| 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 | 38.8 | Very low | 38.5 | Very low | 242 Ų | 242 | 173.3 Ų | 173.3 | 100% | 1.192 | 84% | 0.842 | S | S | * | * | 0 | 128.1 | 0 | -66.8 | 172.7 | 172.1 | 0 | 0 | 108.5 | |||||
| 2 | P | 43.4 | Very low | 38.1 | Very low | 127 Ų | 127 | 168.9 Ų | 168.9 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -88.3 | 130.4 | -171 | 32.4 | -33 | 0 | 0 | 0 | 114.3 | ||||
| 3 | R | 34.8 | Very low | 38 | Very low | 219 Ų | 219 | 162.8 Ų | 162.8 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | 32.4 | 113.9 | 147.3 | -68.8 | -178 | 163.3 | 92.9 | 2.5 | 119 | F5 | R3-F5 PolarHBondContact O-N 3.37Š| ||
| 4 | S | 34.5 | Very low | 38 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -63.1 | 123 | 159 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | L6 | S4-L6 PolarHBondContact O-N 3.31Š| ||
| 5 | F | 35.7 | Very low | 38 | Very low | 182 Ų | 182 | 162.7 Ų | 162.7 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | -86.2 | 106.7 | 171.6 | -75.7 | -89.2 | 0 | 0 | 0 | 110.3 | R3 V7 | R3-F5 PolarHBondContact O-N 3.37Å; F5-V7 VanDerWaalsContact C-N 3.29Å; F5-V7 PolarHBondContact O-N 3.3Å | ||
| 6 | L | 47.4 | Very low | 37.5 | Very low | 156 Ų | 156 | 162 Ų | 162 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | -68.7 | 87.7 | 166.1 | -75.6 | 171 | 0 | 0 | 0 | 109.6 | S4 K8 | S4-L6 PolarHBondContact O-N 3.31Å; L6-K8 PolarHBondContact O-N 3.46Å | ||
| 7 | V | 40.7 | Very low | 37.2 | Very low | 120 Ų | 120 | 162.4 Ų | 162.4 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -59.8 | 104 | 169.3 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | F5 N9 | F5-V7 VanDerWaalsContact C-N 3.29Å; F5-V7 PolarHBondContact O-N 3.3Å; V7-N9 PolarHBondContact O-N 3.19Å | ||
| 8 | K | 35.9 | Very low | 36.9 | Very low | 166 Ų | 166 | 162.4 Ų | 162.4 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | -62.3 | 118.6 | 172.3 | -108.3 | 88.5 | 173.1 | -173.3 | 0 | 107.7 | L6 K10 | L6-K8 PolarHBondContact O-N 3.46Å; K8-K10 HydrophobicContact CB-CG 4.36Å; K8-K10 PolarHBondContact O-N 3.4Å | ||
| 9 | N | 37.9 | Very low | 36.9 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -66 | 77.5 | 167.2 | -77 | -5.8 | 0 | 0 | 0 | 110.1 | V7 R11 | V7-N9 PolarHBondContact O-N 3.19Å; N9-R11 PolarHBondContact O-N 3.39Å | ||
| 10 | K | 38.3 | Very low | 36.3 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -70.8 | 85.2 | 171.5 | -75.2 | -169 | 176 | -176.1 | 0 | 108.8 | K8 C12 | K8-K10 HydrophobicContact CB-CG 4.36Å; K8-K10 PolarHBondContact O-N 3.4Å; K10-C12 PolarHBondContact O-N 3.21Å; K10-C12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | R | 36.3 | Very low | 36.3 | Very low | 234 Ų | 234 | 159.9 Ų | 159.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -34.7 | 113.2 | 161.5 | 177.3 | -171 | -66.8 | 170.7 | -2.7 | 109 | N9 A13 | N9-R11 PolarHBondContact O-N 3.39Å; R11-A13 PolarHBondContact O-N 3.47Å | ||
| 12 | C | 33.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 98.7 | 178 | -75.1 | 0 | 0 | 0 | 0 | 109.3 | K10 S14 | K10-C12 PolarHBondContact O-N 3.21Å; K10-C12 VanDerWaalsContact O-N 3.08Å; C12-S14 PolarHBondContact O-N 3.45Å | ||
| 13 | A | 36.7 | Very low | 35.8 | Very low | 89 Ų | 89 | 158.8 Ų | 158.8 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -69.8 | 94.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | R11 Y15 | R11-A13 PolarHBondContact O-N 3.47Å; A13-Y15 PolarHBondContact O-N 3.17Å | ||
| 14 | S | 37.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 58.9 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | C12 | C12-S14 PolarHBondContact O-N 3.45Š| ||
| 15 | Y | 38.2 | Very low | 35.8 | Very low | 207 Ų | 207 | 160.1 Ų | 160.1 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -148.6 | 98.5 | 172.8 | -137.8 | -85.9 | 0 | 0 | 0 | 111 | A13 | A13-Y15 PolarHBondContact O-N 3.17Š| ||
| 16 | N | 30.4 | Very low | 35.7 | Very low | 151 Ų | 151 | 157.4 Ų | 157.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -176.8 | 98.7 | 148.5 | -97.8 | -19.1 | 0 | 0 | 0 | 108.8 | ||||
| 17 | I | 32.8 | Very low | 34.9 | Very low | 168 Ų | 168 | 154 Ų | 154 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -127 | 83.3 | 156.2 | -57.7 | 179.8 | 0 | 0 | 0 | 105.2 | ||||
| 18 | H | 31.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 157.2 Ų | 157.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -91.5 | 137.5 | 167.7 | -151.1 | -102.4 | 0 | 0 | 0 | 109.2 | ||||
| 19 | R | 36.2 | Very low | 34.2 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 57% | 0.574 | 78% | 0.784 | S | S | * | * | trans | -25.5 | 133.7 | -178.8 | -57.1 | 178.4 | 160.6 | -170.4 | -11.5 | 116.3 | Y21 | R19-Y21 HydrophobicContact CB-CD2 3.8Å; R19-Y21 HydrophobicContact CB-CE2 4.27Å; R19-Y21 HydrophobicContact CG-CD2 3.58Å; R19-Y21 HydrophobicContact CG-CE2 3.56Å; R19-Y21 HydrophobicContact CG-CG 4.43Å; R19-Y21 VanDerWaalsContact CZ-CE1 3.44Å; R19-Y21 VanDerWaalsContact CZ-CZ 3.48Å; R19-Y21 VanDerWaalsContact NE-CZ 3.31Å; R19-Y21 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y21 PolarHBondContact NH2-OH 2.94Å | ||
| 20 | T | 25.6 | Very low | 34 | Very low | 134 Ų | 134 | 154.3 Ų | 154.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | -95.8 | 132.1 | 113.7 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 21 | Y | 35 | Very low | 33.6 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | trans | -114.4 | 110.9 | 162.9 | -90.2 | -148.7 | 0 | 0 | 0 | 104.5 | R19 E23 | R19-Y21 HydrophobicContact CB-CD2 3.8Å; R19-Y21 HydrophobicContact CB-CE2 4.27Å; R19-Y21 HydrophobicContact CG-CD2 3.58Å; R19-Y21 HydrophobicContact CG-CE2 3.56Å; R19-Y21 HydrophobicContact CG-CG 4.43Å; R19-Y21 VanDerWaalsContact CZ-CE1 3.44Å; R19-Y21 VanDerWaalsContact CZ-CZ 3.48Å; R19-Y21 VanDerWaalsContact NE-CZ 3.31Å; R19-Y21 VanDerWaalsContact NH2-CZ 3.3Å; R19-Y21 PolarHBondContact NH2-OH 2.94Å; Y21-E23 PolarHBondContact O-N 3.18Å | ||
| 22 | E | 36.8 | Very low | 33.5 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -81.3 | 98.7 | 161.1 | -75.5 | 171.7 | 128.3 | 0 | 0 | 106.2 | E24 | E22-E24 VanDerWaalsContact C-N 3.35Å; E22-E24 PolarHBondContact O-N 2.85Å | ||
| 23 | E | 35.2 | Very low | 33.4 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -91.8 | 75.4 | 175.4 | -166.5 | 161.2 | 113.8 | 0 | 0 | 107.4 | Y21 Q25 | Y21-E23 PolarHBondContact O-N 3.18Å; E23-Q25 PolarHBondContact O-N 2.92Å | ||
| 24 | E | 38.5 | Very low | 33.2 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.3 | 175.8 | -68.5 | -167 | 111.6 | 0 | 0 | 109.9 | E22 | E22-E24 VanDerWaalsContact C-N 3.35Å; E22-E24 PolarHBondContact O-N 2.85Å |
| 25 | Q | 31.8 | Very low | 33.8 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143 | -171.9 | -63.5 | 173.6 | -40.1 | 0 | 0 | 111.5 | E23 | E23-Q25 PolarHBondContact O-N 2.92Š|
| 26 | P | 33 | Very low | 33.6 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.2 | 155.5 | -11.3 | 27.7 | 0 | 0 | 0 | 109.5 | ||
| 27 | A | 31.6 | Very low | 33.8 | Very low | 85 Ų | 85 | 148.1 Ų | 148.1 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 144.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 28 | E | 32.6 | Very low | 33.9 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | 31.7 | 130.6 | 139.9 | -56.1 | 177.2 | 128.8 | 0 | 0 | 118.6 | ||||
| 29 | S | 28 | Very low | 34 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | -169.6 | 158.9 | 65.1 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 30 | E | 34.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 63.4 | 145.7 | 154.1 | -66.5 | 155 | 143.2 | 0 | 0 | 117.8 | ||||
| 31 | D | 29.6 | Very low | 33.8 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | cis | -148.4 | -175.1 | 9.7 | -142.8 | -26 | 0 | 0 | 0 | 113.4 | ||||
| 32 | Q | 34.5 | Very low | 33.5 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 145.6 | -168.5 | -59.4 | 142.7 | 59.4 | 0 | 0 | 117.4 | ||||
| 33 | E | 31.5 | Very low | 33.2 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | -165.9 | 156.9 | 112.8 | -131.7 | -174.9 | 77.5 | 0 | 0 | 113.8 | |||||
| 34 | V | 31.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -161 | 147.4 | -169.4 | 157.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 35 | P | 51 | Low | 32.9 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -140.5 | -164.2 | 25.9 | 28.9 | -2.7 | 0 | 0 | 0 | 116.4 | ||||
| 36 | S | 33.4 | Very low | 33.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 98.5 | 143.2 | 146.8 | -53.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 37 | Q | 35 | Very low | 34.2 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -166.9 | 146.4 | -8.2 | -110.1 | -70.2 | 33.8 | 0 | 0 | 110 | ||||
| 38 | L | 35.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 62.4 | 161.3 | 160.6 | -54.6 | 179.3 | 0 | 0 | 0 | 117.9 | ||||
| 39 | Q | 32.7 | Very low | 34.2 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | cis | -161.1 | 145.5 | -0.2 | -133.2 | 162 | -5.6 | 0 | 0 | 112.7 | ||||
| 40 | S | 28.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 57.8 | 164.4 | 154.3 | -50.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 41 | T | 29.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -131.6 | 137.8 | 3.2 | 44.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 42 | D | 28 | Very low | 35.5 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | 82.8 | 143.2 | 63.4 | -171.3 | -105 | 0 | 0 | 0 | 116 | |||||
| 43 | S | 31.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 129 Ų | 129 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 123.5 | 176.3 | -67.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 44 | S | 31.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | cis | 86.1 | 139.9 | 48 | -62 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 45 | E | 34.7 | Very low | 35.8 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | cis | -139 | 165.6 | 15.6 | -65.3 | 177.5 | 102.1 | 0 | 0 | 113.9 | ||||
| 46 | E | 37.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -94.7 | -154.5 | 164.2 | -95.9 | -97.5 | 128.3 | 0 | 0 | 108.7 | ||||
| 47 | P | 55.1 | Low | 35.4 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 58% | 0.578 | 75% | 0.752 | S | S | * | * | cis | -135.6 | -167.4 | -17.1 | 16.9 | 11.4 | 0 | 0 | 0 | 114.5 | ||||
| 48 | L | 32.1 | Very low | 35.5 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | 73.2 | 149.7 | 155 | -65.4 | 138 | 0 | 0 | 0 | 118.2 | ||||
| 49 | S | 32.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | cis | -172.1 | 179.2 | -15.2 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 50 | E | 32.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | cis | -135.5 | -173.6 | 4.1 | -76.6 | -167.4 | 74.3 | 0 | 0 | 110.7 | ||||
| 51 | G | 34.3 | Very low | 36.4 | Very low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -98.1 | -137.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 52 | P | 52.1 | Low | 37.2 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | cis | -110.2 | -140.7 | -12.6 | 20.8 | 4.2 | 0 | 0 | 0 | 109.1 | ||||
| 53 | S | 33 | Very low | 37.7 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | cis | -163.5 | 152.5 | 6 | -20.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | L | 35.2 | Very low | 38.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | 66.1 | 150.2 | 155.4 | -58.6 | 172.1 | 0 | 0 | 0 | 117.7 | ||||
| 55 | S | 35.3 | Very low | 38.9 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | -143.2 | 158.9 | 0.6 | 46.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 56 | A | 40.6 | Very low | 39.6 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -101.9 | 147.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 57 | D | 36.6 | Very low | 40 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -155.7 | 146.9 | 149.5 | -134.8 | -47.8 | 0 | 0 | 0 | 113.7 | ||||
| 58 | R | 35.8 | Very low | 39.5 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 28.1 | 129 | 168.6 | -75.6 | 152.6 | 90.4 | -157.7 | 3.4 | 123 | ||||
| 59 | C | 33.8 | Very low | 39.7 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -109.1 | 129.7 | 153.3 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | S | 34.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -165.6 | 126.6 | 166.2 | -74.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 61 | P | 47.4 | Very low | 41.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -108.9 | -171 | 168.3 | 41.9 | -33.7 | 0 | 0 | 0 | 111.1 | ||||
| 62 | P | 47 | Very low | 41.6 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -111.8 | 174.9 | -38.6 | 37.1 | -25.7 | 0 | 0 | 0 | 110.8 | ||||
| 63 | E | 39.4 | Very low | 41.3 | Very low | 200 Ų | 200 | 134 Ų | 134 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -120.6 | 149.2 | 160.4 | -66.7 | -145.1 | 112.2 | 0 | 0 | 111.2 | ||||
| 64 | D | 43.4 | Very low | 41.9 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 121 | -165.4 | -168.2 | -64.4 | 0 | 0 | 0 | 111.4 | ||||
| 65 | S | 44.1 | Very low | 42.4 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -164.2 | 102.2 | 165.1 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | P67 | S65-P67 VanDerWaalsContact O-CD 3.31Å; S65-P67 WeakPolarHBondContact O-CD 3.31Å | ||
| 66 | E | 48.9 | Very low | 43.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 123.1 | 165 | -77.9 | -169.7 | 72.2 | 0 | 0 | 111.2 | Q68 | E66-Q68 PolarHBondContact O-N 3.47Å; E66-Q68 VanDerWaalsContact O-N 3.17Å | ||
| 67 | P | 46.7 | Very low | 43.4 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -81 | 87 | 159.1 | 32.9 | -30.3 | 0 | 0 | 0 | 108.6 | S65 C69 | S65-P67 VanDerWaalsContact O-CD 3.31Å; S65-P67 WeakPolarHBondContact O-CD 3.31Å; P67-C69 PolarHBondContact O-N 3.45Å | ||
| 68 | Q | 43.2 | Very low | 43.9 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -64.9 | 100.3 | -176.5 | -139.4 | 175.9 | 3.6 | 0 | 0 | 111 | E66 P70 | E66-Q68 PolarHBondContact O-N 3.47Å; E66-Q68 VanDerWaalsContact O-N 3.17Å; Q68-P70 WeakPolarHBondContact O-CD 3.46Å | ||
| 69 | C | 37.1 | Very low | 44.7 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.5 | -179.6 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | P67 L71 | P67-C69 PolarHBondContact O-N 3.45Å; C69-L71 PolarHBondContact O-N 2.89Å |
| 70 | P | 49.3 | Very low | 45.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.2 | 170.1 | -23 | 34.1 | 0 | 0 | 0 | 110.5 | Q68 | Q68-P70 WeakPolarHBondContact O-CD 3.46Š|
| 71 | L | 47.9 | Very low | 45.7 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.5 | 175.7 | -75.4 | 168.3 | 0 | 0 | 0 | 110 | C69 A73 | C69-L71 PolarHBondContact O-N 2.89Å; L71-A73 PolarHBondContact O-N 3Å; L71-A73 VanDerWaalsContact O-N 3.14Å |
| 72 | P | 42.3 | Very low | 45.7 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 117.9 | 170.6 | -21.7 | 33.2 | 0 | 0 | 0 | 109.9 | H74 | P72-H74 PolarHBondContact O-N 2.83Å; P72-H74 VanDerWaalsContact O-N 3.14Å |
| 73 | A | 45.5 | Very low | 45.7 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 115.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | L71 P75 | L71-A73 PolarHBondContact O-N 3Å; L71-A73 VanDerWaalsContact O-N 3.14Å; A73-P75 WeakPolarHBondContact O-CD 3.33Å | ||
| 74 | H | 45.2 | Very low | 45.8 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.3 | 170.5 | -98.7 | -94.7 | 0 | 0 | 0 | 109.1 | P72 E76 | P72-H74 PolarHBondContact O-N 2.83Å; P72-H74 VanDerWaalsContact O-N 3.14Å; H74-E76 PolarHBondContact O-N 2.91Å |
| 75 | P | 46.7 | Very low | 46.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.5 | 168.4 | 28.1 | -32.5 | 0 | 0 | 0 | 109 | A73 | A73-P75 WeakPolarHBondContact O-CD 3.33Š|
| 76 | E | 54.1 | Low | 45.9 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 135.8 | 177.5 | -163.9 | 178 | 132.8 | 0 | 0 | 110.2 | H74 A78 | H74-E76 PolarHBondContact O-N 2.91Å; E76-A78 PolarHBondContact O-N 3.27Å |
| 77 | P | 42.6 | Very low | 46.3 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 90.8 | -176 | 29.1 | -35 | 0 | 0 | 0 | 111.1 | S79 | P77-S79 PolarHBondContact O-N 3.38Å; P77-S79 VanDerWaalsContact O-N 3.09Å | ||
| 78 | A | 46.6 | Very low | 45.8 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -54.3 | 114.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E76 | E76-A78 PolarHBondContact O-N 3.27Š| ||
| 79 | S | 52 | Low | 46 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.3 | 176.2 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | P77 | P77-S79 PolarHBondContact O-N 3.38Å; P77-S79 VanDerWaalsContact O-N 3.09Å |
| 80 | P | 46.5 | Very low | 46.3 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 140.4 | 179.9 | 27.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 81 | P | 45 | Very low | 46.2 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 140.6 | 178.3 | 28.3 | -34.5 | 0 | 0 | 0 | 111.1 | A83 | P81-A83 PolarHBondContact O-N 3.44Š|
| 82 | L | 46.2 | Very low | 46.1 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 129 | 174.4 | -74.2 | 75.9 | 0 | 0 | 0 | 109.7 | ||
| 83 | A | 46.3 | Very low | 46.7 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P81 | P81-A83 PolarHBondContact O-N 3.44Š|
| 84 | P | 41.9 | Very low | 46.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 131.6 | 177 | 29.8 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 85 | S | 52.8 | Low | 46.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 126.6 | 174.2 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||
| 86 | Q | 37.8 | Very low | 46.5 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -147.7 | 141.4 | 155.7 | -81.9 | -54.3 | -75.7 | 0 | 0 | 110.6 | ||||
| 87 | P | 55.9 | Low | 46 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | trans | -102.4 | 154.2 | 173.6 | 38.1 | -32 | 0 | 0 | 0 | 112.6 | ||||
| 88 | Y | 37.4 | Very low | 46.1 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | -168.2 | 161.9 | 123.3 | 70.1 | -78.8 | 0 | 0 | 0 | 111.3 | |||||
| 89 | Y | 46.1 | Very low | 46.1 | Very low | 215 Ų | 215 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -94.1 | 142.7 | 172.7 | -86.2 | -109.6 | 0 | 0 | 0 | 110.5 | ||||
| 90 | L | 45.2 | Very low | 46 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | -157.9 | 156.8 | 114.4 | -135.6 | 62.7 | 0 | 0 | 0 | 113.2 | |||||
| 91 | T | 46.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 156.9 | -174.5 | -14 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 92 | E | 45.9 | Very low | 46.5 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | -161.4 | 160.4 | 105 | -94.5 | -54.1 | 86.6 | 0 | 0 | 110.8 | |||||
| 93 | P | 53.5 | Low | 46.9 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 57% | 0.565 | 78% | 0.777 | S | S | * | * | trans | -98.8 | 146.3 | -165 | 36.8 | -34.3 | 0 | 0 | 0 | 114.6 | ||||
| 94 | H | 44.8 | Very low | 46.5 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -143.2 | 80.1 | 153.3 | -159.2 | -79.9 | 0 | 0 | 0 | 111 | A96 | H94-A96 PolarHBondContact O-N 2.27Š| ||
| 95 | M | 41.8 | Very low | 46.8 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 77.6 | 174.2 | -72.5 | -71 | 144.3 | 0 | 0 | 110.2 | ||||
| 96 | A | 46.3 | Very low | 46.8 | Very low | 59 Ų | 59 | 156.9 Ų | 156.9 | 49% | 0.488 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 133.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H94 F98 | H94-A96 PolarHBondContact O-N 2.27Å; A96-F98 PolarHBondContact O-N 2.67Å |
| 97 | E | 44.4 | Very low | 47.1 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 118.3 | -173.3 | -69.8 | 134.9 | 99.4 | 0 | 0 | 113.1 | ||
| 98 | F | 44.8 | Very low | 46.4 | Very low | 190 Ų | 190 | 157.4 Ų | 157.4 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 122 | 156 | -77.9 | -87.7 | 0 | 0 | 0 | 108.8 | A96 | A96-F98 PolarHBondContact O-N 2.67Š|
| 99 | P | 47.5 | Very low | 46.7 | Very low | 106 Ų | 106 | 154 Ų | 154 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 135.1 | 179.7 | -26.5 | 35.1 | 0 | 0 | 0 | 112.2 | Y101 | P99-Y101 PolarHBondContact O-N 3.29Š|
| 100 | P | 48.7 | Very low | 46.5 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | trans | -79.6 | 64.3 | -176.6 | 33.7 | -37.2 | 0 | 0 | 0 | 111.6 | ||||
| 101 | Y | 56.1 | Low | 46.3 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -107.5 | 129.8 | 178.9 | -158.4 | -97.7 | 0 | 0 | 0 | 112.7 | P99 | P99-Y101 PolarHBondContact O-N 3.29Š| ||
| 102 | Y | 47.1 | Very low | 46.4 | Very low | 186 Ų | 186 | 148 Ų | 148 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 79.7 | 72.3 | 177.6 | -139.2 | -92 | 0 | 0 | 0 | 117.9 | P104 | Y102-P104 HydrophobicContact CD1-CG 4.18Å; Y102-P104 HydrophobicContact CE1-CG 4.04Å | ||
| 103 | K | 52.8 | Low | 46 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -96.1 | 114.6 | 159.7 | -168.1 | 175.8 | -174.4 | 179.3 | 0 | 108.8 | S105 | K103-S105 PolarHBondContact O-N 2.79Å; K103-S105 VanDerWaalsContact O-N 3.13Å | ||
| 104 | P | 38 | Very low | 45.7 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | trans | -68.5 | 109.5 | -178.6 | -21.3 | 33.5 | 0 | 0 | 0 | 112 | Y102 Y106 | Y102-P104 HydrophobicContact CD1-CG 4.18Å; Y102-P104 HydrophobicContact CE1-CG 4.04Å; P104-Y106 PolarHBondContact O-N 3.28Å | ||
| 105 | S | 48.6 | Very low | 45.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 69.9 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 112 | K103 | K103-S105 PolarHBondContact O-N 2.79Å; K103-S105 VanDerWaalsContact O-N 3.13Å | ||
| 106 | Y | 53.7 | Low | 45.8 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -125.6 | 37.4 | 164.4 | -117.4 | -88 | 0 | 0 | 0 | 112 | P104 W108 | P104-Y106 PolarHBondContact O-N 3.28Å; Y106-W108 PolarHBondContact O-N 3.13Å | ||
| 107 | A | 43.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | trans | -64.9 | 114.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | E109 | A107-E109 PolarHBondContact O-N 2.86Š| ||
| 108 | W | 41.9 | Very low | 46.4 | Very low | 224 Ų | 224 | 152.3 Ų | 152.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -78.7 | 62.5 | 174.3 | 42.6 | -86.4 | 0 | 0 | 0 | 109.7 | Y106 P110 | Y106-W108 PolarHBondContact O-N 3.13Å; W108-P110 WeakPolarHBondContact O-CD 3.44Å; W108-P110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | E | 43.3 | Very low | 46.9 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -52.2 | 120.2 | 164.5 | -68.1 | -64.9 | 119.7 | 0 | 0 | 107.8 | A107 V111 | A107-E109 PolarHBondContact O-N 2.86Å; E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.26Å | ||
| 110 | P | 42 | Very low | 47.4 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -73 | 86.8 | -178.7 | 29.1 | -33.6 | 0 | 0 | 0 | 109 | W108 S112 | W108-P110 WeakPolarHBondContact O-CD 3.44Å; W108-P110 VanDerWaalsContact O-N 3.15Å; P110-S112 PolarHBondContact O-N 3.15Å | ||
| 111 | V | 41.9 | Very low | 47.6 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -59 | 110.4 | 174.6 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | E109 S113 | E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.26Å; V111-S113 PolarHBondContact O-N 3.47Å | ||
| 112 | S | 47.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -62.6 | 83.7 | 169.4 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | P110 S114 | P110-S112 PolarHBondContact O-N 3.15Å; S112-S114 PolarHBondContact O-N 3.08Å; S112-S114 VanDerWaalsContact O-N 3.09Å | ||
| 113 | S | 39.2 | Very low | 48 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | -60.4 | 112.8 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | V111 Y115 | V111-S113 PolarHBondContact O-N 3.47Å; S113-Y115 PolarHBondContact O-N 3.33Å | ||
| 114 | S | 45.3 | Very low | 48.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -72.5 | 8.8 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | S112 E116 | S112-S114 PolarHBondContact O-N 3.08Å; S112-S114 VanDerWaalsContact O-N 3.09Å; S114-E116 PolarHBondContact O-N 3.28Å | ||
| 115 | Y | 46 | Very low | 49.5 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -71.9 | 95.4 | 160.8 | -96 | -92.2 | 0 | 0 | 0 | 109.8 | S113 L117 | S113-Y115 PolarHBondContact O-N 3.33Å; Y115-L117 PolarHBondContact O-N 3.11Å | ||
| 116 | E | 43.3 | Very low | 50 | Low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -50.9 | 86 | 154.9 | -93.5 | -75.3 | 127.9 | 0 | 0 | 109.7 | S114 R118 | S114-E116 PolarHBondContact O-N 3.28Å; E116-R118 PolarHBondContact O-N 3.28Å | ||
| 117 | L | 49.5 | Very low | 50.2 | Low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -63 | 93.4 | 162.2 | -86.7 | 171.1 | 0 | 0 | 0 | 106.6 | Y115 Q119 | Y115-L117 PolarHBondContact O-N 3.11Å; L117-Q119 PolarHBondContact O-N 3.34Å | ||
| 118 | R | 53.3 | Low | 50.9 | Low | 219 Ų | 219 | 132.8 Ų | 132.8 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -45.6 | 109.8 | 170.4 | -72.3 | -172.1 | -177.7 | -168.7 | 1.7 | 107.8 | E116 L120 | E116-R118 PolarHBondContact O-N 3.28Å; R118-L120 PolarHBondContact O-N 3.3Å | ||
| 119 | Q | 55.4 | Low | 51.3 | Low | 186 Ų | 186 | 127.6 Ų | 127.6 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 86.5 | 178.4 | -64.1 | -173.4 | 13.4 | 0 | 0 | 107.6 | L117 S121 | L117-Q119 PolarHBondContact O-N 3.34Å; Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.86Å | ||
| 120 | L | 58.3 | Low | 51.6 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | trans | -61 | 100.8 | 165.6 | -70.3 | 175.5 | 0 | 0 | 0 | 106 | R118 F122 | R118-L120 PolarHBondContact O-N 3.3Å; L120-F122 HydrophobicContact CB-CD2 3.94Å; L120-F122 HydrophobicContact CB-CE2 3.5Å; L120-F122 HydrophobicContact CB-CZ 3.89Å; L120-F122 HydrophobicContact CD1-CE2 4Å; L120-F122 HydrophobicContact CD1-CZ 3.89Å; L120-F122 HydrophobicContact CG-CE2 4.41Å; L120-F122 VanDerWaalsContact O-CD2 3.25Å; L120-F122 WeakPolarHBondContact O-CD2 3.12Å; L120-F122 PolarHBondContact O-N 3.24Å | ||
| 121 | S | 53.8 | Low | 52.3 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | trans | -73.2 | 62.3 | -176.9 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | Q119 S123 | Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.86Å; S121-S123 PolarHBondContact O-N 3.42Å | ||
| 122 | F | 57.8 | Low | 53 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | trans | -56 | 113.5 | 168.1 | -65.4 | -64 | 0 | 0 | 0 | 108.1 | L120 V126 L127 | L120-F122 HydrophobicContact CB-CD2 3.94Å; L120-F122 HydrophobicContact CB-CE2 3.5Å; L120-F122 HydrophobicContact CB-CZ 3.89Å; L120-F122 HydrophobicContact CD1-CE2 4Å; L120-F122 HydrophobicContact CD1-CZ 3.89Å; L120-F122 HydrophobicContact CG-CE2 4.41Å; L120-F122 VanDerWaalsContact O-CD2 3.25Å; L120-F122 WeakPolarHBondContact O-CD2 3.12Å; L120-F122 PolarHBondContact O-N 3.24Å; F122-V126 HydrophobicContact CB-CB 4.26Å; F122-V126 HydrophobicContact CB-CG1 4.33Å; F122-V126 HydrophobicContact CD1-CG1 3.87Å; F122-V126 HydrophobicContact CG-CG1 4.41Å; F122-L127 HydrophobicContact CB-CG 4.3Å | ||
| 123 | S | 53.7 | Low | 53.3 | Low | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | trans | -46.6 | 142.7 | 170.8 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | S121 T125 V126 L127 | S121-S123 PolarHBondContact O-N 3.42Å; S123-T125 PolarHBondContact O-N 3.22Å; S123-T125 PolarHBondContact OG-OG1 3.42Å; S123-V126 WeakPolarHBondContact O-CA 3.3Å; S123-V126 WeakPolarHBondContact O-CB 3.41Å; S123-V126 PolarHBondContact O-N 3.22Å; S123-L127 PolarHBondContact O-N 3.16Å | ||
| 124 | P | 60.9 | Low | 53.9 | Low | 97 Ų | 97 | 124.5 Ų | 124.5 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -51 | -32.4 | -179.6 | 18.4 | -32.2 | 0 | 0 | 0 | 112.7 | V126 L127 Q128 | P124-V126 VanDerWaalsContact C-N 3.29Å; P124-V126 PolarHBondContact O-N 3.05Å; P124-L127 PolarHBondContact O-N 3.42Å; P124-Q128 WeakPolarHBondContact O-CB 3.04Å; P124-Q128 PolarHBondContact O-N 3.24Å |
| 125 | T | 61 | Low | 54.1 | Low | 103 Ų | 103 | 120.9 Ų | 120.9 | 63% | 0.632 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.4 | -35.3 | 173.8 | -24.5 | 0 | 0 | 0 | 0 | 113.6 | S123 Q128 H129 | S123-T125 PolarHBondContact O-N 3.22Å; S123-T125 PolarHBondContact OG-OG1 3.42Å; T125-Q128 WeakPolarHBondContact O-CB 3.3Å; T125-H129 WeakPolarHBondContact O-CB 3.3Å; T125-H129 PolarHBondContact O-N 3.44Å |
| 126 | V | 60.1 | Low | 54.6 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 44% | 0.436 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.7 | -37.4 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | F122 S123 P124 H129 A130 | F122-V126 HydrophobicContact CB-CB 4.26Å; F122-V126 HydrophobicContact CB-CG1 4.33Å; F122-V126 HydrophobicContact CD1-CG1 3.87Å; F122-V126 HydrophobicContact CG-CG1 4.41Å; S123-V126 WeakPolarHBondContact O-CA 3.3Å; S123-V126 WeakPolarHBondContact O-CB 3.41Å; S123-V126 PolarHBondContact O-N 3.22Å; P124-V126 VanDerWaalsContact C-N 3.29Å; P124-V126 PolarHBondContact O-N 3.05Å; V126-H129 PolarHBondContact O-N 3.13Å; V126-A130 WeakPolarHBondContact O-CB 3.29Å; V126-A130 PolarHBondContact O-N 3.17Å |
| 127 | L | 57.4 | Low | 55.1 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 56% | 0.555 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.1 | -38.7 | 171.7 | -73 | 164 | 0 | 0 | 0 | 111.5 | F122 S123 P124 H129 S131 | F122-L127 HydrophobicContact CB-CG 4.3Å; S123-L127 PolarHBondContact O-N 3.16Å; P124-L127 PolarHBondContact O-N 3.42Å; L127-H129 VanDerWaalsContact C-N 3.32Å; L127-H129 PolarHBondContact O-N 2.95Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.21Å |
| 128 | Q | 58 | Low | 55.4 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61 | -40.3 | 171.3 | -148.5 | 91.7 | 35.3 | 0 | 0 | 111.6 | P124 T125 S131 S132 | P124-Q128 WeakPolarHBondContact O-CB 3.04Å; P124-Q128 PolarHBondContact O-N 3.24Å; T125-Q128 WeakPolarHBondContact O-CB 3.3Å; Q128-S131 WeakPolarHBondContact CA-OG 3.49Å; Q128-S131 PolarHBondContact O-OG 2.81Å; Q128-S131 VanDerWaalsContact O-OG 3.06Å; Q128-S132 WeakPolarHBondContact O-CB 3.49Å; Q128-S132 PolarHBondContact O-N 2.94Å; Q128-S132 VanDerWaalsContact O-N 3.1Å; Q128-S132 PolarHBondContact O-OG 3.02Å |
| 129 | H | 49.8 | Very low | 55.5 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.5 | -42.4 | 179 | -160.3 | -98.8 | 0 | 0 | 0 | 112.1 | T125 V126 L127 S131 S132 L133 | T125-H129 WeakPolarHBondContact O-CB 3.3Å; T125-H129 PolarHBondContact O-N 3.44Å; V126-H129 PolarHBondContact O-N 3.13Å; L127-H129 VanDerWaalsContact C-N 3.32Å; L127-H129 PolarHBondContact O-N 2.95Å; H129-S131 PolarHBondContact O-N 2.83Å; H129-S132 CarbonylContact O-C 3.57Å; H129-S132 WeakPolarHBondContact O-CA 3.48Å; H129-S132 WeakPolarHBondContact O-CB 3.47Å; H129-S132 PolarHBondContact O-N 3.45Å; H129-L133 WeakPolarHBondContact ND1-CD1 3.44Å; H129-L133 WeakPolarHBondContact O-CG 3.42Å; H129-L133 PolarHBondContact O-N 3.31Å |
| 130 | A | 49.8 | Very low | 55.4 | Low | 42 Ų | 42 | 101.3 Ų | 101.3 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V126 S132 L133 Y134 | V126-A130 WeakPolarHBondContact O-CB 3.29Å; V126-A130 PolarHBondContact O-N 3.17Å; A130-S132 PolarHBondContact O-N 3.34Å; A130-L133 PolarHBondContact O-N 2.89Å; A130-Y134 PolarHBondContact O-N 3.14Å |
| 131 | S | 56.1 | Low | 55.1 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -20.7 | 172.8 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | L127 Q128 H129 G135 | L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.75Å; L127-S131 PolarHBondContact O-OG 3.21Å; Q128-S131 WeakPolarHBondContact CA-OG 3.49Å; Q128-S131 PolarHBondContact O-OG 2.81Å; Q128-S131 VanDerWaalsContact O-OG 3.06Å; H129-S131 PolarHBondContact O-N 2.83Å; S131-G135 WeakPolarHBondContact O-CA 3.39Å; S131-G135 PolarHBondContact O-N 3.13Å |
| 132 | S | 56.4 | Low | 54.7 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.5 | -29.3 | 170.3 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | Q128 H129 A130 | Q128-S132 WeakPolarHBondContact O-CB 3.49Å; Q128-S132 PolarHBondContact O-N 2.94Å; Q128-S132 VanDerWaalsContact O-N 3.1Å; Q128-S132 PolarHBondContact O-OG 3.02Å; H129-S132 CarbonylContact O-C 3.57Å; H129-S132 WeakPolarHBondContact O-CA 3.48Å; H129-S132 WeakPolarHBondContact O-CB 3.47Å; H129-S132 PolarHBondContact O-N 3.45Å; A130-S132 PolarHBondContact O-N 3.34Å |
| 133 | L | 53.7 | Low | 54.2 | Low | 119 Ų | 119 | 97.3 Ų | 97.3 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -82.8 | -34 | 177.9 | -70.6 | 174.5 | 0 | 0 | 0 | 113.3 | H129 A130 | H129-L133 WeakPolarHBondContact ND1-CD1 3.44Å; H129-L133 WeakPolarHBondContact O-CG 3.42Å; H129-L133 PolarHBondContact O-N 3.31Å; A130-L133 PolarHBondContact O-N 2.89Å |
| 134 | Y | 51.6 | Low | 53.8 | Low | 206 Ų | 206 | 97.4 Ų | 97.4 | 81% | 0.808 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -109.1 | 1.1 | -180 | -66.9 | -80.6 | 0 | 0 | 0 | 113.7 | A130 G136 | A130-Y134 PolarHBondContact O-N 3.14Å; Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.26Å |
| 135 | G | 50.9 | Low | 52.8 | Low | 44 Ų | 44 | 101.6 Ų | 101.6 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | trans | -72 | 76.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S131 H137 | S131-G135 WeakPolarHBondContact O-CA 3.39Å; S131-G135 PolarHBondContact O-N 3.13Å; G135-H137 PolarHBondContact O-N 3.04Å | ||
| 136 | G | 56.6 | Low | 51.9 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | trans | -52 | 133.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y134 I138 | Y134-G136 VanDerWaalsContact C-N 3.28Å; Y134-G136 PolarHBondContact O-N 3.26Å; G136-I138 PolarHBondContact O-N 3.28Å | ||
| 137 | H | 53.4 | Low | 51.2 | Low | 136 Ų | 136 | 104.8 Ų | 104.8 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -62.6 | 8.5 | -168 | -57.9 | -74.5 | 0 | 0 | 0 | 116.9 | G135 S139 S193 | G135-H137 PolarHBondContact O-N 3.04Å; H137-S139 PolarHBondContact O-N 3.35Å; H137-S193 PolarHBondContact O-OG 3.28Å |
| 138 | I | 54.5 | Low | 51 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86 | 86 | -177.5 | -60.2 | 171 | 0 | 0 | 0 | 109 | G136 R140 L205 | G136-I138 PolarHBondContact O-N 3.28Å; I138-R140 HydrophobicContact CG2-CG 3.98Å; I138-R140 PolarHBondContact O-N 2.89Å; I138-L205 HydrophobicContact CG2-CD2 3.95Å |
| 139 | S | 56.5 | Low | 50.4 | Low | 63 Ų | 63 | 104.7 Ų | 104.7 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 83.6 | 165.4 | -61.7 | 0 | 0 | 0 | 0 | 110 | H137 S141 G191 | H137-S139 PolarHBondContact O-N 3.35Å; S139-S141 PolarHBondContact O-N 2.88Å; S139-G191 PolarHBondContact O-N 3.3Å |
| 140 | R | 53.2 | Low | 50.6 | Low | 176 Ų | 176 | 104.3 Ų | 104.3 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.3 | 124.9 | 159.7 | -61.3 | -169.1 | -179.5 | -143.5 | 0.2 | 107 | I138 F190 | I138-R140 HydrophobicContact CG2-CG 3.98Å; I138-R140 PolarHBondContact O-N 2.89Å; R140-F190 HydrophobicContact CG-CD1 4.5Å; R140-F190 HydrophobicContact CG-CE1 4.49Å |
| 141 | S | 51.1 | Low | 51.3 | Low | 60 Ų | 60 | 103.9 Ų | 103.9 | 42% | 0.42 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 144 | 165.4 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | S139 P189 | S139-S141 PolarHBondContact O-N 2.88Å; S141-P189 PolarHBondContact N-O 3.23Å; S141-P189 VanDerWaalsContact N-O 3.12Å; S141-P189 PolarHBondContact OG-O 2.9Å |
| 142 | P | 46.7 | Very low | 52.2 | Low | 116 Ų | 116 | 104.4 Ų | 104.4 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 134.2 | 171 | -26.1 | 34.7 | 0 | 0 | 0 | 109.4 | P144 | P142-P144 WeakPolarHBondContact O-CD 3.28Š|
| 143 | P | 45.8 | Very low | 53.4 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.2 | 177.4 | 24.3 | -32.6 | 0 | 0 | 0 | 108.1 | Q145 | P143-Q145 PolarHBondContact O-N 3.49Š|
| 144 | P | 45.6 | Very low | 54.8 | Low | 60 Ų | 60 | 104.2 Ų | 104.2 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 128.5 | 179.8 | -25.4 | 33.1 | 0 | 0 | 0 | 110 | P142 Q146 M187 | P142-P144 WeakPolarHBondContact O-CD 3.28Å; P144-Q146 HydrophobicContact CB-CB 4.34Å; P144-Q146 HydrophobicContact CB-CG 4.48Å; P144-Q146 PolarHBondContact O-N 3.14Å; P144-M187 HydrophobicContact CB-CE 4.37Å; P144-M187 HydrophobicContact CG-CE 3.61Å; P144-M187 HydrophobicContact CG-SD 4.31Å |
| 145 | Q | 41.1 | Very low | 56.4 | Low | 184 Ų | 184 | 95.5 Ų | 95.5 | 86% | 0.86 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -74.6 | 5.4 | 172.8 | -68 | -70.7 | -61.6 | 0 | 0 | 112.1 | P143 | P143-Q145 PolarHBondContact O-N 3.49Š|
| 146 | Q | 41.2 | Very low | 57.7 | Low | 152 Ų | 152 | 97.8 Ų | 97.8 | 71% | 0.71 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -70.2 | 132.7 | 165 | -59.6 | -79.7 | -101.3 | 0 | 0 | 108.3 | P144 | P144-Q146 HydrophobicContact CB-CB 4.34Å; P144-Q146 HydrophobicContact CB-CG 4.48Å; P144-Q146 PolarHBondContact O-N 3.14Å |
| 147 | P | 46.1 | Very low | 59 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | trans | -51.2 | 142.5 | 168.7 | -25.8 | 35.4 | 0 | 0 | 0 | 111.2 | D149 | P147-D149 PolarHBondContact O-N 3.24Š| ||
| 148 | L | 53.6 | Low | 60.4 | Low | 125 Ų | 125 | 98 Ų | 98 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | trans | -81 | 77.8 | 169.5 | -72.1 | 163.3 | 0 | 0 | 0 | 107.5 | C150 | L148-C150 PolarHBondContact O-N 3.14Š| ||
| 149 | D | 45 | Very low | 61.9 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 60% | 0.599 | 56% | 0.555 | S | S | * | * | trans | -60.8 | 104.6 | -166.7 | -77.9 | -55.3 | 0 | 0 | 0 | 113.2 | P147 S151 | P147-D149 PolarHBondContact O-N 3.24Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 PolarHBondContact O-OG 3.12Å | ||
| 150 | C | 52.9 | Low | 63.3 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 72% | 0.723 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 48.3 | 9.6 | 150.1 | 64.2 | 0 | 0 | 0 | 0 | 120 | L148 T152 I164 | L148-C150 PolarHBondContact O-N 3.14Å; C150-T152 VanDerWaalsContact C-N 3.31Å; C150-T152 PolarHBondContact O-N 3.34Å; C150-I164 VanDerWaalsContact O-CD1 3.26Å; C150-I164 WeakPolarHBondContact O-CD1 3.47Å |
| 151 | S | 65.4 | Low | 64.9 | Low | 34 Ų | 34 | 92.2 Ų | 92.2 | 24% | 0.238 | 52% | 0.522 | C | S | . | . | trans | -87.2 | 14.3 | -173.1 | -58.6 | 0 | 0 | 0 | 0 | 115.2 | D149 I164 | D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 PolarHBondContact O-OG 3.12Å; S151-I164 PolarHBondContact O-N 3.42Å | ||
| 152 | T | 75.7 | Confident | 66.6 | Low | 83 Ų | 83 | 92 Ų | 92 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.5 | -174.7 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | C150 L176 V180 | C150-T152 VanDerWaalsContact C-N 3.31Å; C150-T152 PolarHBondContact O-N 3.34Å; T152-L176 HydrophobicContact CG2-CD1 4.44Å; T152-L176 HydrophobicContact CG2-CD2 3.54Å; T152-L176 HydrophobicContact CG2-CG 3.76Å; T152-V180 HydrophobicContact CG2-CG2 4.48Å |
| 153 | H | 80.5 | Confident | 68.5 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.6 | 175.1 | -178.8 | -97 | 0 | 0 | 0 | 111.3 | H162 I164 | H153-H162 HydrophobicContact CB-CB 4.34Å; H153-H162 PolarHBondContact N-O 3.32Å; H153-H162 PolarHBondContact O-N 2.88Å; H153-I164 HydrophobicContact CB-CD1 4.05Å; H153-I164 HydrophobicContact CB-CG1 3.97Å |
| 154 | Y | 84 | Confident | 70.3 | Confident | 97 Ų | 97 | 86.4 Ų | 86.4 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.4 | 174.4 | 171.7 | -109.8 | 0 | 0 | 0 | 110.6 | P156 N159 T160 Y161 | Y154-P156 HydrophobicContact CE1-CB 3.84Å; Y154-P156 VanDerWaalsContact O-CD 3.29Å; Y154-P156 WeakPolarHBondContact O-CD 3.44Å; Y154-N159 PolarHBondContact OH-OD1 3.29Å; Y154-T160 WeakPolarHBondContact CD2-O 3.48Å; Y154-Y161 HydrophobicContact CD2-CD1 4.08Å; Y154-Y161 AromaticContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE2 4.36Å; Y154-Y161 HydrophobicContact CD2-CG 4.49Å; Y154-Y161 AromaticContact CD2-CZ 3.95Å; Y154-Y161 HydrophobicContact CE2-CE1 4.48Å; Y154-Y161 HydrophobicContact CE2-CE2 4.46Å |
| 155 | S | 83.8 | Confident | 72 | Confident | 22 Ų | 22 | 87.3 Ų | 87.3 | 15% | 0.154 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 103.8 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | T157 S158 N159 T160 H162 | S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 2.74Å; S155-S158 WeakPolarHBondContact CB-OG 3.46Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact OG-OG 3.34Å; S155-N159 VanDerWaalsContact O-CA 3.31Å; S155-N159 WeakPolarHBondContact O-CA 3.39Å; S155-N159 PolarHBondContact O-N 3.45Å; S155-T160 PolarHBondContact N-O 2.86Å; S155-T160 PolarHBondContact O-N 3.35Å; S155-H162 WeakPolarHBondContact CB-NE2 3.34Å |
| 156 | P | 78.3 | Confident | 74.1 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.7 | 177.6 | 26.2 | -34.2 | 0 | 0 | 0 | 112.6 | Y154 S158 | Y154-P156 HydrophobicContact CE1-CB 3.84Å; Y154-P156 VanDerWaalsContact O-CD 3.29Å; Y154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-S158 PolarHBondContact O-N 3.43Å |
| 157 | T | 84.9 | Confident | 76.1 | Confident | 139 Ų | 139 | 79.3 Ų | 79.3 | 85% | 0.853 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.7 | -179.9 | -42.2 | 0 | 0 | 0 | 0 | 113.3 | S155 | S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 2.74Å |
| 158 | S | 82.8 | Confident | 78 | Confident | 61 Ų | 61 | 80 Ų | 80 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -4.2 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | S155 P156 T160 H162 | S155-S158 WeakPolarHBondContact CB-OG 3.46Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact OG-OG 3.34Å; P156-S158 PolarHBondContact O-N 3.43Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.4Å; S158-T160 PolarHBondContact OG-OG1 2.95Å; S158-H162 PolarHBondContact OG-NE2 3.37Å |
| 159 | N | 85.2 | Confident | 79.7 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 52.8 | -171.3 | -159.4 | -18.8 | 0 | 0 | 0 | 112.2 | Y154 S155 | Y154-N159 PolarHBondContact OH-OD1 3.29Å; S155-N159 VanDerWaalsContact O-CA 3.31Å; S155-N159 WeakPolarHBondContact O-CA 3.39Å; S155-N159 PolarHBondContact O-N 3.45Å |
| 160 | T | 86.8 | Confident | 81.7 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 158 | -178.6 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | Y154 S155 S158 H162 V169 | Y154-T160 WeakPolarHBondContact CD2-O 3.48Å; S155-T160 PolarHBondContact N-O 2.86Å; S155-T160 PolarHBondContact O-N 3.35Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.4Å; S158-T160 PolarHBondContact OG-OG1 2.95Å; T160-H162 WeakPolarHBondContact CB-NE2 3.5Å; T160-H162 PolarHBondContact O-CD2 3.08Å; T160-H162 PolarHBondContact O-NE2 2.77Å; T160-H162 PolarHBondContact OG1-NE2 3.19Å; T160-V169 HydrophobicContact CG2-CG1 3.84Å |
| 161 | Y | 87.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.3 | -177.4 | -59.9 | -93.4 | 0 | 0 | 0 | 109.2 | Y154 V169 F170 T172 | Y154-Y161 HydrophobicContact CD2-CD1 4.08Å; Y154-Y161 AromaticContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE1 3.8Å; Y154-Y161 HydrophobicContact CD2-CE2 4.36Å; Y154-Y161 HydrophobicContact CD2-CG 4.49Å; Y154-Y161 AromaticContact CD2-CZ 3.95Å; Y154-Y161 HydrophobicContact CE2-CE1 4.48Å; Y154-Y161 HydrophobicContact CE2-CE2 4.46Å; Y161-V169 CarbonylContact O-C 3.57Å; Y161-V169 WeakPolarHBondContact O-CA 3.37Å; Y161-F170 PolarHBondContact N-O 2.84Å; Y161-F170 PolarHBondContact O-N 3.39Å; Y161-T172 VanDerWaalsContact CD2-C 3.4Å |
| 162 | H | 86.1 | Confident | 84.3 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.2 | -171.2 | -61.7 | -106 | 0 | 0 | 0 | 110.4 | H153 S155 S158 T160 K168 V169 L176 | H153-H162 HydrophobicContact CB-CB 4.34Å; H153-H162 PolarHBondContact N-O 3.32Å; H153-H162 PolarHBondContact O-N 2.88Å; S155-H162 WeakPolarHBondContact CB-NE2 3.34Å; S158-H162 PolarHBondContact OG-NE2 3.37Å; T160-H162 WeakPolarHBondContact CB-NE2 3.5Å; T160-H162 PolarHBondContact O-CD2 3.08Å; T160-H162 PolarHBondContact O-NE2 2.77Å; T160-H162 PolarHBondContact OG1-NE2 3.19Å; H162-K168 WeakPolarHBondContact CA-O 3.39Å; H162-V169 WeakPolarHBondContact CE1-CG2 3.39Å; H162-L176 WeakPolarHBondContact O-CD2 3.45Å |
| 163 | C | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.3 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | T165 C166 D167 K168 L176 H184 | C163-T165 PolarHBondContact O-N 3.16Å; C163-C166 PolarHBondContact O-N 2.92Å; C163-D167 VanDerWaalsContact O-CA 3.28Å; C163-D167 WeakPolarHBondContact O-CA 3.49Å; C163-D167 PolarHBondContact O-N 2.96Å; C163-K168 PolarHBondContact N-O 2.75Å; C163-L176 HydrophobicContact CB-CD1 3.51Å; C163-H184 PolarHBondContact SG-NE2 2.78Å; C163-H184 VanDerWaalsContact SG-NE2 3.45Å |
| 164 | I | 82.9 | Confident | 84.8 | Confident | 98 Ų | 98 | 75.2 Ų | 75.2 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24 | -179.5 | -67.3 | 164.1 | 0 | 0 | 0 | 111.7 | C150 S151 H153 | C150-I164 VanDerWaalsContact O-CD1 3.26Å; C150-I164 WeakPolarHBondContact O-CD1 3.47Å; S151-I164 PolarHBondContact O-N 3.42Å; H153-I164 HydrophobicContact CB-CD1 4.05Å; H153-I164 HydrophobicContact CB-CG1 3.97Å |
| 165 | T | 81.3 | Confident | 84.7 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.7 | -177.5 | -32.6 | 0 | 0 | 0 | 0 | 113.9 | C163 | C163-T165 PolarHBondContact O-N 3.16Š|
| 166 | C | 86.3 | Confident | 84.8 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -159.3 | 21.4 | -178.4 | 68 | 0 | 0 | 0 | 0 | 116 | C163 K168 H179 H184 | C163-C166 PolarHBondContact O-N 2.92Å; C166-K168 PolarHBondContact O-N 3.07Å; C166-K168 VanDerWaalsContact SG-CE 3.54Å; C166-H179 PolarHBondContact SG-NE2 3.09Å; C166-H184 PolarHBondContact SG-NE2 2.83Å; C166-H184 VanDerWaalsContact SG-NE2 3.43Å |
| 167 | D | 82.8 | Confident | 84.9 | Confident | 130 Ų | 130 | 69.5 Ų | 69.5 | 70% | 0.695 | 39% | 0.392 | S | S | * | . | trans | 51.2 | 20.2 | 175.8 | -60.5 | -52.4 | 0 | 0 | 0 | 116.6 | C163 V169 | C163-D167 VanDerWaalsContact O-CA 3.28Å; C163-D167 WeakPolarHBondContact O-CA 3.49Å; C163-D167 PolarHBondContact O-N 2.96Å; D167-V169 PolarHBondContact O-N 3.27Å | ||
| 168 | K | 85.2 | Confident | 84.7 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | trans | -72.8 | 129.5 | 178.2 | -65.3 | -172 | -156.5 | -40.8 | 0 | 110.6 | H162 C163 C166 F170 | H162-K168 WeakPolarHBondContact CA-O 3.39Å; C163-K168 PolarHBondContact N-O 2.75Å; C166-K168 PolarHBondContact O-N 3.07Å; C166-K168 VanDerWaalsContact SG-CE 3.54Å; K168-F170 HydrophobicContact CB-CE2 3.53Å; K168-F170 HydrophobicContact CB-CZ 3.79Å; K168-F170 WeakPolarHBondContact O-CD2 3.45Å; K168-F170 VanDerWaalsContact O-CE2 3.26Å; K168-F170 WeakPolarHBondContact O-CE2 3.41Å | ||
| 169 | V | 88.6 | Confident | 84.8 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 47% | 0.473 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.2 | -177.8 | -166.2 | 0 | 0 | 0 | 0 | 110.5 | T160 Y161 H162 D167 | T160-V169 HydrophobicContact CG2-CG1 3.84Å; Y161-V169 CarbonylContact O-C 3.57Å; Y161-V169 WeakPolarHBondContact O-CA 3.37Å; H162-V169 WeakPolarHBondContact CE1-CG2 3.39Å; D167-V169 PolarHBondContact O-N 3.27Å |
| 170 | F | 87.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 58 Ų | 58 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.5 | 179.7 | -58.5 | -90.6 | 0 | 0 | 0 | 110.2 | Y161 K168 T172 L176 H179 | Y161-F170 PolarHBondContact N-O 2.84Å; Y161-F170 PolarHBondContact O-N 3.39Å; K168-F170 HydrophobicContact CB-CE2 3.53Å; K168-F170 HydrophobicContact CB-CZ 3.79Å; K168-F170 WeakPolarHBondContact O-CD2 3.45Å; K168-F170 VanDerWaalsContact O-CE2 3.26Å; K168-F170 WeakPolarHBondContact O-CE2 3.41Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 3.43Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.79Å; F170-L176 HydrophobicContact CD2-CD1 3.79Å; F170-L176 HydrophobicContact CD2-CG 4.35Å; F170-L176 HydrophobicContact CE2-CB 4.48Å; F170-L176 HydrophobicContact CE2-CD1 3.82Å; F170-L176 HydrophobicContact CG-CB 4.09Å; F170-H179 HydrophobicContact CE1-CB 3.89Å; F170-H179 HydrophobicContact CE2-CB 4.14Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.4Å; F170-H179 AromaticContact CE2-CG 3.93Å; F170-H179 HydrophobicContact CZ-CB 3.48Å; F170-H179 VanDerWaalsContact CZ-CB 3.48Å; F170-H179 AromaticContact CZ-CD2 3.26Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.46Å; F170-H179 AromaticContact CZ-CG 3.39Å |
| 171 | S | 88.1 | Confident | 84.2 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -78.8 | -8.4 | 174.8 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 172 | T | 85.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -140.7 | 145.6 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | Y161 F170 H174 G175 L176 | Y161-T172 VanDerWaalsContact CD2-C 3.4Å; F170-T172 VanDerWaalsContact C-N 3.28Å; F170-T172 PolarHBondContact O-N 3.43Å; T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.85Å; T172-G175 PolarHBondContact O-N 3Å; T172-G175 PolarHBondContact OG1-N 3.14Å; T172-L176 PolarHBondContact O-N 3.2Å |
| 173 | S | 83.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 112 | G175 L176 E177 | S173-G175 VanDerWaalsContact C-N 3.31Å; S173-G175 PolarHBondContact O-N 3.44Å; S173-L176 PolarHBondContact O-N 2.88Å; S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 2.74Å |
| 174 | H | 82.1 | Confident | 83 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 178.1 | -171.8 | 54.5 | 0 | 0 | 0 | 112.8 | T172 E177 V178 | T172-H174 VanDerWaalsContact C-N 3.33Å; T172-H174 PolarHBondContact O-N 2.85Å; H174-E177 IonicContact CE1-OE2 3.57Å; H174-E177 IonicContact CG-OE2 3.83Å; H174-E177 IonicContact ND1-OE2 2.75Å; H174-E177 PolarHBondContact ND1-OE2 3Å; H174-V178 VanDerWaalsContact CE1-CG2 3.43Å; H174-V178 WeakPolarHBondContact CE1-CG2 3.47Å; H174-V178 VanDerWaalsContact O-CB 3.25Å; H174-V178 WeakPolarHBondContact O-CB 3.42Å; H174-V178 WeakPolarHBondContact O-CG2 3.38Å; H174-V178 PolarHBondContact O-N 3.23Å |
| 175 | G | 83.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 63 Ų | 63 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T172 S173 H179 | T172-G175 PolarHBondContact O-N 3Å; T172-G175 PolarHBondContact OG1-N 3.14Å; S173-G175 VanDerWaalsContact C-N 3.31Å; S173-G175 PolarHBondContact O-N 3.44Å; G175-H179 WeakPolarHBondContact O-CB 3.46Å; G175-H179 PolarHBondContact O-N 2.88Å |
| 176 | L | 84.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 175.8 | 173.9 | 58.1 | 0 | 0 | 0 | 112.3 | T152 H162 C163 F170 T172 S173 V178 H179 V180 | T152-L176 HydrophobicContact CG2-CD1 4.44Å; T152-L176 HydrophobicContact CG2-CD2 3.54Å; T152-L176 HydrophobicContact CG2-CG 3.76Å; H162-L176 WeakPolarHBondContact O-CD2 3.45Å; C163-L176 HydrophobicContact CB-CD1 3.51Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.79Å; F170-L176 HydrophobicContact CD2-CD1 3.79Å; F170-L176 HydrophobicContact CD2-CG 4.35Å; F170-L176 HydrophobicContact CE2-CB 4.48Å; F170-L176 HydrophobicContact CE2-CD1 3.82Å; F170-L176 HydrophobicContact CG-CB 4.09Å; T172-L176 PolarHBondContact O-N 3.2Å; S173-L176 PolarHBondContact O-N 2.88Å; L176-V178 VanDerWaalsContact C-N 3.29Å; L176-V178 PolarHBondContact O-N 3.21Å; L176-H179 WeakPolarHBondContact O-CB 3.4Å; L176-H179 PolarHBondContact O-N 2.96Å; L176-H179 VanDerWaalsContact O-N 3.1Å; L176-V180 HydrophobicContact CD1-CG2 3.81Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.24Å |
| 177 | E | 81.9 | Confident | 81.5 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.1 | -46.9 | 177 | -177.4 | -158.8 | -167.6 | 0 | 0 | 111.5 | S173 H174 R181 | S173-E177 WeakPolarHBondContact O-CB 3.45Å; S173-E177 PolarHBondContact O-N 2.74Å; H174-E177 IonicContact CE1-OE2 3.57Å; H174-E177 IonicContact CG-OE2 3.83Å; H174-E177 IonicContact ND1-OE2 2.75Å; H174-E177 PolarHBondContact ND1-OE2 3Å; E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.14Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NH1 2.7Å; E177-R181 PolarHBondContact OE1-NH1 2.74Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 PolarHBondContact OE1-NH2 2.7Å; E177-R181 IonicContact OE2-NH1 3.87Å |
| 178 | V | 80.5 | Confident | 81.2 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.2 | -35.4 | 178.4 | 167.3 | 0 | 0 | 0 | 0 | 112.2 | H174 L176 R182 | H174-V178 VanDerWaalsContact CE1-CG2 3.43Å; H174-V178 WeakPolarHBondContact CE1-CG2 3.47Å; H174-V178 VanDerWaalsContact O-CB 3.25Å; H174-V178 WeakPolarHBondContact O-CB 3.42Å; H174-V178 WeakPolarHBondContact O-CG2 3.38Å; H174-V178 PolarHBondContact O-N 3.23Å; L176-V178 VanDerWaalsContact C-N 3.29Å; L176-V178 PolarHBondContact O-N 3.21Å; V178-R182 VanDerWaalsContact CG1-CZ 3.41Å; V178-R182 WeakPolarHBondContact O-CG 3.42Å; V178-R182 PolarHBondContact O-N 3.06Å |
| 179 | H | 84.4 | Confident | 80.6 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -53 | 173.9 | 160.1 | 50.6 | 0 | 0 | 0 | 111.6 | C166 F170 G175 L176 R181 R182 S183 H184 | C166-H179 PolarHBondContact SG-NE2 3.09Å; F170-H179 HydrophobicContact CE1-CB 3.89Å; F170-H179 HydrophobicContact CE2-CB 4.14Å; F170-H179 AromaticContact CE2-CD2 3.33Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.4Å; F170-H179 AromaticContact CE2-CG 3.93Å; F170-H179 HydrophobicContact CZ-CB 3.48Å; F170-H179 VanDerWaalsContact CZ-CB 3.48Å; F170-H179 AromaticContact CZ-CD2 3.26Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.46Å; F170-H179 AromaticContact CZ-CG 3.39Å; G175-H179 WeakPolarHBondContact O-CB 3.46Å; G175-H179 PolarHBondContact O-N 2.88Å; L176-H179 WeakPolarHBondContact O-CB 3.4Å; L176-H179 PolarHBondContact O-N 2.96Å; L176-H179 VanDerWaalsContact O-N 3.1Å; H179-R181 VanDerWaalsContact C-N 3.31Å; H179-R181 PolarHBondContact O-N 3.05Å; H179-R182 PolarHBondContact O-N 3.31Å; H179-R182 VanDerWaalsContact O-N 3.08Å; H179-S183 VanDerWaalsContact CE1-CB 3.41Å; H179-S183 WeakPolarHBondContact CE1-CB 3.36Å; H179-S183 PolarHBondContact CE1-OG 2.92Å; H179-S183 WeakPolarHBondContact ND1-CB 3.47Å; H179-S183 PolarHBondContact ND1-OG 3.49Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.1Å; H179-S183 PolarHBondContact O-OG 2.98Å; H179-H184 AromaticContact CE1-NE2 3.67Å; H179-H184 AromaticContact NE2-NE2 3.66Å |
| 180 | V | 81.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 16% | 0.164 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | T152 L176 R182 H184 S185 | T152-V180 HydrophobicContact CG2-CG2 4.48Å; L176-V180 HydrophobicContact CD1-CG2 3.81Å; L176-V180 HydrophobicContact CG-CG2 4.42Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.24Å; V180-R182 VanDerWaalsContact C-N 3.28Å; V180-R182 PolarHBondContact O-N 2.99Å; V180-H184 PolarHBondContact O-N 3.3Å; V180-H184 VanDerWaalsContact O-N 3.16Å; V180-S185 PolarHBondContact O-N 2.99Å |
| 181 | R | 77.8 | Confident | 80 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.5 | -38.1 | 177.9 | -79.4 | -166.5 | -169.9 | 117.9 | 11.2 | 113.3 | E177 H179 S185 G186 M187 | E177-R181 WeakPolarHBondContact O-CG 3.46Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.14Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NH1 2.7Å; E177-R181 PolarHBondContact OE1-NH1 2.74Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R181 PolarHBondContact OE1-NH2 2.7Å; E177-R181 IonicContact OE2-NH1 3.87Å; H179-R181 VanDerWaalsContact C-N 3.31Å; H179-R181 PolarHBondContact O-N 3.05Å; R181-S185 CarbonylContact O-C 3.22Å; R181-S185 VanDerWaalsContact O-C 3.26Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-G186 CarbonylContact O-C 3.26Å; R181-G186 PolarHBondContact O-N 3.1Å; R181-M187 HydrophobicContact CB-CB 4.25Å; R181-M187 PolarHBondContact O-N 3.05Å |
| 182 | R | 76.7 | Confident | 79.8 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -86.8 | -48.9 | -179.7 | -65.7 | 178.7 | -155.9 | 169.8 | 4.4 | 114 | V178 H179 V180 G186 G200 H201 | V178-R182 VanDerWaalsContact CG1-CZ 3.41Å; V178-R182 WeakPolarHBondContact O-CG 3.42Å; V178-R182 PolarHBondContact O-N 3.06Å; H179-R182 PolarHBondContact O-N 3.31Å; H179-R182 VanDerWaalsContact O-N 3.08Å; V180-R182 VanDerWaalsContact C-N 3.28Å; V180-R182 PolarHBondContact O-N 2.99Å; R182-G186 PolarHBondContact O-N 3.34Å; R182-G200 PolarHBondContact NH2-O 2.92Å; R182-H201 PolarHBondContact NH1-NE2 2.72Å; R182-H201 VanDerWaalsContact NH1-NE2 3.16Å; R182-H201 PolarHBondContact NH2-CD2 2.83Å; R182-H201 PolarHBondContact NH2-CE1 3.45Å; R182-H201 PolarHBondContact NH2-ND1 3.05Å; R182-H201 PolarHBondContact NH2-NE2 2.78Å |
| 183 | S | 78.9 | Confident | 79.5 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 51% | 0.51 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -81.9 | -21.7 | -165.9 | -61.9 | 0 | 0 | 0 | 0 | 113.2 | H179 | H179-S183 VanDerWaalsContact CE1-CB 3.41Å; H179-S183 WeakPolarHBondContact CE1-CB 3.36Å; H179-S183 PolarHBondContact CE1-OG 2.92Å; H179-S183 WeakPolarHBondContact ND1-CB 3.47Å; H179-S183 PolarHBondContact ND1-OG 3.49Å; H179-S183 WeakPolarHBondContact O-CB 3.45Å; H179-S183 PolarHBondContact O-N 3.1Å; H179-S183 PolarHBondContact O-OG 2.98Å |
| 184 | H | 79.6 | Confident | 79.2 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -33.2 | -179.2 | -54.6 | -50.9 | 0 | 0 | 0 | 112.4 | C163 C166 H179 V180 | C163-H184 PolarHBondContact SG-NE2 2.78Å; C163-H184 VanDerWaalsContact SG-NE2 3.45Å; C166-H184 PolarHBondContact SG-NE2 2.83Å; C166-H184 VanDerWaalsContact SG-NE2 3.43Å; H179-H184 AromaticContact CE1-NE2 3.67Å; H179-H184 AromaticContact NE2-NE2 3.66Å; V180-H184 PolarHBondContact O-N 3.3Å; V180-H184 VanDerWaalsContact O-N 3.16Å |
| 185 | S | 73 | Confident | 79.2 | Confident | 71 Ų | 71 | 48 Ų | 48 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -5.1 | -176.2 | -165.4 | 0 | 0 | 0 | 0 | 114.7 | V180 R181 M187 | V180-S185 PolarHBondContact O-N 2.99Å; R181-S185 CarbonylContact O-C 3.22Å; R181-S185 VanDerWaalsContact O-C 3.26Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; S185-M187 WeakPolarHBondContact O-CG 3.26Å; S185-M187 PolarHBondContact O-N 2.99Å; S185-M187 WeakPolarHBondContact OG-CG 3.33Å |
| 186 | G | 73.1 | Confident | 79.1 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | trans | 63.5 | -2.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | R181 R182 | R181-G186 CarbonylContact O-C 3.26Å; R181-G186 PolarHBondContact O-N 3.1Å; R182-G186 PolarHBondContact O-N 3.34Å | ||
| 187 | M | 72.4 | Confident | 78.9 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | trans | -69.6 | 133.5 | -171.3 | -54.5 | -168.4 | 101.6 | 0 | 0 | 113.2 | P144 R181 S185 P189 | P144-M187 HydrophobicContact CB-CE 4.37Å; P144-M187 HydrophobicContact CG-CE 3.61Å; P144-M187 HydrophobicContact CG-SD 4.31Å; R181-M187 HydrophobicContact CB-CB 4.25Å; R181-M187 PolarHBondContact O-N 3.05Å; S185-M187 WeakPolarHBondContact O-CG 3.26Å; S185-M187 PolarHBondContact O-N 2.99Å; S185-M187 WeakPolarHBondContact OG-CG 3.33Å; M187-P189 WeakPolarHBondContact O-CD 3.46Å | ||
| 188 | R | 77.2 | Confident | 78.9 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 53% | 0.525 | 32% | 0.324 | S | S | . | . | trans | -124.7 | 76.2 | 180 | -63.3 | 169.2 | 74.4 | 118.3 | -1.7 | 109.3 | F190 T198 F199 | R188-F190 PolarHBondContact O-N 2.85Å; R188-F190 VanDerWaalsContact O-N 3.13Å; R188-T198 PolarHBondContact NE-O 2.88Å; R188-T198 PolarHBondContact NE-OG1 3.01Å; R188-T198 PolarHBondContact NH2-O 2.93Å; R188-F199 CarbonylContact C-O 3.53Å; R188-F199 WeakPolarHBondContact CA-O 3.42Å | ||
| 189 | P | 72.4 | Confident | 78.8 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | trans | -75.2 | -0.1 | -163.1 | 30.6 | -37.2 | 0 | 0 | 0 | 115.7 | S141 M187 | S141-P189 PolarHBondContact N-O 3.23Å; S141-P189 VanDerWaalsContact N-O 3.12Å; S141-P189 PolarHBondContact OG-O 2.9Å; M187-P189 WeakPolarHBondContact O-CD 3.46Å | ||
| 190 | F | 81.2 | Confident | 78.6 | Confident | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 97.6 | 179.6 | -58.9 | -78.3 | 0 | 0 | 0 | 109.4 | R140 R188 F199 A202 L205 | R140-F190 HydrophobicContact CG-CD1 4.5Å; R140-F190 HydrophobicContact CG-CE1 4.49Å; R188-F190 PolarHBondContact O-N 2.85Å; R188-F190 VanDerWaalsContact O-N 3.13Å; F190-F199 HydrophobicContact CB-CB 4.2Å; F190-F199 WeakPolarHBondContact CB-O 3.5Å; F190-F199 PolarHBondContact N-O 2.93Å; F190-F199 PolarHBondContact O-N 3.28Å; F190-A202 HydrophobicContact CD1-CB 4.04Å; F190-A202 HydrophobicContact CE1-CB 3.73Å; F190-A202 HydrophobicContact CZ-CB 4.1Å; F190-L205 HydrophobicContact CB-CB 4.08Å; F190-L205 HydrophobicContact CB-CD2 3.82Å |
| 191 | G | 81.1 | Confident | 78.4 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S139 S193 L205 | S139-G191 PolarHBondContact O-N 3.3Å; G191-S193 PolarHBondContact O-N 3.39Å; G191-L205 WeakPolarHBondContact O-CD2 3.25Å |
| 192 | C | 83 | Confident | 78.5 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 122.5 | 162.9 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | I194 C195 R196 K197 F199 L205 M209 H212 | C192-I194 VanDerWaalsContact C-N 3.3Å; C192-I194 PolarHBondContact O-N 2.74Å; C192-I194 PolarHBondContact SG-N 3.06Å; C192-I194 VanDerWaalsContact SG-N 3.38Å; C192-C195 PolarHBondContact SG-N 3.48Å; C192-R196 WeakPolarHBondContact O-CA 3.21Å; C192-R196 PolarHBondContact O-N 2.91Å; C192-K197 WeakPolarHBondContact CB-O 3.43Å; C192-K197 PolarHBondContact N-O 3.41Å; C192-F199 HydrophobicContact CB-CE2 4.42Å; C192-L205 HydrophobicContact CB-CD1 3.98Å; C192-M209 HydrophobicContact CB-CE 3.91Å; C192-M209 VanDerWaalsContact SG-CE 3.51Å; C192-H212 PolarHBondContact SG-NE2 3.45Å |
| 193 | S | 79.9 | Confident | 78.8 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -37.9 | 174.3 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | H137 G191 R196 | H137-S193 PolarHBondContact O-OG 3.28Å; G191-S193 PolarHBondContact O-N 3.39Å; S193-R196 PolarHBondContact O-NE 2.87Å |
| 194 | I | 77.9 | Confident | 79 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -54.7 | -171.7 | -57.6 | 166.2 | 0 | 0 | 0 | 112.4 | C192 H212 | C192-I194 VanDerWaalsContact C-N 3.3Å; C192-I194 PolarHBondContact O-N 2.74Å; C192-I194 PolarHBondContact SG-N 3.06Å; C192-I194 VanDerWaalsContact SG-N 3.38Å; I194-H212 HydrophobicContact CD1-CB 3.64Å |
| 195 | C | 82.8 | Confident | 79.3 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 12.2 | -176.9 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | C192 K197 H208 H212 | C192-C195 PolarHBondContact SG-N 3.48Å; C195-K197 PolarHBondContact O-N 2.87Å; C195-H208 PolarHBondContact SG-NE2 2.95Å; C195-H212 WeakPolarHBondContact CB-CE1 3.36Å; C195-H212 PolarHBondContact SG-CE1 3.08Å; C195-H212 PolarHBondContact SG-NE2 3.28Å |
| 196 | R | 81 | Confident | 79.8 | Confident | 198 Ų | 198 | 62.3 Ų | 62.3 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | trans | 58.1 | 1.2 | 173.7 | -54.3 | -56.1 | 178 | 99.3 | -1.1 | 117.4 | C192 S193 T198 | C192-R196 WeakPolarHBondContact O-CA 3.21Å; C192-R196 PolarHBondContact O-N 2.91Å; S193-R196 PolarHBondContact O-NE 2.87Å; R196-T198 PolarHBondContact O-N 3.09Å | ||
| 197 | K | 79.6 | Confident | 80.3 | Confident | 133 Ų | 133 | 66.3 Ų | 66.3 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | trans | -55.4 | 135.3 | 169.5 | -68.6 | -176.2 | -175.4 | -71 | 0 | 110.7 | C192 C195 F199 | C192-K197 WeakPolarHBondContact CB-O 3.43Å; C192-K197 PolarHBondContact N-O 3.41Å; C195-K197 PolarHBondContact O-N 2.87Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.12Å; K197-F199 WeakPolarHBondContact O-CE2 3.15Å | ||
| 198 | T | 81.6 | Confident | 80.8 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.6 | -175.7 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | R188 R196 | R188-T198 PolarHBondContact NE-O 2.88Å; R188-T198 PolarHBondContact NE-OG1 3.01Å; R188-T198 PolarHBondContact NH2-O 2.93Å; R196-T198 PolarHBondContact O-N 3.09Å |
| 199 | F | 80.3 | Confident | 81 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.8 | -173.5 | -61.1 | -91.7 | 0 | 0 | 0 | 111.1 | R188 F190 C192 K197 L205 H208 | R188-F199 CarbonylContact C-O 3.53Å; R188-F199 WeakPolarHBondContact CA-O 3.42Å; F190-F199 HydrophobicContact CB-CB 4.2Å; F190-F199 WeakPolarHBondContact CB-O 3.5Å; F190-F199 PolarHBondContact N-O 2.93Å; F190-F199 PolarHBondContact O-N 3.28Å; C192-F199 HydrophobicContact CB-CE2 4.42Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.12Å; K197-F199 WeakPolarHBondContact O-CE2 3.15Å; F199-L205 HydrophobicContact CB-CB 4.2Å; F199-L205 HydrophobicContact CD2-CB 4.08Å; F199-L205 HydrophobicContact CD2-CD1 3.76Å; F199-L205 HydrophobicContact CE2-CD1 4.04Å; F199-L205 HydrophobicContact CG-CB 4.22Å; F199-H208 HydrophobicContact CE1-CB 4.02Å; F199-H208 HydrophobicContact CE2-CB 4.18Å; F199-H208 AromaticContact CE2-CD2 3.3Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.5Å; F199-H208 AromaticContact CE2-CG 3.85Å; F199-H208 HydrophobicContact CZ-CB 3.64Å; F199-H208 AromaticContact CZ-CD2 3.3Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.41Å; F199-H208 AromaticContact CZ-CG 3.38Å; F199-H208 AromaticContact CZ-NE2 3.99Å |
| 200 | G | 78.4 | Confident | 81.5 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -88.6 | -17.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R182 | R182-G200 PolarHBondContact NH2-O 2.92Š|
| 201 | H | 78.8 | Confident | 81.4 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -123.1 | 149.5 | 175.7 | -69.3 | -70.5 | 0 | 0 | 0 | 109.8 | R182 S204 L205 | R182-H201 PolarHBondContact NH1-NE2 2.72Å; R182-H201 VanDerWaalsContact NH1-NE2 3.16Å; R182-H201 PolarHBondContact NH2-CD2 2.83Å; R182-H201 PolarHBondContact NH2-CE1 3.45Å; R182-H201 PolarHBondContact NH2-ND1 3.05Å; R182-H201 PolarHBondContact NH2-NE2 2.78Å; H201-S204 PolarHBondContact O-N 3.43Å; H201-L205 PolarHBondContact O-N 2.77Å |
| 202 | A | 80 | Confident | 81.1 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F190 S204 L205 E206 | F190-A202 HydrophobicContact CD1-CB 4.04Å; F190-A202 HydrophobicContact CE1-CB 3.73Å; F190-A202 HydrophobicContact CZ-CB 4.1Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.45Å; A202-L205 CarbonylContact O-C 3.6Å; A202-L205 WeakPolarHBondContact O-CA 3.26Å; A202-L205 WeakPolarHBondContact O-CB 3.26Å; A202-L205 PolarHBondContact O-N 3.49Å; A202-E206 WeakPolarHBondContact O-CB 3.34Å; A202-E206 PolarHBondContact O-N 3.39Å |
| 203 | V | 82.8 | Confident | 80.4 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.1 | -36.9 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | E206 Q207 | V203-E206 PolarHBondContact O-N 3.2Å; V203-Q207 WeakPolarHBondContact O-CB 3.41Å; V203-Q207 PolarHBondContact O-N 3.2Å |
| 204 | S | 83.4 | Confident | 79.4 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 176.2 | -54 | 0 | 0 | 0 | 0 | 112.6 | H201 A202 H208 | H201-S204 PolarHBondContact O-N 3.43Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.45Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.43Å; S204-H208 PolarHBondContact O-N 2.75Å; S204-H208 VanDerWaalsContact O-N 3.13Å |
| 205 | L | 84.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 172.2 | 173.7 | 64.4 | 0 | 0 | 0 | 110.9 | I138 F190 G191 C192 F199 H201 A202 H208 M209 | I138-L205 HydrophobicContact CG2-CD2 3.95Å; F190-L205 HydrophobicContact CB-CB 4.08Å; F190-L205 HydrophobicContact CB-CD2 3.82Å; G191-L205 WeakPolarHBondContact O-CD2 3.25Å; C192-L205 HydrophobicContact CB-CD1 3.98Å; F199-L205 HydrophobicContact CB-CB 4.2Å; F199-L205 HydrophobicContact CD2-CB 4.08Å; F199-L205 HydrophobicContact CD2-CD1 3.76Å; F199-L205 HydrophobicContact CE2-CD1 4.04Å; F199-L205 HydrophobicContact CG-CB 4.22Å; H201-L205 PolarHBondContact O-N 2.77Å; A202-L205 CarbonylContact O-C 3.6Å; A202-L205 WeakPolarHBondContact O-CA 3.26Å; A202-L205 WeakPolarHBondContact O-CB 3.26Å; A202-L205 PolarHBondContact O-N 3.49Å; L205-H208 CarbonylContact O-C 3.45Å; L205-H208 WeakPolarHBondContact O-CA 3.36Å; L205-H208 WeakPolarHBondContact O-CB 3.35Å; L205-H208 PolarHBondContact O-N 2.85Å; L205-H208 VanDerWaalsContact O-N 3.14Å; L205-M209 HydrophobicContact CD1-CE 3.44Å; L205-M209 VanDerWaalsContact CD1-CE 3.44Å; L205-M209 HydrophobicContact CD1-SD 4.39Å; L205-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 WeakPolarHBondContact O-CE 2.97Å; L205-M209 WeakPolarHBondContact O-CG 3.48Å; L205-M209 PolarHBondContact O-N 3.24Å |
| 206 | E | 84.4 | Confident | 76.8 | Confident | 111 Ų | 111 | 75 Ų | 75 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 177 | -178.3 | 176.8 | -164.6 | 0 | 0 | 111.7 | A202 V203 H208 M209 N210 | A202-E206 WeakPolarHBondContact O-CB 3.34Å; A202-E206 PolarHBondContact O-N 3.39Å; V203-E206 PolarHBondContact O-N 3.2Å; E206-H208 PolarHBondContact O-N 2.91Å; E206-M209 WeakPolarHBondContact O-CB 3.25Å; E206-M209 PolarHBondContact O-N 3.18Å; E206-N210 PolarHBondContact O-N 2.76Å |
| 207 | Q | 82.8 | Confident | 75.2 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 64% | 0.64 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.6 | -37.4 | 172.5 | -171.9 | -177 | 14.2 | 0 | 0 | 111.8 | V203 N210 | V203-Q207 WeakPolarHBondContact O-CB 3.41Å; V203-Q207 PolarHBondContact O-N 3.2Å; Q207-N210 WeakPolarHBondContact O-CB 3.37Å; Q207-N210 PolarHBondContact O-N 3.44Å |
| 208 | H | 82.9 | Confident | 73.7 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 13% | 0.13 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.3 | -30.7 | 175.8 | 173.1 | 54.1 | 0 | 0 | 0 | 113.3 | C195 F199 S204 L205 E206 N210 V211 H212 | C195-H208 PolarHBondContact SG-NE2 2.95Å; F199-H208 HydrophobicContact CE1-CB 4.02Å; F199-H208 HydrophobicContact CE2-CB 4.18Å; F199-H208 AromaticContact CE2-CD2 3.3Å; F199-H208 WeakPolarHBondContact CE2-CD2 3.5Å; F199-H208 AromaticContact CE2-CG 3.85Å; F199-H208 HydrophobicContact CZ-CB 3.64Å; F199-H208 AromaticContact CZ-CD2 3.3Å; F199-H208 WeakPolarHBondContact CZ-CD2 3.41Å; F199-H208 AromaticContact CZ-CG 3.38Å; F199-H208 AromaticContact CZ-NE2 3.99Å; S204-H208 VanDerWaalsContact O-CB 3.28Å; S204-H208 WeakPolarHBondContact O-CB 3.43Å; S204-H208 PolarHBondContact O-N 2.75Å; S204-H208 VanDerWaalsContact O-N 3.13Å; L205-H208 CarbonylContact O-C 3.45Å; L205-H208 WeakPolarHBondContact O-CA 3.36Å; L205-H208 WeakPolarHBondContact O-CB 3.35Å; L205-H208 PolarHBondContact O-N 2.85Å; L205-H208 VanDerWaalsContact O-N 3.14Å; E206-H208 PolarHBondContact O-N 2.91Å; H208-N210 PolarHBondContact O-N 3.45Å; H208-V211 WeakPolarHBondContact O-CB 3.41Å; H208-V211 PolarHBondContact O-N 2.84Å; H208-V211 VanDerWaalsContact O-N 3.11Å; H208-H212 AromaticContact CD2-NE2 3.29Å; H208-H212 PolarHBondContact CD2-NE2 3.49Å; H208-H212 VanDerWaalsContact CD2-NE2 3.29Å; H208-H212 AromaticContact CE1-CD2 3.99Å; H208-H212 AromaticContact CE1-NE2 2.67Å; H208-H212 PolarHBondContact CE1-NE2 2.76Å; H208-H212 AromaticContact ND1-NE2 3.73Å; H208-H212 AromaticContact NE2-CD2 3.88Å; H208-H212 AromaticContact NE2-NE2 2.27Å; H208-H212 PolarHBondContact NE2-NE2 2.88Å |
| 209 | M | 82.2 | Confident | 72.2 | Confident | 28 Ų | 28 | 73 Ų | 73 | 14% | 0.138 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.1 | -27.7 | 173.7 | -65 | -50.9 | 86.4 | 0 | 0 | 112.1 | C192 L205 E206 V211 H212 S213 | C192-M209 HydrophobicContact CB-CE 3.91Å; C192-M209 VanDerWaalsContact SG-CE 3.51Å; L205-M209 HydrophobicContact CD1-CE 3.44Å; L205-M209 VanDerWaalsContact CD1-CE 3.44Å; L205-M209 HydrophobicContact CD1-SD 4.39Å; L205-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 WeakPolarHBondContact O-CE 2.97Å; L205-M209 WeakPolarHBondContact O-CG 3.48Å; L205-M209 PolarHBondContact O-N 3.24Å; E206-M209 WeakPolarHBondContact O-CB 3.25Å; E206-M209 PolarHBondContact O-N 3.18Å; M209-V211 PolarHBondContact O-N 2.92Å; M209-H212 PolarHBondContact O-N 2.72Å; M209-H212 VanDerWaalsContact O-N 3.15Å; M209-S213 PolarHBondContact O-N 3.3Å |
| 210 | N | 82.8 | Confident | 70.7 | Confident | 93 Ų | 93 | 77.5 Ų | 77.5 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -28.7 | 175.7 | -64 | -36.9 | 0 | 0 | 0 | 113 | E206 Q207 H208 S213 Q214 | E206-N210 PolarHBondContact O-N 2.76Å; Q207-N210 WeakPolarHBondContact O-CB 3.37Å; Q207-N210 PolarHBondContact O-N 3.44Å; H208-N210 PolarHBondContact O-N 3.45Å; N210-S213 WeakPolarHBondContact O-CB 3.32Å; N210-S213 PolarHBondContact O-N 3.39Å; N210-Q214 WeakPolarHBondContact O-CG 3.29Å; N210-Q214 PolarHBondContact O-N 2.9Å |
| 211 | V | 79.3 | Confident | 69 | Low | 74 Ų | 74 | 85.9 Ų | 85.9 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | H208 M209 S213 Q214 V215 | H208-V211 WeakPolarHBondContact O-CB 3.41Å; H208-V211 PolarHBondContact O-N 2.84Å; H208-V211 VanDerWaalsContact O-N 3.11Å; M209-V211 PolarHBondContact O-N 2.92Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 1.9Å; V211-Q214 PolarHBondContact O-N 3.43Å; V211-V215 WeakPolarHBondContact O-CG2 3.05Å; V211-V215 PolarHBondContact O-N 3.27Å; V211-V215 VanDerWaalsContact O-N 3.08Å |
| 212 | H | 75.1 | Confident | 67.6 | Low | 40 Ų | 40 | 90.7 Ų | 90.7 | 19% | 0.185 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 174.4 | -61.8 | -72.9 | 0 | 0 | 0 | 112 | C192 I194 C195 H208 M209 V215 N216 | C192-H212 PolarHBondContact SG-NE2 3.45Å; I194-H212 HydrophobicContact CD1-CB 3.64Å; C195-H212 WeakPolarHBondContact CB-CE1 3.36Å; C195-H212 PolarHBondContact SG-CE1 3.08Å; C195-H212 PolarHBondContact SG-NE2 3.28Å; H208-H212 AromaticContact CD2-NE2 3.29Å; H208-H212 PolarHBondContact CD2-NE2 3.49Å; H208-H212 VanDerWaalsContact CD2-NE2 3.29Å; H208-H212 AromaticContact CE1-CD2 3.99Å; H208-H212 AromaticContact CE1-NE2 2.67Å; H208-H212 PolarHBondContact CE1-NE2 2.76Å; H208-H212 AromaticContact ND1-NE2 3.73Å; H208-H212 AromaticContact NE2-CD2 3.88Å; H208-H212 AromaticContact NE2-NE2 2.27Å; H208-H212 PolarHBondContact NE2-NE2 2.88Å; M209-H212 PolarHBondContact O-N 2.72Å; M209-H212 VanDerWaalsContact O-N 3.15Å; H212-V215 PolarHBondContact O-N 3.38Å; H212-N216 VanDerWaalsContact O-CB 3.29Å; H212-N216 WeakPolarHBondContact O-CB 3.35Å; H212-N216 VanDerWaalsContact O-CG 3.29Å; H212-N216 PolarHBondContact O-N 3.42Å; H212-N216 PolarHBondContact O-ND2 3.29Å |
| 213 | S | 68.4 | Low | 66.2 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 174 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | M209 N210 V211 N216 K217 | M209-S213 PolarHBondContact O-N 3.3Å; N210-S213 WeakPolarHBondContact O-CB 3.32Å; N210-S213 PolarHBondContact O-N 3.39Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 1.9Å; S213-N216 PolarHBondContact O-N 2.86Å; S213-K217 PolarHBondContact O-N 2.8Å |
| 214 | Q | 59.2 | Low | 64.5 | Low | 140 Ų | 140 | 102.9 Ų | 102.9 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 173.5 | -75.5 | 173.4 | -39.9 | 0 | 0 | 111.8 | N210 V211 N216 K217 | N210-Q214 WeakPolarHBondContact O-CG 3.29Å; N210-Q214 PolarHBondContact O-N 2.9Å; V211-Q214 PolarHBondContact O-N 3.43Å; Q214-N216 VanDerWaalsContact C-N 3.29Å; Q214-N216 PolarHBondContact O-N 2.87Å; Q214-K217 PolarHBondContact O-N 3Å |
| 215 | V | 55.1 | Low | 62.9 | Low | 88 Ų | 88 | 109 Ų | 109 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | V211 H212 K217 N218 T219 | V211-V215 WeakPolarHBondContact O-CG2 3.05Å; V211-V215 PolarHBondContact O-N 3.27Å; V211-V215 VanDerWaalsContact O-N 3.08Å; H212-V215 PolarHBondContact O-N 3.38Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 2.89Å; V215-N218 PolarHBondContact O-N 3.21Å; V215-T219 PolarHBondContact O-N 3.13Å |
| 216 | N | 51.3 | Low | 61.4 | Low | 81 Ų | 81 | 118.1 Ų | 118.1 | 43% | 0.433 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.8 | -12.5 | -178.4 | -81.5 | -30.3 | 0 | 0 | 0 | 115.3 | H212 S213 Q214 N218 T219 H220 | H212-N216 VanDerWaalsContact O-CB 3.29Å; H212-N216 WeakPolarHBondContact O-CB 3.35Å; H212-N216 VanDerWaalsContact O-CG 3.29Å; H212-N216 PolarHBondContact O-N 3.42Å; H212-N216 PolarHBondContact O-ND2 3.29Å; S213-N216 PolarHBondContact O-N 2.86Å; Q214-N216 VanDerWaalsContact C-N 3.29Å; Q214-N216 PolarHBondContact O-N 2.87Å; N216-N218 PolarHBondContact O-N 2.76Å; N216-T219 VanDerWaalsContact CA-OG1 3.3Å; N216-T219 WeakPolarHBondContact CA-OG1 3.31Å; N216-T219 PolarHBondContact O-N 3.09Å; N216-T219 PolarHBondContact O-OG1 2.83Å; N216-T219 PolarHBondContact OD1-OG1 2.94Å; N216-H220 PolarHBondContact O-N 2.9Å |
| 217 | K | 46.8 | Very low | 59.2 | Low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -28.6 | 166.7 | -69.8 | -171.1 | 175.9 | -174.8 | 0 | 112.2 | S213 Q214 V215 | S213-K217 PolarHBondContact O-N 2.8Å; Q214-K217 PolarHBondContact O-N 3Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 2.89Å |
| 218 | N | 48.1 | Very low | 57.1 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -85.4 | -35 | 175.1 | -69.1 | 5.8 | 0 | 0 | 0 | 112.1 | V215 N216 H220 Y221 F222 | V215-N218 PolarHBondContact O-N 3.21Å; N216-N218 PolarHBondContact O-N 2.76Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 2.76Å; N218-Y221 PolarHBondContact O-N 3.05Å; N218-F222 PolarHBondContact O-N 3.07Å |
| 219 | T | 49.5 | Very low | 55.8 | Low | 74 Ų | 74 | 130.3 Ų | 130.3 | 45% | 0.454 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.4 | -30.1 | 179.8 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | V215 N216 | V215-T219 PolarHBondContact O-N 3.13Å; N216-T219 VanDerWaalsContact CA-OG1 3.3Å; N216-T219 WeakPolarHBondContact CA-OG1 3.31Å; N216-T219 PolarHBondContact O-N 3.09Å; N216-T219 PolarHBondContact O-OG1 2.83Å; N216-T219 PolarHBondContact OD1-OG1 2.94Å |
| 220 | H | 49.1 | Very low | 54.4 | Low | 131 Ų | 131 | 135.6 Ų | 135.6 | 61% | 0.606 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -21.7 | 175.7 | -148.9 | -62 | 0 | 0 | 0 | 113.5 | N216 N218 F224 | N216-H220 PolarHBondContact O-N 2.9Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 2.76Å; H220-F224 AromaticContact CE1-CE2 3.86Å |
| 221 | Y | 43.2 | Very low | 52.9 | Low | 187 Ų | 187 | 138 Ų | 138 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -35.7 | 177 | -148.6 | -90.8 | 0 | 0 | 0 | 111.8 | N218 R223 | N218-Y221 PolarHBondContact O-N 3.05Å; Y221-R223 PolarHBondContact O-N 3.25Å |
| 222 | F | 48.9 | Very low | 51.3 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 79% | 0.789 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -3.6 | -179.4 | -80.8 | -76.3 | 0 | 0 | 0 | 115.4 | N218 | N218-F222 PolarHBondContact O-N 3.07Š|
| 223 | R | 50.8 | Low | 49.8 | Very low | 220 Ų | 220 | 148.1 Ų | 148.1 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -1 | -179.1 | -148.6 | 172.9 | -175.2 | 129.5 | 3.6 | 115 | Y221 | Y221-R223 PolarHBondContact O-N 3.25Š|
| 224 | F | 46 | Very low | 48.6 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -118.9 | 8.6 | -178.6 | -88.3 | -81.5 | 0 | 0 | 0 | 115.4 | H220 | H220-F224 AromaticContact CE1-CE2 3.86Š|
| 225 | H | 51 | Low | 47.8 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -120.2 | 32.8 | 177 | -109.3 | -64 | 0 | 0 | 0 | 114.8 | ||
| 226 | K | 52.4 | Low | 47.3 | Very low | 190 Ų | 190 | 159.8 Ų | 159.8 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -143.2 | 90.2 | 160.3 | -81.1 | -164.4 | 173.7 | -176.4 | 0 | 111.1 | ||
| 227 | N | 38.3 | Very low | 46.9 | Very low | 151 Ų | 151 | 166.3 Ų | 166.3 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 170.5 | 124.5 | 132.1 | -85.7 | -23 | 0 | 0 | 0 | 109.9 | ||||
| 228 | L | 39 | Very low | 46.9 | Very low | 250 Ų | 250 | 166.7 Ų | 166.7 | 100% | 1.309 | 77% | 0.772 | S | S | * | * | trans | 59.2 | 0 | -172.4 | -61.9 | 102.3 | 0 | 0 | 0 | 113.9 |
Retrieved 228 of 228 residues in 157.1 ms
(Link to these results)