G293 PolarHBondContact O-N 3.18Å; K290-G293 VanDerWaalsContact O-N 3.13Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G293-G295 PolarHBondContact O-N 3.3Å; G293-V296 PolarHBondContact O-N 3.43Å; G293-A297 WeakPolarHBondContact O-CB 3.18Å; G293-A297 PolarHBondContact O-N 3.27Å; G293-I309 WeakPolarHBondContact O-CD1 3.24Å |
| 294 | E | 70.6 | Confident | 69 | Low | 114 Ų | 114 | 75.9 Ų | 75.9 | 53% | 0.533 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 174.8 | -70.7 | -178.1 | -175 | 0 | 0 | 112.3 | K290 I292 A298 V320 | K290-E294 PolarHBondContact O-N 2.83Å; I292-E294 PolarHBondContact O-N 3.04Å; E294-A298 VanDerWaalsContact O-CB 3.22Å; E294-A298 WeakPolarHBondContact O-CB 3.43Å; E294-A298 PolarHBondContact O-N 3.46Å; E294-V320 HydrophobicContact CG-CG1 4.22Å |
| 295 | G | 68.7 | Low | 69.1 | Low | 36 Ų | 36 | 77 Ų | 77 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N291 I292 G293 M299 | N291-G295 PolarHBondContact O-N 3.25Å; N291-G295 VanDerWaalsContact O-N 3.12Å; I292-G295 PolarHBondContact O-N 2.83Å; I292-G295 VanDerWaalsContact O-N 3.16Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G293-G295 PolarHBondContact O-N 3.3Å; G295-M299 WeakPolarHBondContact O-CG 3.17Å; G295-M299 PolarHBondContact O-N 2.69Å; G295-M299 VanDerWaalsContact O-N 3.1Å |
| 296 | V | 67.4 | Low | 68.8 | Low | 63 Ų | 63 | 81 Ų | 81 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.5 | -47 | 176.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | I292 G293 A298 M299 L300 | I292-V296 HydrophobicContact CG2-CG2 4.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.4Å; I292-V296 PolarHBondContact O-N 2.99Å; G293-V296 PolarHBondContact O-N 3.43Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.95Å; V296-M299 PolarHBondContact O-N 2.71Å; V296-M299 VanDerWaalsContact O-N 3.09Å; V296-L300 HydrophobicContact CG1-CD1 3.74Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CG 3.32Å; V296-L300 PolarHBondContact O-N 3.08Å |
| 297 | A | 72.7 | Confident | 68.2 | Low | 23 Ų | 23 | 82.6 Ų | 82.6 | 19% | 0.19 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G293 M299 L300 S301 I309 | G293-A297 WeakPolarHBondContact O-CB 3.18Å; G293-A297 PolarHBondContact O-N 3.27Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 2.74Å; A297-L300 PolarHBondContact O-N 2.81Å; A297-S301 VanDerWaalsContact O-CB 3.29Å; A297-S301 WeakPolarHBondContact O-CB 3.5Å; A297-S301 PolarHBondContact O-N 3.41Å; A297-I309 HydrophobicContact CB-CD1 4.1Å |
| 298 | A | 70.2 | Confident | 67.6 | Low | 69 Ų | 69 | 83.2 Ų | 83.2 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -24.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E294 V296 P302 | E294-A298 VanDerWaalsContact O-CB 3.22Å; E294-A298 WeakPolarHBondContact O-CB 3.43Å; E294-A298 PolarHBondContact O-N 3.46Å; V296-A298 VanDerWaalsContact C-N 3.32Å; V296-A298 PolarHBondContact O-N 2.95Å; A298-P302 WeakPolarHBondContact O-CD 3.41Å |
| 299 | M | 68.1 | Low | 67.6 | Low | 151 Ų | 151 | 78.6 Ų | 78.6 | 74% | 0.744 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -84.9 | -24.6 | 173.7 | -77.1 | -170.5 | 64.4 | 0 | 0 | 113.9 | G295 V296 A297 | G295-M299 WeakPolarHBondContact O-CG 3.17Å; G295-M299 PolarHBondContact O-N 2.69Å; G295-M299 VanDerWaalsContact O-N 3.1Å; V296-M299 PolarHBondContact O-N 2.71Å; V296-M299 VanDerWaalsContact O-N 3.09Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 2.74Å |
| 300 | L | 62.9 | Low | 67.1 | Low | 51 Ų | 51 | 78.8 Ų | 78.8 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -96.7 | -25.6 | -179 | -66.1 | 176.8 | 0 | 0 | 0 | 113.6 | V296 A297 P302 L303 G304 I305 V307 | V296-L300 HydrophobicContact CG1-CD1 3.74Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CG 3.32Å; V296-L300 PolarHBondContact O-N 3.08Å; A297-L300 PolarHBondContact O-N 2.81Å; L300-P302 VanDerWaalsContact C-CD 3.46Å; L300-P302 VanDerWaalsContact C-N 3.35Å; L300-L303 HydrophobicContact CD2-CD1 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.49Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 2.76Å; L300-G304 PolarHBondContact O-N 2.73Å; L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 PolarHBondContact O-N 3.37Å; L300-V307 HydrophobicContact CD1-CG2 3.68Å |
| 301 | S | 69 | Low | 66.7 | Low | 74 Ų | 74 | 76.8 Ų | 76.8 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -52.3 | -40 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 114.2 | A297 L303 G304 | A297-S301 VanDerWaalsContact O-CB 3.29Å; A297-S301 WeakPolarHBondContact O-CB 3.5Å; A297-S301 PolarHBondContact O-N 3.41Å; S301-L303 PolarHBondContact O-N 3.39Å; S301-L303 VanDerWaalsContact O-N 3.12Å; S301-G304 PolarHBondContact O-N 3Å |
| 302 | P | 71.3 | Confident | 66.1 | Low | 104 Ų | 104 | 76.5 Ų | 76.5 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -66.1 | -9.6 | 173.8 | -21.5 | 34.5 | 0 | 0 | 0 | 115.2 | A298 L300 | A298-P302 WeakPolarHBondContact O-CD 3.41Å; L300-P302 VanDerWaalsContact C-CD 3.46Å; L300-P302 VanDerWaalsContact C-N 3.35Å |
| 303 | L | 62.8 | Low | 65.3 | Low | 123 Ų | 123 | 76 Ų | 76 | 64% | 0.644 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -104 | 3.8 | 175.7 | -53.6 | 178.3 | 0 | 0 | 0 | 112.3 | L300 S301 I305 | L300-L303 HydrophobicContact CD2-CD1 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.49Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 2.76Å; S301-L303 PolarHBondContact O-N 3.39Å; S301-L303 VanDerWaalsContact O-N 3.12Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 4.3Å; L303-I305 HydrophobicContact CB-CG1 4.46Å; L303-I305 PolarHBondContact O-N 2.85Å |
| 304 | G | 56.9 | Low | 64 | Low | 67 Ų | 67 | 84.2 Ų | 84.2 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 13.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L300 S301 | L300-G304 PolarHBondContact O-N 2.73Å; S301-G304 PolarHBondContact O-N 3Å |
| 305 | I | 63.4 | Low | 63.2 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | trans | -102 | 97.9 | -178.3 | -57.6 | 168.2 | 0 | 0 | 0 | 108.7 | L300 L303 V307 | L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 PolarHBondContact O-N 3.37Å; L303-I305 VanDerWaalsContact C-N 3.29Å; L303-I305 HydrophobicContact CB-CD1 4.3Å; L303-I305 HydrophobicContact CB-CG1 4.46Å; L303-I305 PolarHBondContact O-N 2.85Å; I305-V307 HydrophobicContact CG2-CG2 3.97Å | ||
| 306 | D | 56.9 | Low | 62.2 | Low | 150 Ų | 150 | 87.1 Ų | 87.1 | 80% | 0.802 | 50% | 0.503 | S | S | * | . | trans | -73.1 | 131.6 | 167.8 | -73.2 | -53.1 | 0 | 0 | 0 | 110.1 | ||||
| 307 | V | 59.4 | Low | 61.4 | Low | 56 Ų | 56 | 91 Ų | 91 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | trans | -125.6 | 121.1 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | L300 I305 I309 | L300-V307 HydrophobicContact CD1-CG2 3.68Å; I305-V307 HydrophobicContact CG2-CG2 3.97Å; V307-I309 HydrophobicContact CB-CD1 4.43Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 4.24Å; V307-I309 WeakPolarHBondContact O-CD1 3.45Å | ||
| 308 | D | 57 | Low | 60.6 | Low | 101 Ų | 101 | 92.5 Ų | 92.5 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | trans | -79.1 | 120.1 | 168.6 | -80.2 | -38.6 | 0 | 0 | 0 | 109.8 | K319 | D308-K319 WeakPolarHBondContact OD1-CE 3.18Å; D308-K319 IonicContact OD1-NZ 3.3Å; D308-K319 PolarHBondContact OD1-NZ 3.07Å; D308-K319 IonicContact OD2-NZ 3.41Å; D308-K319 PolarHBondContact OD2-NZ 3.29Å | ||
| 309 | I | 69.9 | Low | 59.9 | Low | 38 Ų | 38 | 94.6 Ų | 94.6 | 20% | 0.195 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.6 | 172.4 | -54.1 | 96.1 | 0 | 0 | 0 | 109.2 | G293 A297 V307 V311 V320 | G293-I309 WeakPolarHBondContact O-CD1 3.24Å; A297-I309 HydrophobicContact CB-CD1 4.1Å; V307-I309 HydrophobicContact CB-CD1 4.43Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 4.24Å; V307-I309 WeakPolarHBondContact O-CD1 3.45Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; I309-V320 PolarHBondContact O-N 3.32Å; I309-V320 VanDerWaalsContact O-N 3.12Å |
| 310 | D | 64.7 | Low | 59.2 | Low | 93 Ų | 93 | 89.1 Ų | 89.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.4 | 166.9 | -72.3 | -33.5 | 0 | 0 | 0 | 109.6 | K319 | D310-K319 WeakPolarHBondContact OD1-CA 3.27Å; D310-K319 WeakPolarHBondContact OD1-CB 3.4Å; D310-K319 WeakPolarHBondContact OD1-CG 3.41Å |
| 311 | V | 66.8 | Low | 58.4 | Low | 12 Ų | 12 | 91.2 Ų | 91.2 | 7% | 0.073 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.2 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | V286 L289 K290 I309 T318 | V286-V311 HydrophobicContact CG1-CG1 4.11Å; L289-V311 HydrophobicContact CB-CG1 4.06Å; L289-V311 HydrophobicContact CB-CG2 4.39Å; L289-V311 HydrophobicContact CD1-CG1 4.31Å; K290-V311 HydrophobicContact CG-CB 4.3Å; K290-V311 HydrophobicContact CG-CG2 3.9Å; I309-V311 HydrophobicContact CG2-CG2 4.06Å; V311-T318 PolarHBondContact N-O 2.92Å; V311-T318 PolarHBondContact O-N 2.83Å; V311-T318 PolarHBondContact O-OG1 3.26Å |
| 312 | E | 62.4 | Low | 57 | Low | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.8 | -179.1 | -172 | 162 | -154.5 | 0 | 0 | 112.2 | Q316 K317 | E312-Q316 WeakPolarHBondContact CA-O 3.36Å; E312-K317 HydrophobicContact CB-CG 4.01Å; E312-K317 VanDerWaalsContact CD-CG 3.43Å; E312-K317 HydrophobicContact CG-CG 3.85Å; E312-K317 WeakPolarHBondContact OE1-CE 3.46Å; E312-K317 WeakPolarHBondContact OE2-CE 3.24Å; E312-K317 IonicContact OE2-NZ 3.1Å |
| 313 | H | 56.8 | Low | 55.3 | Low | 71 Ų | 71 | 93 Ų | 93 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 135.7 | 169.9 | -166.6 | -87.5 | 0 | 0 | 0 | 109 | S282 V286 G315 Q316 | S282-H313 WeakPolarHBondContact CB-NE2 3.33Å; V286-H313 HydrophobicContact CG2-CB 3.8Å; H313-G315 PolarHBondContact O-N 3.44Å; H313-Q316 PolarHBondContact N-O 2.71Å; H313-Q316 PolarHBondContact O-N 3.32Å |
| 314 | E | 45.6 | Very low | 53.8 | Low | 180 Ų | 180 | 93.5 Ų | 93.5 | 84% | 0.841 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 33.2 | 177.8 | -71.1 | 162.6 | 143.8 | 0 | 0 | 114.7 | ||
| 315 | G | 53.7 | Low | 52.6 | Low | 61 Ų | 61 | 99.6 Ų | 99.6 | 63% | 0.629 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 11.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | H313 | H313-G315 PolarHBondContact O-N 3.44Š|
| 316 | Q | 47.6 | Very low | 51.2 | Low | 150 Ų | 150 | 100.9 Ų | 100.9 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.6 | 169.6 | -69 | -166.3 | -12.7 | 0 | 0 | 111.2 | E312 H313 | E312-Q316 WeakPolarHBondContact CA-O 3.36Å; H313-Q316 PolarHBondContact N-O 2.71Å; H313-Q316 PolarHBondContact O-N 3.32Å |
| 317 | K | 51.8 | Low | 49.8 | Very low | 144 Ų | 144 | 97.7 Ų | 97.7 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.1 | 173.2 | -64.3 | -179.8 | 175.5 | 178.7 | 0 | 110 | E312 | E312-K317 HydrophobicContact CB-CG 4.01Å; E312-K317 VanDerWaalsContact CD-CG 3.43Å; E312-K317 HydrophobicContact CG-CG 3.85Å; E312-K317 WeakPolarHBondContact OE1-CE 3.46Å; E312-K317 WeakPolarHBondContact OE2-CE 3.24Å; E312-K317 IonicContact OE2-NZ 3.1Å |
| 318 | T | 55.8 | Low | 48.4 | Very low | 55 Ų | 55 | 100.4 Ų | 100.4 | 34% | 0.337 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.5 | 109.9 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | K290 V311 | K290-T318 WeakPolarHBondContact CE-OG1 3.47Å; K290-T318 PolarHBondContact NZ-OG1 2.78Å; V311-T318 PolarHBondContact N-O 2.92Å; V311-T318 PolarHBondContact O-N 2.83Å; V311-T318 PolarHBondContact O-OG1 3.26Å |
| 319 | K | 54.3 | Low | 47 | Very low | 113 Ų | 113 | 98.9 Ų | 98.9 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.7 | 176.3 | -174.8 | 161.1 | 176.9 | 158.8 | 0 | 111.2 | D308 D310 | D308-K319 WeakPolarHBondContact OD1-CE 3.18Å; D308-K319 IonicContact OD1-NZ 3.3Å; D308-K319 PolarHBondContact OD1-NZ 3.07Å; D308-K319 IonicContact OD2-NZ 3.41Å; D308-K319 PolarHBondContact OD2-NZ 3.29Å; D310-K319 WeakPolarHBondContact OD1-CA 3.27Å; D310-K319 WeakPolarHBondContact OD1-CB 3.4Å; D310-K319 WeakPolarHBondContact OD1-CG 3.41Å |
| 320 | V | 55.1 | Low | 45.6 | Very low | 36 Ų | 36 | 103.6 Ų | 103.6 | 22% | 0.218 | 63% | 0.626 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.6 | 175.1 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | K290 E294 I309 | K290-V320 HydrophobicContact CG-CG2 4.28Å; E294-V320 HydrophobicContact CG-CG1 4.22Å; I309-V320 PolarHBondContact O-N 3.32Å; I309-V320 VanDerWaalsContact O-N 3.12Å |
| 321 | T | 44.9 | Very low | 43.8 | Very low | 96 Ų | 96 | 102 Ų | 102 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | trans | -134.1 | 126.3 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 322 | P | 39.8 | Very low | 41.9 | Very low | 91 Ų | 91 | 108.8 Ų | 108.8 | 59% | 0.591 | 67% | 0.667 | S | S | * | * | trans | -73.8 | 149.6 | -174.9 | 29.7 | -35.2 | 0 | 0 | 0 | 112.7 | T324 | P322-T324 PolarHBondContact O-N 3.23Š| ||
| 323 | P | 35.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 111 Ų | 111 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | -79.8 | 113.4 | -176.9 | 30.4 | -34.3 | 0 | 0 | 0 | 112.9 | Q325 | P323-Q325 PolarHBondContact O-N 3.17Š| ||
| 324 | T | 31.3 | Very low | 39.3 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -61.5 | 123.8 | 171.3 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | P322 S326 | P322-T324 PolarHBondContact O-N 3.23Å; T324-S326 PolarHBondContact O-N 3.3Å | ||
| 325 | Q | 32.3 | Very low | 38.4 | Very low | 196 Ų | 196 | 116.5 Ų | 116.5 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -78.3 | 105.1 | 175.8 | -67.3 | -174.2 | 13.7 | 0 | 0 | 111.1 | P323 | P323-Q325 PolarHBondContact O-N 3.17Š| ||
| 326 | S | 32.4 | Very low | 37.3 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 124 | 172.3 | 44.6 | 0 | 0 | 0 | 0 | 111.6 | T324 | T324-S326 PolarHBondContact O-N 3.3Š|
| 327 | G | 28.3 | Very low | 36.4 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 328 | A | 30.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 93% | 0.934 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -83 | 141.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 329 | G | 26.2 | Very low | 33.9 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -143.7 | 137.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 330 | P | 41.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -105.3 | 159.8 | -158.4 | 38.9 | -36.3 | 0 | 0 | 0 | 116.4 | ||||
| 331 | G | 27.7 | Very low | 31.3 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | trans | 96.7 | 145.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 332 | D | 26 | Very low | 30.5 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | cis | -160.5 | 168.7 | -7.6 | -88.7 | -48.2 | 0 | 0 | 0 | 110.1 | ||||
| 333 | V | 31.3 | Very low | 30 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 63.4 | 140 | 165.9 | -64.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 334 | E | 33.4 | Very low | 29.6 | Very low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -94.5 | 163.6 | 176.2 | -56.8 | 164.4 | 95.4 | 0 | 0 | 112.6 | ||||
| 335 | M | 27.3 | Very low | 29.4 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | 158.5 | 152.9 | 150.2 | -91.3 | 170.4 | -161.9 | 0 | 0 | 110.3 | ||||
| 336 | N | 29.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 66% | 0.658 | 79% | 0.794 | S | S | * | * | cis | -165.2 | 156.6 | -36 | -137.2 | 28.9 | 0 | 0 | 0 | 109.6 | ||||
| 337 | E | 28.9 | Very low | 29 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 64.9 | 158.4 | 150 | -73 | 166.7 | 120.9 | 0 | 0 | 123.5 | ||||
| 338 | D | 28.1 | Very low | 29 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 147.1 | 165.5 | -104.5 | -121.6 | 0 | 0 | 0 | 122.1 | ||||
| 339 | G | 28.6 | Very low | 29 | Very low | 61 Ų | 61 | 126.8 Ų | 126.8 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | cis | 161.1 | 145.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 340 | G | 26.4 | Very low | 29 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 73.6 | 127.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 341 | A | 27.9 | Very low | 28.4 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | cis | 95.8 | 127.1 | 16.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 342 | S | 27.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 70.3 | 150 | 161.7 | -24.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 343 | N | 28.1 | Very low | 28.5 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | cis | -146.5 | -177.3 | 33 | -106.5 | 21.9 | 0 | 0 | 0 | 113.2 | ||||
| 344 | E | 28 | Very low | 28.4 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | -97.4 | 179.8 | -166.8 | 63 | -96.3 | 38.6 | 0 | 0 | 118.8 | ||||
| 345 | D | 28.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 91.3 | 152.7 | 149.5 | -125.4 | -38 | 0 | 0 | 0 | 121.7 | ||||
| 346 | G | 28.1 | Very low | 28.3 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 122.7 | 109.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 347 | A | 28.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -113.9 | 164.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 348 | N | 26.7 | Very low | 28.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | 106.6 | 124.3 | 145.5 | -163.2 | 48.1 | 0 | 0 | 0 | 120.3 | ||||
| 349 | Q | 30.8 | Very low | 28.9 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 54.7 | 114.7 | 155.5 | -80.9 | 166.6 | 69.3 | 0 | 0 | 121.1 | ||||
| 350 | G | 26 | Very low | 29 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 177.9 | 104.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K352 | G350-K352 PolarHBondContact O-N 3.22Š| ||
| 351 | S | 29.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 144 Ų | 144 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 123.3 | -174.9 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 352 | K | 27.4 | Very low | 30.4 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 145.6 | 159.8 | -154.2 | 169.7 | -177.9 | -176.9 | 0 | 114.5 | G350 | G350-K352 PolarHBondContact O-N 3.22Š| ||
| 353 | V | 27.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 148 Ų | 148 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -62.8 | 130.2 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 354 | S | 28.9 | Very low | 30.9 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -142.4 | 141.6 | 134.9 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 355 | R | 29.2 | Very low | 31.1 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -128.6 | 127.4 | -176.9 | -170.4 | 173.9 | -175.6 | 153.7 | -0.6 | 108 | ||||
| 356 | D | 29.9 | Very low | 31.4 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 135.2 | 171.8 | -176.6 | 41.8 | 0 | 0 | 0 | 110.8 | ||||
| 357 | S | 31 | Very low | 31.6 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -180 | 89.4 | 172.2 | -100.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 358 | D | 32 | Very low | 32 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -67.4 | 169.8 | 146.5 | -75.6 | -56 | 0 | 0 | 0 | 110.1 | ||||
| 359 | E | 36.6 | Very low | 32.3 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 53 | 107.9 | 161.9 | -62.2 | 179 | 137.6 | 0 | 0 | 119.6 | ||||
| 360 | E | 29.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -146.7 | 134.4 | 129.7 | -156.6 | 172.4 | 72.2 | 0 | 0 | 112.1 | |||||
| 361 | W | 37.8 | Very low | 32.9 | Very low | 229 Ų | 229 | 152.8 Ų | 152.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -82.6 | 152 | 174.6 | -75.5 | 66.6 | 0 | 0 | 0 | 110.9 | H363 | W361-H363 PolarHBondContact O-N 3.46Š| ||
| 362 | T | 45.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 86.3 | -173.6 | -45.7 | 0 | 0 | 0 | 0 | 113.5 | L364 | T362-L364 HydrophobicContact CG2-CG 4.43Š| ||
| 363 | H | 35.1 | Very low | 33.6 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | -88.6 | 102.8 | 176.4 | -178.6 | -103.4 | 0 | 0 | 0 | 111.8 | W361 S365 | W361-H363 PolarHBondContact O-N 3.46Å; H363-S365 PolarHBondContact O-N 3.14Å | ||
| 364 | L | 32.6 | Very low | 34 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -92.9 | 90.5 | 174.7 | -70 | 177.9 | 0 | 0 | 0 | 111.2 | T362 | T362-L364 HydrophobicContact CG2-CG 4.43Š| ||
| 365 | S | 30.8 | Very low | 34 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 143.9 | 173.2 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | H363 | H363-S365 PolarHBondContact O-N 3.14Š| ||
| 366 | S | 36.1 | Very low | 34.2 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -63.5 | 132.4 | -180 | -55 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 367 | K | 31.3 | Very low | 34.1 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -165.2 | 134.9 | 169.6 | -131.6 | 157.6 | -175.9 | 176.5 | 0 | 110.6 | ||||
| 368 | E | 36.8 | Very low | 34 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | cis | -153.7 | 162.3 | -13.4 | -125.9 | 155.9 | -161.1 | 0 | 0 | 107.1 | ||||
| 369 | V | 34.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -118.1 | 137.1 | 173.4 | -177.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 370 | D | 30.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 121.5 | -166.7 | -158.8 | -32 | 0 | 0 | 0 | 113 | S372 | D370-S372 PolarHBondContact O-N 3.22Š| ||
| 371 | P | 39.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -93 | 89.1 | -175.6 | 35.4 | -33.2 | 0 | 0 | 0 | 112.8 | ||||
| 372 | S | 32.9 | Very low | 34 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 144.6 | 169.1 | -161.6 | 0 | 0 | 0 | 0 | 114.5 | D370 | D370-S372 PolarHBondContact O-N 3.22Š| ||
| 373 | T | 38.7 | Very low | 33.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 50.3 | 90.4 | 175.6 | 55.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 374 | G | 35.3 | Very low | 33 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -107 | 129.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 375 | E | 29.5 | Very low | 32.9 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -144.6 | 169.2 | 160.4 | -83.8 | -142.7 | 94.3 | 0 | 0 | 109.3 | ||||
| 376 | L | 32.7 | Very low | 33.3 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -133.4 | 160.3 | -169.7 | -97.9 | 172.3 | 0 | 0 | 0 | 112.5 | ||||
| 377 | Q | 27.2 | Very low | 34.1 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 76.7 | 120.4 | 164.4 | -66.2 | 175.6 | 0.5 | 0 | 0 | 120.1 | ||||
| 378 | S | 29.7 | Very low | 34 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 69.8 | 119.6 | 135.3 | -157.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 379 | L | 25.1 | Very low | 34.3 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | -167.9 | 153.5 | 109.6 | -99.5 | 170.7 | 0 | 0 | 0 | 112.1 | |||||
| 380 | Q | 29.9 | Very low | 34 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -157.8 | 165.3 | -177.3 | -164.7 | 170 | 24 | 0 | 0 | 106 | ||||
| 381 | P | 51.7 | Low | 34 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -97.1 | -151.8 | -8.4 | -4.6 | 30.6 | 0 | 0 | 0 | 112.3 | ||||
| 382 | D | 29.8 | Very low | 33.9 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | cis | -164.5 | 162.2 | 33.4 | -142.1 | -41.5 | 0 | 0 | 0 | 113.9 | ||||
| 383 | G | 29.5 | Very low | 33.9 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 150.8 | 85.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 384 | R | 29.7 | Very low | 34.1 | Very low | 244 Ų | 244 | 140.7 Ų | 140.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -71.4 | 135.8 | -177.1 | -73.8 | 171.7 | 160.3 | 161.9 | -6.2 | 115.7 | ||||
| 385 | A | 30 | Very low | 34.2 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -171.6 | 128.4 | 129.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 386 | P | 40.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -118.9 | -174 | 171 | 42.3 | -31.9 | 0 | 0 | 0 | 112.5 | ||||
| 387 | P | 52 | Low | 35.7 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -127.2 | -176.2 | -59 | 40.4 | -26.1 | 0 | 0 | 0 | 111.6 | |||||
| 388 | E | 30.2 | Very low | 36.6 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -177.5 | 160.1 | 141.9 | -99.1 | -62 | 86.2 | 0 | 0 | 109.4 | ||||
| 389 | P | 42.1 | Very low | 37.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -91.3 | 170.4 | -168.3 | 37.5 | -36.8 | 0 | 0 | 0 | 113.9 | ||||
| 390 | G | 28.4 | Very low | 38.5 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | cis | 164.2 | 116.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 391 | A | 30.9 | Very low | 39.4 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | trans | -112 | 147 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q393 | A391-Q393 PolarHBondContact O-N 3.46Š| ||
| 392 | P | 36.5 | Very low | 39.3 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.5 | -172 | 25.4 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 393 | Q | 33.8 | Very low | 40.1 | Very low | 188 Ų | 188 | 117.5 Ų | 117.5 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 156.3 | 174.3 | -69.3 | -179.4 | -17 | 0 | 0 | 110.9 | A391 G395 | A391-Q393 PolarHBondContact O-N 3.46Å; Q393-G395 PolarHBondContact O-N 3.17Å |
| 394 | Q | 42.8 | Very low | 41.3 | Very low | 201 Ų | 201 | 120.1 Ų | 120.1 | 94% | 0.939 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 120 | 179.3 | -68 | 165.3 | -33.3 | 0 | 0 | 109.9 | ||
| 395 | G | 36.1 | Very low | 42.6 | Very low | 57 Ų | 57 | 112.4 Ų | 112.4 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 168.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q393 | Q393-G395 PolarHBondContact O-N 3.17Š|
| 396 | P | 42.6 | Very low | 44 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.2 | 178.9 | 26.7 | -35.4 | 0 | 0 | 0 | 111.9 | G398 L399 | P396-G398 VanDerWaalsContact C-N 3.27Å; P396-G398 PolarHBondContact O-N 3.1Å; P396-G398 VanDerWaalsContact O-N 3.1Å; P396-L399 HydrophobicContact CG-CD1 4.02Å; P396-L399 HydrophobicContact CG-CG 4.36Å; P396-L399 PolarHBondContact O-N 3.41Å; P396-L399 VanDerWaalsContact O-N 3.15Å |
| 397 | T | 51 | Low | 44.8 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -36.1 | -166.2 | -38.4 | 0 | 0 | 0 | 0 | 114.1 | L399 R400 | T397-L399 VanDerWaalsContact C-N 3.25Å; T397-L399 PolarHBondContact O-N 3.21Å; T397-R400 WeakPolarHBondContact O-CB 3.45Å; T397-R400 PolarHBondContact O-N 3.41Å |
| 398 | G | 46.8 | Very low | 45.4 | Very low | 38 Ų | 38 | 109.2 Ų | 109.2 | 39% | 0.392 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.9 | -26.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P396 R400 E401 A402 | P396-G398 VanDerWaalsContact C-N 3.27Å; P396-G398 PolarHBondContact O-N 3.1Å; P396-G398 VanDerWaalsContact O-N 3.1Å; G398-R400 PolarHBondContact O-N 2.87Å; G398-E401 PolarHBondContact O-N 2.8Å; G398-A402 PolarHBondContact O-N 2.89Å |
| 399 | L | 47.1 | Very low | 46.9 | Very low | 105 Ų | 105 | 103.3 Ų | 103.3 | 55% | 0.55 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.3 | -15.3 | 174.3 | -69.2 | 175.6 | 0 | 0 | 0 | 113 | P396 T397 | P396-L399 HydrophobicContact CG-CD1 4.02Å; P396-L399 HydrophobicContact CG-CG 4.36Å; P396-L399 PolarHBondContact O-N 3.41Å; P396-L399 VanDerWaalsContact O-N 3.15Å; T397-L399 VanDerWaalsContact C-N 3.25Å; T397-L399 PolarHBondContact O-N 3.21Å |
| 400 | R | 47 | Very low | 47.7 | Very low | 214 Ų | 214 | 107.6 Ų | 107.6 | 81% | 0.808 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -89.6 | -31.8 | 176.7 | -160.4 | 177.3 | -177.2 | -154.7 | -3 | 112.6 | T397 G398 A402 A403 | T397-R400 WeakPolarHBondContact O-CB 3.45Å; T397-R400 PolarHBondContact O-N 3.41Å; G398-R400 PolarHBondContact O-N 2.87Å; R400-A402 VanDerWaalsContact C-N 3.31Å; R400-A403 PolarHBondContact O-N 3.17Å |
| 401 | E | 48.6 | Very low | 49.1 | Very low | 112 Ų | 112 | 112.9 Ų | 112.9 | 52% | 0.523 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.1 | -40.3 | 169.5 | -125.7 | 71 | -150.9 | 0 | 0 | 110.9 | G398 A403 L404 | G398-E401 PolarHBondContact O-N 2.8Å; E401-A403 PolarHBondContact O-N 2.88Å; E401-A403 VanDerWaalsContact O-N 3.09Å; E401-L404 WeakPolarHBondContact O-CB 3.31Å; E401-L404 PolarHBondContact O-N 3.43Å; E401-L404 VanDerWaalsContact O-N 3.1Å |
| 402 | A | 49.3 | Very low | 50.7 | Low | 19 Ų | 19 | 110 Ų | 110 | 16% | 0.157 | 60% | 0.601 | C | S | . | * | G | 310 helix | trans | -56.3 | -27.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G398 R400 L404 Y405 L408 V417 | G398-A402 PolarHBondContact O-N 2.89Å; R400-A402 VanDerWaalsContact C-N 3.31Å; A402-L404 PolarHBondContact O-N 2.99Å; A402-Y405 PolarHBondContact O-N 2.61Å; A402-L408 HydrophobicContact CB-CD2 3.96Å; A402-V417 HydrophobicContact CB-CG1 3.6Å |
| 403 | A | 48.2 | Very low | 52.6 | Low | 90 Ų | 90 | 107.4 Ų | 107.4 | 74% | 0.744 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -72.4 | -1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R400 E401 | R400-A403 PolarHBondContact O-N 3.17Å; E401-A403 PolarHBondContact O-N 2.88Å; E401-A403 VanDerWaalsContact O-N 3.09Å |
| 404 | L | 53.5 | Low | 54.8 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -93.4 | -5.7 | 177.8 | -72.9 | 157 | 0 | 0 | 0 | 114.2 | E401 A402 P406 | E401-L404 WeakPolarHBondContact O-CB 3.31Å; E401-L404 PolarHBondContact O-N 3.43Å; E401-L404 VanDerWaalsContact O-N 3.1Å; A402-L404 PolarHBondContact O-N 2.99Å; L404-P406 WeakPolarHBondContact O-CD 3.12Å |
| 405 | Y | 57.3 | Low | 56.6 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | trans | -109.2 | 106 | -172.2 | -76.5 | -90.3 | 0 | 0 | 0 | 112.9 | A402 H407 L408 L424 D430 | A402-Y405 PolarHBondContact O-N 2.61Å; Y405-H407 PolarHBondContact O-N 2.77Å; Y405-H407 VanDerWaalsContact O-N 3.14Å; Y405-L408 PolarHBondContact O-N 2.94Å; Y405-L424 HydrophobicContact CE1-CD1 4.07Å; Y405-L424 HydrophobicContact CE1-CD2 4.3Å; Y405-L424 HydrophobicContact CE2-CD1 3.85Å; Y405-L424 VanDerWaalsContact CZ-CD1 3.48Å; Y405-L424 WeakPolarHBondContact OH-CD1 3.45Å; Y405-D430 HydrophobicContact CE1-CB 4.2Å | ||
| 406 | P | 58.8 | Low | 59.1 | Low | 122 Ų | 122 | 96 Ų | 96 | 79% | 0.792 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.4 | -178.8 | -22.2 | 34.4 | 0 | 0 | 0 | 115.1 | L404 | L404-P406 WeakPolarHBondContact O-CD 3.12Š|
| 407 | H | 58.3 | Low | 61.2 | Low | 105 Ų | 105 | 92.2 Ų | 92.2 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.3 | -179 | -59.1 | -60.7 | 0 | 0 | 0 | 113.5 | Y405 P409 | Y405-H407 PolarHBondContact O-N 2.77Å; Y405-H407 VanDerWaalsContact O-N 3.14Å; H407-P409 WeakPolarHBondContact O-CD 3.24Å |
| 408 | L | 64.2 | Low | 62.9 | Low | 36 Ų | 36 | 93.5 Ų | 93.5 | 19% | 0.188 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -74 | 126.4 | 177.6 | -166.2 | 77.2 | 0 | 0 | 0 | 109.8 | A402 Y405 Q410 A412 V417 L420 | A402-L408 HydrophobicContact CB-CD2 3.96Å; Y405-L408 PolarHBondContact O-N 2.94Å; L408-Q410 PolarHBondContact O-N 3.44Å; L408-A412 HydrophobicContact CD1-CB 4.03Å; L408-A412 HydrophobicContact CD2-CB 4.34Å; L408-A412 HydrophobicContact CG-CB 3.93Å; L408-V417 HydrophobicContact CD1-CG2 4.36Å; L408-V417 HydrophobicContact CD2-CG2 4.1Å; L408-L420 HydrophobicContact CD1-CD2 4.1Å |
| 409 | P | 62.6 | Low | 65 | Low | 53 Ų | 53 | 92 Ų | 92 | 34% | 0.344 | 47% | 0.47 | S | S | . | . | trans | -57 | 137.5 | 172.4 | -24.8 | 34.5 | 0 | 0 | 0 | 111.1 | H407 E411 A412 | H407-P409 WeakPolarHBondContact O-CD 3.24Å; P409-E411 PolarHBondContact O-N 3.43Å; P409-A412 HydrophobicContact CB-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.4Å; P409-A412 PolarHBondContact O-N 3.31Å | ||
| 410 | Q | 56.8 | Low | 67.1 | Low | 202 Ų | 202 | 87.4 Ų | 87.4 | 94% | 0.944 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.8 | -178 | -164.5 | 161.5 | -1.5 | 0 | 0 | 113.6 | L408 | L408-Q410 PolarHBondContact O-N 3.44Š|
| 411 | E | 59.2 | Low | 68.9 | Low | 189 Ų | 189 | 78.9 Ų | 78.9 | 88% | 0.883 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 27.7 | 177.1 | -67.7 | 148.1 | -164.4 | 0 | 0 | 111.3 | P409 | P409-E411 PolarHBondContact O-N 3.43Š|
| 412 | A | 63.4 | Low | 70.8 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | trans | -60 | 137 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L408 P409 L416 V417 | L408-A412 HydrophobicContact CD1-CB 4.03Å; L408-A412 HydrophobicContact CD2-CB 4.34Å; L408-A412 HydrophobicContact CG-CB 3.93Å; P409-A412 HydrophobicContact CB-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.4Å; P409-A412 PolarHBondContact O-N 3.31Å; A412-L416 HydrophobicContact CB-CD2 4.39Å; A412-V417 HydrophobicContact CB-CG2 4.1Å | ||
| 413 | D | 76.8 | Confident | 72.7 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | trans | -55.8 | 129.5 | 171.8 | -178.2 | -21.7 | 0 | 0 | 0 | 109.8 | R415 L416 V417 | D413-R415 PolarHBondContact O-N 2.97Å; D413-R415 VanDerWaalsContact O-N 3.1Å; D413-R415 VanDerWaalsContact OD1-CB 3.3Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 PolarHBondContact OD1-N 3.47Å; D413-L416 HydrophobicContact CB-CB 4.23Å; D413-L416 WeakPolarHBondContact O-CA 3.42Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.27Å; D413-V417 PolarHBondContact O-N 3.42Å | ||
| 414 | P | 80.8 | Confident | 74.6 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.6 | -32.6 | 176.1 | 21.1 | -33.6 | 0 | 0 | 0 | 113.1 | L416 V417 E418 | P414-L416 VanDerWaalsContact C-N 3.33Å; P414-L416 PolarHBondContact O-N 3.11Å; P414-V417 PolarHBondContact O-N 3.24Å; P414-E418 WeakPolarHBondContact O-CG 3.36Å; P414-E418 PolarHBondContact O-N 3.24Å |
| 415 | R | 80.9 | Confident | 76.2 | Confident | 115 Ų | 115 | 71 Ų | 71 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 174.9 | -176.4 | -178.1 | 167.8 | 179.9 | -5.8 | 112.5 | D413 S419 N443 G444 | D413-R415 PolarHBondContact O-N 2.97Å; D413-R415 VanDerWaalsContact O-N 3.1Å; D413-R415 VanDerWaalsContact OD1-CB 3.3Å; D413-R415 WeakPolarHBondContact OD1-CB 3.33Å; D413-R415 PolarHBondContact OD1-N 3.47Å; R415-S419 VanDerWaalsContact O-CB 3.32Å; R415-S419 WeakPolarHBondContact O-CB 3.45Å; R415-S419 PolarHBondContact O-N 3.34Å; R415-S419 PolarHBondContact O-OG 3.43Å; R415-N443 PolarHBondContact NE-O 3.21Å; R415-G444 VanDerWaalsContact CZ-O 3.27Å; R415-G444 PolarHBondContact NE-O 3.15Å; R415-G444 PolarHBondContact NH2-O 3.1Å |
| 416 | L | 87.6 | Confident | 77.5 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 175.1 | 175.4 | 64.5 | 0 | 0 | 0 | 110.5 | A412 D413 P414 S419 L420 L439 Q440 | A412-L416 HydrophobicContact CB-CD2 4.39Å; D413-L416 HydrophobicContact CB-CB 4.23Å; D413-L416 WeakPolarHBondContact O-CA 3.42Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.27Å; P414-L416 VanDerWaalsContact C-N 3.33Å; P414-L416 PolarHBondContact O-N 3.11Å; L416-S419 PolarHBondContact O-N 3.48Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.41Å; L416-L439 HydrophobicContact CD1-CB 3.51Å; L416-Q440 HydrophobicContact CD1-CB 4.4Å; L416-Q440 HydrophobicContact CD2-CB 4.42Å |
| 417 | V | 86.9 | Confident | 78.8 | Confident | 15 Ų | 15 | 70 Ų | 70 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | A402 L408 A412 D413 P414 S419 L420 A421 | A402-V417 HydrophobicContact CB-CG1 3.6Å; L408-V417 HydrophobicContact CD1-CG2 4.36Å; L408-V417 HydrophobicContact CD2-CG2 4.1Å; A412-V417 HydrophobicContact CB-CG2 4.1Å; D413-V417 PolarHBondContact O-N 3.42Å; P414-V417 PolarHBondContact O-N 3.24Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 3.29Å; V417-L420 PolarHBondContact O-N 3.38Å; V417-A421 WeakPolarHBondContact O-CB 3.49Å; V417-A421 PolarHBondContact O-N 3.38Å |
| 418 | E | 86.8 | Confident | 80.1 | Confident | 141 Ų | 141 | 67.8 Ų | 67.8 | 66% | 0.659 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 176.3 | -72.5 | 175.7 | 176.6 | 0 | 0 | 111.9 | P414 A422 | P414-E418 WeakPolarHBondContact O-CG 3.36Å; P414-E418 PolarHBondContact O-N 3.24Å; E418-A422 WeakPolarHBondContact O-CB 3.23Å; E418-A422 PolarHBondContact O-N 2.89Å |
| 419 | S | 91.5 | Very high | 81.2 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | R415 L416 V417 A422 M423 G444 | R415-S419 VanDerWaalsContact O-CB 3.32Å; R415-S419 WeakPolarHBondContact O-CB 3.45Å; R415-S419 PolarHBondContact O-N 3.34Å; R415-S419 PolarHBondContact O-OG 3.43Å; L416-S419 PolarHBondContact O-N 3.48Å; V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 3.29Å; S419-A422 PolarHBondContact O-N 3.46Å; S419-M423 PolarHBondContact O-N 3Å; S419-G444 WeakPolarHBondContact OG-CA 3.44Å; S419-G444 PolarHBondContact OG-O 3.44Å |
| 420 | L | 90 | Very high | 82.4 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 177.4 | -177.7 | 65.8 | 0 | 0 | 0 | 110.5 | L408 L416 V417 A422 M423 L424 D430 L435 T436 L439 | L408-L420 HydrophobicContact CD1-CD2 4.1Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.41Å; V417-L420 PolarHBondContact O-N 3.38Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 2.91Å; L420-M423 PolarHBondContact O-N 3.09Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.4Å; L420-L424 HydrophobicContact CG-CD1 3.87Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.48Å; L420-D430 HydrophobicContact CD1-CB 4.42Å; L420-L435 HydrophobicContact CD1-CB 4.33Å; L420-L435 HydrophobicContact CD1-CD2 3.97Å; L420-L435 HydrophobicContact CD1-CG 3.97Å; L420-T436 VanDerWaalsContact CD2-OG1 3.31Å; L420-T436 WeakPolarHBondContact CD2-OG1 3.33Å; L420-L439 VanDerWaalsContact CA-CD1 3.48Å; L420-L439 HydrophobicContact CB-CD1 3.99Å; L420-L439 HydrophobicContact CD1-CD1 4.1Å |
| 421 | A | 85.8 | Confident | 83.6 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.5 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V417 S425 | V417-A421 WeakPolarHBondContact O-CB 3.49Å; V417-A421 PolarHBondContact O-N 3.38Å; A421-S425 WeakPolarHBondContact O-CB 3.36Å; A421-S425 PolarHBondContact O-N 2.9Å; A421-S425 PolarHBondContact O-OG 3.39Å |
| 422 | A | 88.8 | Confident | 84.7 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E418 S419 L420 S425 M426 I446 | E418-A422 WeakPolarHBondContact O-CB 3.23Å; E418-A422 PolarHBondContact O-N 2.89Å; S419-A422 PolarHBondContact O-N 3.46Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 2.91Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.45Å; A422-M426 WeakPolarHBondContact O-CG 3.28Å; A422-M426 PolarHBondContact O-N 2.99Å; A422-I446 HydrophobicContact CB-CD1 3.62Å |
| 423 | M | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 178.4 | -69.2 | -164.4 | 75.8 | 0 | 0 | 112.8 | S419 L420 S425 M426 G427 F428 L435 L439 I446 A449 L450 I453 | S419-M423 PolarHBondContact O-N 3Å; L420-M423 PolarHBondContact O-N 3.09Å; M423-S425 VanDerWaalsContact C-N 3.32Å; M423-S425 PolarHBondContact O-N 3.27Å; M423-M426 WeakPolarHBondContact O-CB 3.37Å; M423-M426 PolarHBondContact O-N 3.3Å; M423-M426 VanDerWaalsContact O-N 3.11Å; M423-G427 PolarHBondContact O-N 2.97Å; M423-F428 HydrophobicContact CB-CD2 4.48Å; M423-F428 HydrophobicContact CE-CD2 4.13Å; M423-F428 HydrophobicContact CE-CE2 4.18Å; M423-F428 HydrophobicContact CE-CG 4.32Å; M423-F428 HydrophobicContact CE-CZ 4.42Å; M423-F428 WeakPolarHBondContact O-CD2 3.35Å; M423-F428 PolarHBondContact O-N 3.18Å; M423-L435 HydrophobicContact CB-CD1 4.29Å; M423-L435 HydrophobicContact CB-CD2 4.02Å; M423-L435 HydrophobicContact CB-CG 4.48Å; M423-L435 HydrophobicContact CE-CD1 3.77Å; M423-L435 HydrophobicContact SD-CD1 3.82Å; M423-L439 HydrophobicContact CG-CD1 4.39Å; M423-L439 HydrophobicContact SD-CD1 3.98Å; M423-L439 HydrophobicContact SD-CD2 3.72Å; M423-L439 HydrophobicContact SD-CG 3.97Å; M423-I446 HydrophobicContact CG-CG1 4.33Å; M423-I446 HydrophobicContact CG-CG2 3.85Å; M423-I446 HydrophobicContact SD-CG2 4.2Å; M423-A449 HydrophobicContact CE-CB 4.38Å; M423-A449 HydrophobicContact SD-CB 3.99Å; M423-L450 HydrophobicContact CE-CD2 3.78Å; M423-L450 HydrophobicContact CE-CG 4.09Å; M423-I453 HydrophobicContact CE-CD1 3.92Å |
| 424 | L | 87.4 | Confident | 86.4 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 170.3 | -67.3 | 164.9 | 0 | 0 | 0 | 111.2 | Y405 L420 M426 G427 F428 D430 L435 | Y405-L424 HydrophobicContact CE1-CD1 4.07Å; Y405-L424 HydrophobicContact CE1-CD2 4.3Å; Y405-L424 HydrophobicContact CE2-CD1 3.85Å; Y405-L424 VanDerWaalsContact CZ-CD1 3.48Å; Y405-L424 WeakPolarHBondContact OH-CD1 3.45Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.4Å; L420-L424 HydrophobicContact CG-CD1 3.87Å; L420-L424 HydrophobicContact CG-CG 4.41Å; L420-L424 WeakPolarHBondContact O-CB 3.46Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.48Å; L424-M426 PolarHBondContact O-N 3.3Å; L424-G427 PolarHBondContact O-N 2.89Å; L424-F428 WeakPolarHBondContact CD2-O 3.36Å; L424-D430 HydrophobicContact CD2-CB 4.3Å; L424-L435 HydrophobicContact CD2-CD2 4.29Å; L424-L435 HydrophobicContact CG-CD2 4.48Å |
| 425 | S | 87.6 | Confident | 86.8 | Confident | 108 Ų | 108 | 55 Ų | 55 | 76% | 0.755 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.2 | -19.9 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 113.8 | A421 A422 M423 G427 | A421-S425 WeakPolarHBondContact O-CB 3.36Å; A421-S425 PolarHBondContact O-N 2.9Å; A421-S425 PolarHBondContact O-OG 3.39Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.45Å; M423-S425 VanDerWaalsContact C-N 3.32Å; M423-S425 PolarHBondContact O-N 3.27Å; S425-G427 VanDerWaalsContact C-N 3.29Å |
| 426 | M | 83.4 | Confident | 87.2 | Confident | 111 Ų | 111 | 49.6 Ų | 49.6 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 2 | 171.4 | -67.7 | 174.6 | 65.7 | 0 | 0 | 113.2 | A422 M423 L424 F428 L450 | A422-M426 WeakPolarHBondContact O-CG 3.28Å; A422-M426 PolarHBondContact O-N 2.99Å; M423-M426 WeakPolarHBondContact O-CB 3.37Å; M423-M426 PolarHBondContact O-N 3.3Å; M423-M426 VanDerWaalsContact O-N 3.11Å; L424-M426 PolarHBondContact O-N 3.3Å; M426-F428 HydrophobicContact CB-CD2 4.05Å; M426-F428 HydrophobicContact CB-CE2 4.2Å; M426-F428 HydrophobicContact CE-CE2 4.49Å; M426-L450 HydrophobicContact CE-CD1 4.01Å; M426-L450 HydrophobicContact CE-CD2 4.37Å |
| 427 | G | 86.2 | Confident | 87.3 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 74% | 0.742 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 14.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M423 L424 S425 | M423-G427 PolarHBondContact O-N 2.97Å; L424-G427 PolarHBondContact O-N 2.89Å; S425-G427 VanDerWaalsContact C-N 3.29Å |
| 428 | F | 86.7 | Confident | 87.5 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | trans | -79.8 | 148.8 | 166.5 | -65.8 | -92.8 | 0 | 0 | 0 | 110.3 | M423 L424 M426 W434 L435 L450 I453 | M423-F428 HydrophobicContact CB-CD2 4.48Å; M423-F428 HydrophobicContact CE-CD2 4.13Å; M423-F428 HydrophobicContact CE-CE2 4.18Å; M423-F428 HydrophobicContact CE-CG 4.32Å; M423-F428 HydrophobicContact CE-CZ 4.42Å; M423-F428 WeakPolarHBondContact O-CD2 3.35Å; M423-F428 PolarHBondContact O-N 3.18Å; L424-F428 WeakPolarHBondContact CD2-O 3.36Å; M426-F428 HydrophobicContact CB-CD2 4.05Å; M426-F428 HydrophobicContact CB-CE2 4.2Å; M426-F428 HydrophobicContact CE-CE2 4.49Å; F428-W434 HydrophobicContact CD1-CH2 4.32Å; F428-L435 HydrophobicContact CB-CD1 4.42Å; F428-L435 HydrophobicContact CB-CD2 3.8Å; F428-L450 HydrophobicContact CE2-CD2 3.73Å; F428-L450 HydrophobicContact CZ-CD2 3.57Å; F428-I453 HydrophobicContact CD1-CD1 4.29Å; F428-I453 HydrophobicContact CE1-CD1 3.86Å; F428-I453 HydrophobicContact CE1-CG2 4.34Å; F428-I453 HydrophobicContact CZ-CD1 4.48Å | ||
| 429 | S | 86.1 | Confident | 87.7 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | trans | -106.2 | 151.4 | 172.1 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | W434 | S429-W434 PolarHBondContact O-NE1 2.89Š| ||
| 430 | D | 88.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | trans | -106.4 | 41.3 | 176 | -168.2 | 33.8 | 0 | 0 | 0 | 112.2 | Y405 L420 L424 G432 G433 W434 L435 T436 | Y405-D430 HydrophobicContact CE1-CB 4.2Å; L420-D430 HydrophobicContact CD1-CB 4.42Å; L424-D430 HydrophobicContact CD2-CB 4.3Å; D430-G432 PolarHBondContact O-N 3.25Å; D430-G432 VanDerWaalsContact O-N 3.08Å; D430-G433 PolarHBondContact O-N 3.45Å; D430-G433 WeakPolarHBondContact OD1-CA 3.41Å; D430-W434 PolarHBondContact OD1-N 2.88Å; D430-L435 HydrophobicContact CB-CB 3.98Å; D430-L435 HydrophobicContact CB-CD2 4.43Å; D430-L435 WeakPolarHBondContact OD1-CA 3.44Å; D430-L435 VanDerWaalsContact OD1-CB 3.24Å; D430-L435 WeakPolarHBondContact OD1-CB 3.48Å; D430-L435 PolarHBondContact OD1-N 3.06Å; D430-T436 PolarHBondContact OD1-N 2.72Å; D430-T436 WeakPolarHBondContact OD2-CB 3.4Å; D430-T436 PolarHBondContact OD2-OG1 2.98Å | ||
| 431 | E | 83 | Confident | 87.6 | Confident | 158 Ų | 158 | 56.8 Ų | 56.8 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.7 | 112.9 | -178.4 | -70.6 | -176.2 | -177.3 | 0 | 0 | 111.2 | G433 | E431-G433 VanDerWaalsContact C-N 3.34Š|
| 432 | G | 80.9 | Confident | 87.8 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | 74.5 | 16.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | D430 W434 | D430-G432 PolarHBondContact O-N 3.25Å; D430-G432 VanDerWaalsContact O-N 3.08Å; G432-W434 PolarHBondContact O-N 3.1Å |
| 433 | G | 86.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | 78.8 | 11.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D430 E431 L435 T436 H437 | D430-G433 PolarHBondContact O-N 3.45Å; D430-G433 WeakPolarHBondContact OD1-CA 3.41Å; E431-G433 VanDerWaalsContact C-N 3.34Å; G433-L435 VanDerWaalsContact C-N 3.32Å; G433-L435 PolarHBondContact O-N 3.21Å; G433-T436 PolarHBondContact O-N 3.21Å; G433-H437 WeakPolarHBondContact O-CB 3.46Å; G433-H437 PolarHBondContact O-CD2 3.24Å; G433-H437 VanDerWaalsContact O-CD2 3.22Å; G433-H437 PolarHBondContact O-N 3.46Å |
| 434 | W | 89.6 | Confident | 87.6 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | -175.8 | 80.3 | -86.9 | 0 | 0 | 0 | 113.3 | F428 S429 D430 G432 L438 I453 | F428-W434 HydrophobicContact CD1-CH2 4.32Å; S429-W434 PolarHBondContact O-NE1 2.89Å; D430-W434 PolarHBondContact OD1-N 2.88Å; G432-W434 PolarHBondContact O-N 3.1Å; W434-L438 HydrophobicContact CE3-CD2 4.42Å; W434-L438 HydrophobicContact CZ3-CD2 3.8Å; W434-L438 VanDerWaalsContact O-CB 3.31Å; W434-L438 WeakPolarHBondContact O-CB 3.33Å; W434-L438 PolarHBondContact O-N 3.15Å; W434-I453 HydrophobicContact CH2-CD1 3.88Å; W434-I453 HydrophobicContact CH2-CG1 4.36Å; W434-I453 HydrophobicContact CZ3-CD1 4.08Å; W434-I453 HydrophobicContact CZ3-CG1 4.23Å |
| 435 | L | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -77.9 | -40.2 | -179.2 | -174.2 | 66 | 0 | 0 | 0 | 109.7 | L420 M423 L424 F428 D430 G433 L438 L439 | L420-L435 HydrophobicContact CD1-CB 4.33Å; L420-L435 HydrophobicContact CD1-CD2 3.97Å; L420-L435 HydrophobicContact CD1-CG 3.97Å; M423-L435 HydrophobicContact CB-CD1 4.29Å; M423-L435 HydrophobicContact CB-CD2 4.02Å; M423-L435 HydrophobicContact CB-CG 4.48Å; M423-L435 HydrophobicContact CE-CD1 3.77Å; M423-L435 HydrophobicContact SD-CD1 3.82Å; L424-L435 HydrophobicContact CD2-CD2 4.29Å; L424-L435 HydrophobicContact CG-CD2 4.48Å; F428-L435 HydrophobicContact CB-CD1 4.42Å; F428-L435 HydrophobicContact CB-CD2 3.8Å; D430-L435 HydrophobicContact CB-CB 3.98Å; D430-L435 HydrophobicContact CB-CD2 4.43Å; D430-L435 WeakPolarHBondContact OD1-CA 3.44Å; D430-L435 VanDerWaalsContact OD1-CB 3.24Å; D430-L435 WeakPolarHBondContact OD1-CB 3.48Å; D430-L435 PolarHBondContact OD1-N 3.06Å; G433-L435 VanDerWaalsContact C-N 3.32Å; G433-L435 PolarHBondContact O-N 3.21Å; L435-L438 PolarHBondContact O-N 2.96Å; L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.89Å |
| 436 | T | 89.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 168.7 | -71.6 | 0 | 0 | 0 | 0 | 111 | L420 D430 G433 L439 Q440 | L420-T436 VanDerWaalsContact CD2-OG1 3.31Å; L420-T436 WeakPolarHBondContact CD2-OG1 3.33Å; D430-T436 PolarHBondContact OD1-N 2.72Å; D430-T436 WeakPolarHBondContact OD2-CB 3.4Å; D430-T436 PolarHBondContact OD2-OG1 2.98Å; G433-T436 PolarHBondContact O-N 3.21Å; T436-L439 PolarHBondContact O-N 3.37Å; T436-Q440 VanDerWaalsContact O-CB 3.28Å; T436-Q440 WeakPolarHBondContact O-CB 3.27Å; T436-Q440 PolarHBondContact O-N 2.89Å |
| 437 | H | 89.4 | Confident | 88.2 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 177.6 | -76.6 | -49.1 | 0 | 0 | 0 | 113.5 | G433 Q440 A441 | G433-H437 WeakPolarHBondContact O-CB 3.46Å; G433-H437 PolarHBondContact O-CD2 3.24Å; G433-H437 VanDerWaalsContact O-CD2 3.22Å; G433-H437 PolarHBondContact O-N 3.46Å; H437-Q440 PolarHBondContact ND1-OE1 3.25Å; H437-Q440 PolarHBondContact O-N 2.98Å; H437-A441 WeakPolarHBondContact O-CB 3.47Å; H437-A441 PolarHBondContact O-N 2.98Å |
| 438 | L | 90.3 | Very high | 88.3 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 174.6 | 175.6 | 60 | 0 | 0 | 0 | 111 | W434 L435 Q440 A441 K442 A449 A452 I453 | W434-L438 HydrophobicContact CE3-CD2 4.42Å; W434-L438 HydrophobicContact CZ3-CD2 3.8Å; W434-L438 VanDerWaalsContact O-CB 3.31Å; W434-L438 WeakPolarHBondContact O-CB 3.33Å; W434-L438 PolarHBondContact O-N 3.15Å; L435-L438 PolarHBondContact O-N 2.96Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.45Å; L438-A441 CarbonylContact O-C 3.32Å; L438-A441 PolarHBondContact O-N 2.88Å; L438-K442 HydrophobicContact CD1-CG 4.16Å; L438-K442 WeakPolarHBondContact O-CB 3.11Å; L438-K442 VanDerWaalsContact O-CG 3.29Å; L438-K442 WeakPolarHBondContact O-CG 3.29Å; L438-K442 PolarHBondContact O-N 3.26Å; L438-A449 HydrophobicContact CD2-CB 4.06Å; L438-A449 HydrophobicContact CG-CB 4.02Å; L438-A452 HydrophobicContact CD1-CB 4.27Å; L438-I453 HydrophobicContact CD2-CD1 3.79Å; L438-I453 HydrophobicContact CD2-CG1 3.81Å |
| 439 | L | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177.3 | -77.6 | 170.2 | 0 | 0 | 0 | 112.3 | L416 L420 M423 L435 T436 K442 N443 G444 A449 | L416-L439 HydrophobicContact CD1-CB 3.51Å; L420-L439 VanDerWaalsContact CA-CD1 3.48Å; L420-L439 HydrophobicContact CB-CD1 3.99Å; L420-L439 HydrophobicContact CD1-CD1 4.1Å; M423-L439 HydrophobicContact CG-CD1 4.39Å; M423-L439 HydrophobicContact SD-CD1 3.98Å; M423-L439 HydrophobicContact SD-CD2 3.72Å; M423-L439 HydrophobicContact SD-CG 3.97Å; L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.89Å; T436-L439 PolarHBondContact O-N 3.37Å; L439-K442 CarbonylContact O-C 3.48Å; L439-K442 VanDerWaalsContact O-C 3.32Å; L439-K442 PolarHBondContact O-N 3.2Å; L439-N443 PolarHBondContact O-N 3.27Å; L439-G444 PolarHBondContact O-N 3.1Å; L439-A449 HydrophobicContact CD2-CB 3.97Å |
| 440 | Q | 89.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 172.9 | -170.2 | -179.8 | 25.1 | 0 | 0 | 110.9 | L416 T436 H437 L438 K442 N443 | L416-Q440 HydrophobicContact CD1-CB 4.4Å; L416-Q440 HydrophobicContact CD2-CB 4.42Å; T436-Q440 VanDerWaalsContact O-CB 3.28Å; T436-Q440 WeakPolarHBondContact O-CB 3.27Å; T436-Q440 PolarHBondContact O-N 2.89Å; H437-Q440 PolarHBondContact ND1-OE1 3.25Å; H437-Q440 PolarHBondContact O-N 2.98Å; L438-Q440 VanDerWaalsContact C-N 3.31Å; L438-Q440 PolarHBondContact O-N 3.45Å; Q440-K442 PolarHBondContact O-N 2.92Å; Q440-N443 PolarHBondContact O-N 2.95Å; Q440-N443 VanDerWaalsContact O-N 3.1Å |
| 441 | A | 88.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 70% | 0.702 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.7 | -16.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H437 L438 | H437-A441 WeakPolarHBondContact O-CB 3.47Å; H437-A441 PolarHBondContact O-N 2.98Å; L438-A441 CarbonylContact O-C 3.32Å; L438-A441 PolarHBondContact O-N 2.88Å |
| 442 | K | 91.3 | Very high | 88.9 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.1 | 173.5 | -61.4 | -61.7 | -174.7 | 164.5 | 0 | 113.6 | L438 L439 Q440 G444 D445 A448 A449 | L438-K442 HydrophobicContact CD1-CG 4.16Å; L438-K442 WeakPolarHBondContact O-CB 3.11Å; L438-K442 VanDerWaalsContact O-CG 3.29Å; L438-K442 WeakPolarHBondContact O-CG 3.29Å; L438-K442 PolarHBondContact O-N 3.26Å; L439-K442 CarbonylContact O-C 3.48Å; L439-K442 VanDerWaalsContact O-C 3.32Å; L439-K442 PolarHBondContact O-N 3.2Å; Q440-K442 PolarHBondContact O-N 2.92Å; K442-G444 VanDerWaalsContact C-N 3.28Å; K442-G444 PolarHBondContact O-N 3.38Å; K442-D445 VanDerWaalsContact O-CB 3.27Å; K442-D445 WeakPolarHBondContact O-CB 3.4Å; K442-D445 PolarHBondContact O-N 3.2Å; K442-D445 VanDerWaalsContact O-N 3.1Å; K442-A448 HydrophobicContact CB-CB 4.48Å; K442-A448 HydrophobicContact CD-CB 3.94Å; K442-A448 WeakPolarHBondContact CE-O 3.45Å; K442-A448 HydrophobicContact CG-CB 4.42Å; K442-A448 PolarHBondContact NZ-O 2.96Å; K442-A449 HydrophobicContact CG-CB 4.36Å |
| 443 | N | 87.3 | Confident | 89.1 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.5 | 177.4 | -153.6 | 111.3 | 0 | 0 | 0 | 114 | R415 L439 Q440 | R415-N443 PolarHBondContact NE-O 3.21Å; L439-N443 PolarHBondContact O-N 3.27Å; Q440-N443 PolarHBondContact O-N 2.95Å; Q440-N443 VanDerWaalsContact O-N 3.1Å |
| 444 | G | 85.7 | Confident | 88.8 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 65.6 | 43 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R415 S419 L439 K442 | R415-G444 VanDerWaalsContact CZ-O 3.27Å; R415-G444 PolarHBondContact NE-O 3.15Å; R415-G444 PolarHBondContact NH2-O 3.1Å; S419-G444 WeakPolarHBondContact OG-CA 3.44Å; S419-G444 PolarHBondContact OG-O 3.44Å; L439-G444 PolarHBondContact O-N 3.1Å; K442-G444 VanDerWaalsContact C-N 3.28Å; K442-G444 PolarHBondContact O-N 3.38Å |
| 445 | D | 91.3 | Very high | 87.5 | Confident | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -111.5 | 106.7 | 170.4 | -166.8 | -47.9 | 0 | 0 | 0 | 110 | K442 G447 A448 A449 | K442-D445 VanDerWaalsContact O-CB 3.27Å; K442-D445 WeakPolarHBondContact O-CB 3.4Å; K442-D445 PolarHBondContact O-N 3.2Å; K442-D445 VanDerWaalsContact O-N 3.1Å; D445-G447 VanDerWaalsContact C-N 3.33Å; D445-G447 WeakPolarHBondContact OD1-CA 3.41Å; D445-G447 PolarHBondContact OD1-N 3.37Å; D445-A448 HydrophobicContact CB-CB 4.02Å; D445-A448 PolarHBondContact OD1-N 3.2Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 2.69Å; D445-A449 VanDerWaalsContact O-N 3.11Å | ||
| 446 | I | 90.9 | Very high | 85.9 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | -179.3 | -58.3 | 169 | 0 | 0 | 0 | 110.8 | A422 M423 A449 L450 | A422-I446 HydrophobicContact CB-CD1 3.62Å; M423-I446 HydrophobicContact CG-CG1 4.33Å; M423-I446 HydrophobicContact CG-CG2 3.85Å; M423-I446 HydrophobicContact SD-CG2 4.2Å; I446-A449 PolarHBondContact O-N 3.35Å; I446-L450 HydrophobicContact CG2-CD1 3.81Å; I446-L450 HydrophobicContact CG2-CG 4.21Å; I446-L450 WeakPolarHBondContact O-CB 3.32Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.37Å; I446-L450 PolarHBondContact O-N 3.47Å |
| 447 | G | 89.9 | Confident | 84.1 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.3 | -51.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | D445 A449 L450 D451 | D445-G447 VanDerWaalsContact C-N 3.33Å; D445-G447 WeakPolarHBondContact OD1-CA 3.41Å; D445-G447 PolarHBondContact OD1-N 3.37Å; G447-A449 PolarHBondContact O-N 3.03Å; G447-L450 PolarHBondContact O-N 3.02Å; G447-L450 VanDerWaalsContact O-N 3.15Å; G447-D451 PolarHBondContact O-N 3.2Å |
| 448 | A | 87.8 | Confident | 81.9 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 26% | 0.256 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.9 | -18.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K442 D445 | K442-A448 HydrophobicContact CB-CB 4.48Å; K442-A448 HydrophobicContact CD-CB 3.94Å; K442-A448 WeakPolarHBondContact CE-O 3.45Å; K442-A448 HydrophobicContact CG-CB 4.42Å; K442-A448 PolarHBondContact NZ-O 2.96Å; D445-A448 HydrophobicContact CB-CB 4.02Å; D445-A448 PolarHBondContact OD1-N 3.2Å |
| 449 | A | 91.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -79.8 | -47 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M423 L438 L439 K442 D445 I446 G447 D451 A452 I453 | M423-A449 HydrophobicContact CE-CB 4.38Å; M423-A449 HydrophobicContact SD-CB 3.99Å; L438-A449 HydrophobicContact CD2-CB 4.06Å; L438-A449 HydrophobicContact CG-CB 4.02Å; L439-A449 HydrophobicContact CD2-CB 3.97Å; K442-A449 HydrophobicContact CG-CB 4.36Å; D445-A449 WeakPolarHBondContact O-CB 3.44Å; D445-A449 PolarHBondContact O-N 2.69Å; D445-A449 VanDerWaalsContact O-N 3.11Å; I446-A449 PolarHBondContact O-N 3.35Å; G447-A449 PolarHBondContact O-N 3.03Å; A449-D451 VanDerWaalsContact C-N 3.35Å; A449-D451 PolarHBondContact O-N 3.38Å; A449-A452 WeakPolarHBondContact O-CB 3.26Å; A449-A452 PolarHBondContact O-N 3.11Å; A449-I453 WeakPolarHBondContact O-CG1 3.41Å; A449-I453 PolarHBondContact O-N 2.94Å; A449-I453 VanDerWaalsContact O-N 3.1Å |
| 450 | L | 90.5 | Very high | 77.5 | Confident | 36 Ų | 36 | 86 Ų | 86 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.3 | -72.9 | 170.4 | 0 | 0 | 0 | 112.2 | M423 M426 F428 I446 G447 A452 I453 Q454 | M423-L450 HydrophobicContact CE-CD2 3.78Å; M423-L450 HydrophobicContact CE-CG 4.09Å; M426-L450 HydrophobicContact CE-CD1 4.01Å; M426-L450 HydrophobicContact CE-CD2 4.37Å; F428-L450 HydrophobicContact CE2-CD2 3.73Å; F428-L450 HydrophobicContact CZ-CD2 3.57Å; I446-L450 HydrophobicContact CG2-CD1 3.81Å; I446-L450 HydrophobicContact CG2-CG 4.21Å; I446-L450 WeakPolarHBondContact O-CB 3.32Å; I446-L450 VanDerWaalsContact O-CG 3.26Å; I446-L450 WeakPolarHBondContact O-CG 3.37Å; I446-L450 PolarHBondContact O-N 3.47Å; G447-L450 PolarHBondContact O-N 3.02Å; G447-L450 VanDerWaalsContact O-N 3.15Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 2.91Å; L450-I453 PolarHBondContact O-N 3.37Å; L450-Q454 WeakPolarHBondContact O-CB 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.42Å; L450-Q454 PolarHBondContact O-N 3.46Å |
| 451 | D | 88.4 | Confident | 75.6 | Confident | 104 Ų | 104 | 87.1 Ų | 87.1 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.2 | -40.2 | 175.4 | -74.1 | -18.8 | 0 | 0 | 0 | 111.7 | G447 A449 Q454 Y455 | G447-D451 PolarHBondContact O-N 3.2Å; A449-D451 VanDerWaalsContact C-N 3.35Å; A449-D451 PolarHBondContact O-N 3.38Å; D451-Q454 PolarHBondContact O-N 2.88Å; D451-Y455 WeakPolarHBondContact O-CB 3.27Å; D451-Y455 PolarHBondContact O-N 2.84Å |
| 452 | A | 85.9 | Confident | 73.5 | Confident | 40 Ų | 40 | 92.4 Ų | 92.4 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L438 A449 L450 A456 | L438-A452 HydrophobicContact CD1-CB 4.27Å; A449-A452 WeakPolarHBondContact O-CB 3.26Å; A449-A452 PolarHBondContact O-N 3.11Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 2.91Å; A452-A456 PolarHBondContact O-N 3.1Å |
| 453 | I | 86.6 | Confident | 71.3 | Confident | 45 Ų | 45 | 101.5 Ų | 101.5 | 23% | 0.231 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.4 | -42 | 175.3 | -64.8 | 162.9 | 0 | 0 | 0 | 110.9 | M423 F428 W434 L438 A449 L450 A456 | M423-I453 HydrophobicContact CE-CD1 3.92Å; F428-I453 HydrophobicContact CD1-CD1 4.29Å; F428-I453 HydrophobicContact CE1-CD1 3.86Å; F428-I453 HydrophobicContact CE1-CG2 4.34Å; F428-I453 HydrophobicContact CZ-CD1 4.48Å; W434-I453 HydrophobicContact CH2-CD1 3.88Å; W434-I453 HydrophobicContact CH2-CG1 4.36Å; W434-I453 HydrophobicContact CZ3-CD1 4.08Å; W434-I453 HydrophobicContact CZ3-CG1 4.23Å; L438-I453 HydrophobicContact CD2-CD1 3.79Å; L438-I453 HydrophobicContact CD2-CG1 3.81Å; A449-I453 WeakPolarHBondContact O-CG1 3.41Å; A449-I453 PolarHBondContact O-N 2.94Å; A449-I453 VanDerWaalsContact O-N 3.1Å; L450-I453 PolarHBondContact O-N 3.37Å; I453-A456 PolarHBondContact O-N 2.94Å |
| 454 | Q | 78.9 | Confident | 70.5 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.3 | -38.3 | 179.1 | -73.1 | -178.2 | 63.5 | 0 | 0 | 112.6 | L450 D451 A456 K457 | L450-Q454 WeakPolarHBondContact O-CB 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.42Å; L450-Q454 PolarHBondContact O-N 3.46Å; D451-Q454 PolarHBondContact O-N 2.88Å; Q454-A456 PolarHBondContact O-N 3.1Å; Q454-K457 PolarHBondContact O-N 3.24Å |
| 455 | Y | 62.4 | Low | 69.7 | Low | 158 Ų | 158 | 106.1 Ų | 106.1 | 62% | 0.62 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.9 | -32.1 | 176.9 | -167.3 | -99.4 | 0 | 0 | 0 | 112.4 | D451 K457 Q458 | D451-Y455 WeakPolarHBondContact O-CB 3.27Å; D451-Y455 PolarHBondContact O-N 2.84Å; Y455-K457 PolarHBondContact O-N 2.9Å; Y455-Q458 PolarHBondContact O-N 2.82Å |
| 456 | A | 57.7 | Low | 68.5 | Low | 88 Ų | 88 | 108.2 Ų | 108.2 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -16.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A452 I453 Q454 | A452-A456 PolarHBondContact O-N 3.1Å; I453-A456 PolarHBondContact O-N 2.94Å; Q454-A456 PolarHBondContact O-N 3.1Å |
| 457 | K | 51.1 | Low | 67.2 | Low | 190 Ų | 190 | 111.6 Ų | 111.6 | 83% | 0.826 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -12.7 | 176.2 | -93.1 | -174.4 | 174.5 | -179.9 | 0 | 114.5 | Q454 Y455 | Q454-K457 PolarHBondContact O-N 3.24Å; Y455-K457 PolarHBondContact O-N 2.9Å |
| 458 | Q | 44.3 | Very low | 65.8 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 65% | 0.645 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -83.8 | 128.4 | 177.7 | -67.2 | -166.5 | 1.1 | 0 | 0 | 110.9 | Y455 R460 | Y455-Q458 PolarHBondContact O-N 2.82Å; Q458-R460 PolarHBondContact O-N 3.33Å |
| 459 | P | 44.3 | Very low | 64.3 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.9 | 169.8 | 27.9 | -32.6 | 0 | 0 | 0 | 108.5 | ||
| 460 | R | 45 | Very low | 62.4 | Low | 202 Ų | 202 | 130.8 Ų | 130.8 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 132.7 | 175.7 | -63.9 | -174.6 | -174.1 | -178.5 | 2.8 | 108.9 | Q458 H462 | Q458-R460 PolarHBondContact O-N 3.33Å; R460-H462 PolarHBondContact O-N 3.41Å |
| 461 | P | 48.7 | Very low | 60.2 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 136.5 | 175.3 | 26.3 | -33.9 | 0 | 0 | 0 | 109.6 | Q463 | P461-Q463 PolarHBondContact O-N 3.24Š|
| 462 | H | 45.5 | Very low | 57.9 | Low | 197 Ų | 197 | 140.9 Ų | 140.9 | 91% | 0.912 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.1 | 174.6 | -62.8 | -69.3 | 0 | 0 | 0 | 110.1 | R460 | R460-H462 PolarHBondContact O-N 3.41Š|
| 463 | Q | 44.4 | Very low | 55.3 | Low | 270 Ų | 270 | 150.1 Ų | 150.1 | 100% | 1.262 | 74% | 0.738 | S | S | * | * | trans | -111.4 | 0 | 165.1 | -95.7 | -173.8 | -16.5 | 0 | 0 | 109.1 | P461 | P461-Q463 PolarHBondContact O-N 3.24Š|
Retrieved 463 of 463 residues in 80.2 ms
(Link to these results)