| 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 | 40.9 | Very low | 46.2 | Very low | 245 Ų | 245 | 159.3 Ų | 159.3 | 100% | 1.207 | 83% | 0.826 | S | S | * | * | 0 | 115.5 | 0 | -83.3 | 177.3 | 70.6 | 0 | 0 | 108.4 | |||||
| 2 | L | 39 | Very low | 46.8 | Very low | 158 Ų | 158 | 162.3 Ų | 162.3 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -55.9 | 143.5 | 176.7 | -128.3 | 73.7 | 0 | 0 | 0 | 111.3 | ||||
| 3 | L | 46.7 | Very low | 46.6 | Very low | 160 Ų | 160 | 160 Ų | 160 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -173.7 | 78.3 | 136.3 | -97.4 | 160 | 0 | 0 | 0 | 108.6 | R5 | L3-R5 PolarHBondContact O-N 2.94Š| ||
| 4 | T | 41.9 | Very low | 46.4 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -68.2 | 115 | 163.6 | 33.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | R | 48.2 | Very low | 46.6 | Very low | 212 Ų | 212 | 154 Ų | 154 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -91.6 | 102.1 | 168.4 | -77.9 | -165 | 175.8 | -155.8 | 0.3 | 109.6 | L3 F7 | L3-R5 PolarHBondContact O-N 2.94Å; R5-F7 HydrophobicContact CB-CE2 4.23Å; R5-F7 PolarHBondContact O-N 2.94Å | ||
| 6 | I | 50.8 | Low | 46.9 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -62.7 | 118.8 | 168.4 | -65.9 | 164.3 | 0 | 0 | 0 | 108.2 | L8 | I6-L8 HydrophobicContact CG2-CD1 4.3Å; I6-L8 HydrophobicContact CG2-CG 3.94Å | ||
| 7 | F | 50.8 | Low | 47.2 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -107.2 | 99.6 | 163.9 | -78.5 | -81.4 | 0 | 0 | 0 | 108.3 | R5 L9 | R5-F7 HydrophobicContact CB-CE2 4.23Å; R5-F7 PolarHBondContact O-N 2.94Å; F7-L9 PolarHBondContact O-N 2.84Å | ||
| 8 | L | 45.3 | Very low | 47.1 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 104.9 | 168.5 | -78.8 | 157.6 | 0 | 0 | 0 | 108.3 | I6 L10 | I6-L8 HydrophobicContact CG2-CD1 4.3Å; I6-L8 HydrophobicContact CG2-CG 3.94Å; L8-L10 PolarHBondContact O-N 2.98Å; L8-L10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | L | 47.4 | Very low | 47.5 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 89.6 | 168.5 | -71.2 | 170.4 | 0 | 0 | 0 | 108.8 | F7 G11 | F7-L9 PolarHBondContact O-N 2.84Å; L9-G11 PolarHBondContact O-N 2.78Å | ||
| 10 | L | 51.2 | Low | 47.9 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 101.8 | 164.9 | -75.6 | 163 | 0 | 0 | 0 | 108.1 | L8 F12 | L8-L10 PolarHBondContact O-N 2.98Å; L8-L10 VanDerWaalsContact O-N 3.13Å; L10-F12 PolarHBondContact O-N 2.98Å | ||
| 11 | G | 46.5 | Very low | 47.9 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -66.4 | 114.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L9 V13 | L9-G11 PolarHBondContact O-N 2.78Å; G11-V13 PolarHBondContact O-N 2.86Å | ||
| 12 | F | 52.7 | Low | 48.2 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -74.1 | 104.9 | 167.4 | -74.7 | -86.6 | 0 | 0 | 0 | 108.7 | L10 S14 | L10-F12 PolarHBondContact O-N 2.98Å; F12-S14 PolarHBondContact O-N 3.17Å; F12-S14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | V | 45 | Very low | 48.5 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -72 | 99.6 | 165 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | G11 V15 | G11-V13 PolarHBondContact O-N 2.86Å; V13-V15 PolarHBondContact O-N 3.03Å; V13-V15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | S | 43.5 | Very low | 48.6 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -68.6 | 103.4 | 172 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | F12 I16 | F12-S14 PolarHBondContact O-N 3.17Å; F12-S14 VanDerWaalsContact O-N 3.1Å; S14-I16 PolarHBondContact O-N 3.14Å; S14-I16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | V | 49.5 | Very low | 48.9 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -71.4 | 103.4 | 167.9 | -176 | 0 | 0 | 0 | 0 | 107.4 | V13 P17 | V13-V15 PolarHBondContact O-N 3.03Å; V13-V15 VanDerWaalsContact O-N 3.1Å; V15-P17 WeakPolarHBondContact O-CD 3.36Å | ||
| 16 | I | 50.6 | Low | 49 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -71.3 | 119.3 | 173.1 | -57 | 173.8 | 0 | 0 | 0 | 107.2 | S14 V18 | S14-I16 PolarHBondContact O-N 3.14Å; S14-I16 VanDerWaalsContact O-N 3.14Å; I16-V18 PolarHBondContact O-N 3.1Å; I16-V18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | P | 51.7 | Low | 48.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 116.3 | 170 | -1.7 | 16.4 | 0 | 0 | 0 | 107.8 | V15 A19 | V15-P17 WeakPolarHBondContact O-CD 3.36Å; P17-A19 PolarHBondContact O-N 3.1Å | ||
| 18 | V | 46.6 | Very low | 48.9 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -63.7 | 107.7 | 168 | 173.8 | 0 | 0 | 0 | 0 | 107.4 | I16 S20 | I16-V18 PolarHBondContact O-N 3.1Å; I16-V18 VanDerWaalsContact O-N 3.17Å; V18-S20 VanDerWaalsContact C-N 3.32Å; V18-S20 PolarHBondContact O-N 3.24Å | ||
| 19 | A | 54.8 | Low | 49 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 90 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P17 K21 | P17-A19 PolarHBondContact O-N 3.1Å; A19-K21 PolarHBondContact O-N 3.26Å | ||
| 20 | S | 55.1 | Low | 48.9 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 101.9 | 166.9 | 171.5 | 0 | 0 | 0 | 0 | 108.4 | V18 K22 | V18-S20 VanDerWaalsContact C-N 3.32Å; V18-S20 PolarHBondContact O-N 3.24Å; S20-K22 PolarHBondContact O-N 3.18Å | ||
| 21 | K | 47.4 | Very low | 48.9 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -63.7 | 82.9 | 175.3 | -163.6 | 175.9 | -170.4 | 175.7 | 0 | 109.2 | A19 R23 | A19-K21 PolarHBondContact O-N 3.26Å; K21-R23 PolarHBondContact O-N 2.77Å | ||
| 22 | K | 48.4 | Very low | 49.4 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -58.9 | 110.2 | 164.8 | -84.7 | -175.2 | 176.8 | -179.8 | 0 | 106.2 | S20 I24 | S20-K22 PolarHBondContact O-N 3.18Å; K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 2.88Å | ||
| 23 | R | 45.3 | Very low | 49.7 | Very low | 229 Ų | 229 | 147.7 Ų | 147.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -59.1 | 97.9 | 164.3 | -83.9 | -175.6 | -173.8 | -179.3 | 2.6 | 106.1 | K21 I25 | K21-R23 PolarHBondContact O-N 2.77Å; R23-I25 PolarHBondContact O-N 2.84Å | ||
| 24 | I | 48.5 | Very low | 50.5 | Low | 158 Ų | 158 | 146.1 Ų | 146.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -65.5 | 98.7 | 159.6 | -60.9 | 175.2 | 0 | 0 | 0 | 103.7 | K22 S26 | K22-I24 VanDerWaalsContact C-N 3.25Å; K22-I24 PolarHBondContact O-N 2.88Å; I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.76Å | ||
| 25 | I | 47.7 | Very low | 52 | Low | 140 Ų | 140 | 149.7 Ų | 149.7 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -60.6 | 105 | 165.1 | -64.6 | 172.6 | 0 | 0 | 0 | 103.8 | R23 V27 | R23-I25 PolarHBondContact O-N 2.84Å; I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.31Å | ||
| 26 | S | 50.7 | Low | 53.1 | Low | 93 Ų | 93 | 149.8 Ų | 149.8 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -57.7 | 103.8 | 165.8 | -179.1 | 0 | 0 | 0 | 0 | 105.1 | I24 Q28 | I24-S26 VanDerWaalsContact C-N 3.3Å; I24-S26 PolarHBondContact O-N 2.76Å; S26-Q28 PolarHBondContact O-N 3.13Å | ||
| 27 | V | 49.3 | Very low | 54.4 | Low | 124 Ų | 124 | 150 Ų | 150 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -63.3 | 91.3 | 166.1 | 177.8 | 0 | 0 | 0 | 0 | 103.7 | I25 E29 | I25-V27 VanDerWaalsContact C-N 3.29Å; I25-V27 PolarHBondContact O-N 3.31Å; V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.44Å | ||
| 28 | Q | 49.8 | Very low | 55.7 | Low | 162 Ų | 162 | 153.8 Ų | 153.8 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -58.8 | 102.8 | 170 | -149 | 151.1 | -7.3 | 0 | 0 | 103.5 | S26 L30 | S26-Q28 PolarHBondContact O-N 3.13Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.4Å | ||
| 29 | E | 47.4 | Very low | 57 | Low | 146 Ų | 146 | 152.7 Ų | 152.7 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -44.7 | 107.2 | 170.2 | -89.6 | -164.5 | 149.1 | 0 | 0 | 105.6 | V27 R31 | V27-E29 VanDerWaalsContact C-N 3.26Å; V27-E29 PolarHBondContact O-N 3.44Å; E29-R31 HydrophobicContact CB-CG 4.32Å; E29-R31 PolarHBondContact O-N 2.88Å; E29-R31 IonicContact OE2-NE 3.99Å | ||
| 30 | L | 44.8 | Very low | 58.1 | Low | 167 Ų | 167 | 154.1 Ų | 154.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 86.2 | 160.6 | -95.4 | 95 | 0 | 0 | 0 | 104.1 | Q28 P32 | Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.4Å; L30-P32 WeakPolarHBondContact O-CD 3.06Å | ||
| 31 | R | 52 | Low | 58.9 | Low | 201 Ų | 201 | 154.1 Ų | 154.1 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 111.4 | 167.2 | -76 | -171.1 | 175.7 | -176.2 | 0.3 | 104.8 | E29 R33 | E29-R31 HydrophobicContact CB-CG 4.32Å; E29-R31 PolarHBondContact O-N 2.88Å; E29-R31 IonicContact OE2-NE 3.99Å; R31-R33 PolarHBondContact O-N 3.14Å; R31-R33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 56.8 | Low | 60.4 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -55.5 | 126.5 | 174.5 | -18.1 | 31.4 | 0 | 0 | 0 | 105.8 | L30 S34 | L30-P32 WeakPolarHBondContact O-CD 3.06Å; P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 2.77Å | ||
| 33 | R | 58.5 | Low | 61.7 | Low | 240 Ų | 240 | 144.6 Ų | 144.6 | 91% | 0.906 | 73% | 0.728 | S | S | * | * | trans | -56.7 | 102.4 | 173.8 | -107.2 | -177.6 | 175.3 | -179.9 | -0.1 | 106.6 | R31 K35 | R31-R33 PolarHBondContact O-N 3.14Å; R31-R33 VanDerWaalsContact O-N 3.08Å; R33-K35 PolarHBondContact O-N 3.08Å | ||
| 34 | S | 63.2 | Low | 63.1 | Low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -68.3 | 98.4 | 179.3 | 55 | 0 | 0 | 0 | 0 | 107.9 | P32 T36 | P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 2.77Å; S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | K | 73.6 | Confident | 64.1 | Low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | -67.1 | 112.7 | 173 | -74.7 | -177.7 | 179.9 | 176.6 | 0 | 107.1 | R33 M37 | R33-K35 PolarHBondContact O-N 3.08Å; K35-M37 PolarHBondContact O-N 2.71Å | ||
| 36 | T | 72.7 | Confident | 65 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -70.7 | 117.6 | 170.2 | -56.7 | 0 | 0 | 0 | 0 | 107.6 | S34 | S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.14Å | ||
| 37 | M | 78.9 | Confident | 65.7 | Low | 145 Ų | 145 | 130.6 Ų | 130.6 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | trans | -100.6 | 149.1 | 176 | -60.8 | -172.1 | -171.3 | 0 | 0 | 110.3 | K35 L39 | K35-M37 PolarHBondContact O-N 2.71Å; M37-L39 PolarHBondContact O-N 3.3Å | ||
| 38 | K | 78.5 | Confident | 66.3 | Low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 67% | 0.668 | S | S | * | * | trans | -81 | 105 | 170.8 | -172.8 | -176.7 | 178.7 | -172.9 | 0 | 107.7 | ||||
| 39 | L | 73.9 | Confident | 67 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 59% | 0.592 | 66% | 0.655 | S | S | * | * | trans | -89.6 | 129.9 | 172 | -69.8 | 166.6 | 0 | 0 | 0 | 109.1 | M37 L114 | M37-L39 PolarHBondContact O-N 3.3Å; L39-L114 HydrophobicContact CD1-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD2 4.06Å | ||
| 40 | V | 77.9 | Confident | 67.4 | Low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | trans | -110 | 116.9 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 105.9 | D42 | V40-D42 PolarHBondContact O-N 3.21Š| ||
| 41 | L | 72.4 | Confident | 68 | Low | 101 Ų | 101 | 125.6 Ų | 125.6 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | trans | -80.4 | 114.6 | 174.6 | -69.5 | 168.7 | 0 | 0 | 0 | 107.8 | S43 L76 L114 | L41-S43 PolarHBondContact O-N 3.38Å; L41-L76 HydrophobicContact CD1-CD2 3.63Å; L41-L76 HydrophobicContact CD2-CD2 3.79Å; L41-L76 HydrophobicContact CG-CD2 4.38Å; L41-L114 HydrophobicContact CD2-CD1 4.11Å | ||
| 42 | D | 78.4 | Confident | 68.3 | Low | 96 Ų | 96 | 120 Ų | 120 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | trans | -64.2 | 127.4 | 171.6 | -176.2 | -3 | 0 | 0 | 0 | 109.2 | V40 S44 V45 | V40-D42 PolarHBondContact O-N 3.21Å; D42-S44 PolarHBondContact O-N 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.32Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.86Å; D42-S44 PolarHBondContact OD2-OG 3.36Å; D42-V45 HydrophobicContact CB-CG2 4.22Å; D42-V45 WeakPolarHBondContact O-CB 3.48Å; D42-V45 WeakPolarHBondContact O-CG2 3.46Å; D42-V45 PolarHBondContact O-N 2.81Å; D42-V45 VanDerWaalsContact O-N 3.09Å | ||
| 43 | S | 74.7 | Confident | 68.6 | Low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -28.2 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | L41 V45 K46 | L41-S43 PolarHBondContact O-N 3.38Å; S43-V45 PolarHBondContact O-N 3.2Å; S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-K46 VanDerWaalsContact O-N 3.15Å |
| 44 | S | 75.4 | Confident | 68.8 | Low | 56 Ų | 56 | 116 Ų | 116 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -28 | 176.6 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | D42 K46 S47 Y48 | D42-S44 PolarHBondContact O-N 3.43Å; D42-S44 WeakPolarHBondContact OD1-CB 3.32Å; D42-S44 PolarHBondContact OD1-N 2.96Å; D42-S44 PolarHBondContact OD1-OG 2.86Å; D42-S44 PolarHBondContact OD2-OG 3.36Å; S44-K46 PolarHBondContact O-N 2.86Å; S44-S47 PolarHBondContact O-N 2.85Å; S44-S47 PolarHBondContact O-OG 2.89Å; S44-Y48 WeakPolarHBondContact O-CD2 3.42Å |
| 45 | V | 70.2 | Confident | 69 | Low | 68 Ų | 68 | 114.3 Ų | 114.3 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -25.1 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 112 | D42 S43 S47 Y48 L49 | D42-V45 HydrophobicContact CB-CG2 4.22Å; D42-V45 WeakPolarHBondContact O-CB 3.48Å; D42-V45 WeakPolarHBondContact O-CG2 3.46Å; D42-V45 PolarHBondContact O-N 2.81Å; D42-V45 VanDerWaalsContact O-N 3.09Å; S43-V45 PolarHBondContact O-N 3.2Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.31Å; V45-Y48 PolarHBondContact O-N 2.95Å; V45-L49 PolarHBondContact O-N 3.36Å |
| 46 | K | 66.7 | Low | 69.4 | Low | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.8 | -31.6 | 180 | -67.1 | -178.9 | -178.6 | 177.4 | 0 | 112.9 | S43 S44 L49 S50 | S43-K46 WeakPolarHBondContact O-CB 3.47Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-K46 VanDerWaalsContact O-N 3.15Å; S44-K46 PolarHBondContact O-N 2.86Å; K46-L49 PolarHBondContact O-N 2.92Å; K46-S50 PolarHBondContact O-N 2.87Å; K46-S50 PolarHBondContact O-OG 3.35Å; K46-S50 VanDerWaalsContact O-OG 3.13Å |
| 47 | S | 65.3 | Low | 70.3 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.7 | -33.9 | -179.7 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | S44 V45 L49 S50 H51 | S44-S47 PolarHBondContact O-N 2.85Å; S44-S47 PolarHBondContact O-OG 2.89Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 3.31Å; S47-L49 VanDerWaalsContact C-N 3.31Å; S47-S50 PolarHBondContact O-N 3.32Å; S47-H51 PolarHBondContact O-ND1 2.67Å |
| 48 | Y | 62.3 | Low | 71 | Confident | 177 Ų | 177 | 102.6 Ų | 102.6 | 69% | 0.694 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.9 | -31.2 | 176 | -61.6 | -86.1 | 0 | 0 | 0 | 112.2 | S44 V45 S50 | S44-Y48 WeakPolarHBondContact O-CD2 3.42Å; V45-Y48 PolarHBondContact O-N 2.95Å; Y48-S50 PolarHBondContact O-N 3.23Å |
| 49 | L | 62.5 | Low | 71.6 | Confident | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.6 | -16.8 | 175.6 | -61.2 | -179.6 | 0 | 0 | 0 | 113.3 | V45 K46 S47 P77 | V45-L49 PolarHBondContact O-N 3.36Å; K46-L49 PolarHBondContact O-N 2.92Å; S47-L49 VanDerWaalsContact C-N 3.31Å; L49-P77 HydrophobicContact CD1-CB 4.02Å; L49-P77 HydrophobicContact CD2-CB 3.64Å; L49-P77 HydrophobicContact CD2-CG 4.04Å; L49-P77 HydrophobicContact CG-CB 4.4Å |
| 50 | S | 56.8 | Low | 72.5 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 64% | 0.643 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -94.9 | -13.7 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | K46 S47 Y48 S52 | K46-S50 PolarHBondContact O-N 2.87Å; K46-S50 PolarHBondContact O-OG 3.35Å; K46-S50 VanDerWaalsContact O-OG 3.13Å; S47-S50 PolarHBondContact O-N 3.32Å; Y48-S50 PolarHBondContact O-N 3.23Å; S50-S52 PolarHBondContact O-N 2.89Å; S50-S52 VanDerWaalsContact O-N 3.08Å |
| 51 | H | 57 | Low | 73.2 | Confident | 134 Ų | 134 | 95.1 Ų | 95.1 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | -85.7 | 76.9 | 179.5 | -78.8 | 84.8 | 0 | 0 | 0 | 110.9 | S47 Y53 | S47-H51 PolarHBondContact O-ND1 2.67Å; H51-Y53 VanDerWaalsContact C-N 3.35Å | ||
| 52 | S | 59.7 | Low | 74.3 | Confident | 84 Ų | 84 | 94 Ų | 94 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | trans | -96.7 | 49.3 | 169 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | S50 A54 | S50-S52 PolarHBondContact O-N 2.89Å; S50-S52 VanDerWaalsContact O-N 3.08Å; S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.79Å; S52-A54 VanDerWaalsContact O-N 3.09Å | ||
| 53 | Y | 61.2 | Low | 75.2 | Confident | 207 Ų | 207 | 89.6 Ų | 89.6 | 81% | 0.812 | 49% | 0.487 | S | S | * | . | trans | -78.2 | 96 | 164.7 | -67.5 | -75.1 | 0 | 0 | 0 | 106.7 | H51 S55 | H51-Y53 VanDerWaalsContact C-N 3.35Å; Y53-S55 PolarHBondContact O-N 2.82Å | ||
| 54 | A | 62.8 | Low | 76.2 | Confident | 63 Ų | 63 | 86.4 Ų | 86.4 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | trans | -52.2 | 112 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S52 Y67 | S52-A54 VanDerWaalsContact C-N 3.33Å; S52-A54 PolarHBondContact O-N 2.79Å; S52-A54 VanDerWaalsContact O-N 3.09Å; A54-Y67 HydrophobicContact CB-CD2 3.69Å; A54-Y67 HydrophobicContact CB-CE2 3.83Å | ||
| 55 | S | 67.8 | Low | 77.1 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 44% | 0.441 | 45% | 0.449 | S | S | . | . | trans | -62.7 | 145.9 | -178.3 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | Y53 I57 A58 | Y53-S55 PolarHBondContact O-N 2.82Å; S55-I57 PolarHBondContact O-N 2.86Å; S55-I57 WeakPolarHBondContact OG-CG2 3.45Å; S55-A58 PolarHBondContact O-N 3.09Å | ||
| 56 | N | 82.9 | Confident | 78.3 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.3 | 177.3 | -162.1 | -14.5 | 0 | 0 | 0 | 112.1 | A58 N59 L60 | N56-A58 PolarHBondContact O-N 3.23Å; N56-A58 VanDerWaalsContact O-N 3.08Å; N56-N59 PolarHBondContact O-N 2.99Å; N56-L60 HydrophobicContact CB-CD1 4.22Å; N56-L60 WeakPolarHBondContact O-CG 3.3Å; N56-L60 PolarHBondContact O-N 3.29Å |
| 57 | I | 91.1 | Very high | 79.5 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -52.7 | -32.7 | 175.3 | -155 | 173.2 | 0 | 0 | 0 | 113.2 | S55 N59 L60 S61 W65 | S55-I57 PolarHBondContact O-N 2.86Å; S55-I57 WeakPolarHBondContact OG-CG2 3.45Å; I57-N59 VanDerWaalsContact C-N 3.25Å; I57-N59 PolarHBondContact O-N 3.47Å; I57-L60 PolarHBondContact O-N 3.19Å; I57-S61 WeakPolarHBondContact O-CB 3.23Å; I57-S61 PolarHBondContact O-N 2.74Å; I57-W65 HydrophobicContact CG2-CH2 4.13Å; I57-W65 HydrophobicContact CG2-CZ2 3.9Å |
| 58 | A | 92.9 | Very high | 80.8 | Confident | 5 Ų | 5 | 82.8 Ų | 82.8 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.2 | -32.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S55 N56 P64 W65 Y67 | S55-A58 PolarHBondContact O-N 3.09Å; N56-A58 PolarHBondContact O-N 3.23Å; N56-A58 VanDerWaalsContact O-N 3.08Å; A58-P64 WeakPolarHBondContact O-CA 3.44Å; A58-P64 WeakPolarHBondContact O-CB 3.44Å; A58-W65 HydrophobicContact CB-CD2 3.93Å; A58-W65 HydrophobicContact CB-CG 4.14Å; A58-W65 HydrophobicContact CB-CZ2 4.01Å; A58-W65 PolarHBondContact O-N 2.89Å; A58-Y67 HydrophobicContact CB-CE2 4.48Å |
| 59 | N | 91.9 | Very high | 82 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -90.5 | -26 | 177.8 | -64.8 | -20.9 | 0 | 0 | 0 | 112.6 | N56 I57 | N56-N59 PolarHBondContact O-N 2.99Å; I57-N59 VanDerWaalsContact C-N 3.25Å; I57-N59 PolarHBondContact O-N 3.47Å |
| 60 | L | 92.1 | Very high | 83.3 | Confident | 130 Ų | 130 | 76.1 Ų | 76.1 | 68% | 0.681 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -86.3 | -10.8 | -179.8 | -63 | 173.5 | 0 | 0 | 0 | 113.4 | N56 I57 | N56-L60 HydrophobicContact CB-CD1 4.22Å; N56-L60 WeakPolarHBondContact O-CG 3.3Å; N56-L60 PolarHBondContact O-N 3.29Å; I57-L60 PolarHBondContact O-N 3.19Å |
| 61 | S | 93.9 | Very high | 85 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -69 | 145.4 | 177.3 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | I57 S63 | I57-S61 WeakPolarHBondContact O-CB 3.23Å; I57-S61 PolarHBondContact O-N 2.74Å; S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 PolarHBondContact OG-N 3.22Å; S61-S63 PolarHBondContact OG-O 3.15Å; S61-S63 PolarHBondContact OG-OG 3.37Å |
| 62 | L | 95.6 | Very high | 86.8 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -65.3 | -25.4 | 167.9 | -61.8 | 179.1 | 0 | 0 | 0 | 112 | P64 C90 L91 L93 | L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 VanDerWaalsContact O-CD 3.27Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; L62-C90 CarbonylContact O-C 3.58Å; L62-C90 WeakPolarHBondContact O-CA 3.34Å; L62-L91 WeakPolarHBondContact O-CB 3.38Å; L62-L91 PolarHBondContact O-N 3.18Å; L62-L93 HydrophobicContact CD1-CD2 4.38Å; L62-L93 HydrophobicContact CD2-CD2 3.95Å |
| 63 | S | 96.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -111.9 | 81 | 169.9 | 53.1 | 0 | 0 | 0 | 0 | 107.6 | S61 C145 T146 C147 | S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 PolarHBondContact OG-N 3.22Å; S61-S63 PolarHBondContact OG-O 3.15Å; S61-S63 PolarHBondContact OG-OG 3.37Å; S63-C145 VanDerWaalsContact OG-C 3.27Å; S63-C145 PolarHBondContact OG-O 3.2Å; S63-C145 VanDerWaalsContact OG-O 3.12Å; S63-T146 WeakPolarHBondContact OG-CA 3.24Å; S63-T146 PolarHBondContact OG-N 2.84Å; S63-C147 PolarHBondContact OG-N 3.15Å |
| 64 | P | 95.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | trans | -68.7 | 155.9 | -173 | 28.9 | -36.6 | 0 | 0 | 0 | 112 | A58 L62 S86 T87 L91 | A58-P64 WeakPolarHBondContact O-CA 3.44Å; A58-P64 WeakPolarHBondContact O-CB 3.44Å; L62-P64 VanDerWaalsContact C-CD 3.49Å; L62-P64 VanDerWaalsContact O-CD 3.27Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-S86 PolarHBondContact O-N 2.82Å; P64-T87 HydrophobicContact CG-CG2 4.29Å; P64-L91 HydrophobicContact CG-CD1 3.9Å; P64-L91 HydrophobicContact CG-CG 4.27Å | ||
| 65 | W | 95.9 | Very high | 91.3 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 8% | 0.076 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.3 | 176.3 | 64.3 | 94 | 0 | 0 | 0 | 112.7 | I57 A58 Y67 A83 N84 C145 | I57-W65 HydrophobicContact CG2-CH2 4.13Å; I57-W65 HydrophobicContact CG2-CZ2 3.9Å; A58-W65 HydrophobicContact CB-CD2 3.93Å; A58-W65 HydrophobicContact CB-CG 4.14Å; A58-W65 HydrophobicContact CB-CZ2 4.01Å; A58-W65 PolarHBondContact O-N 2.89Å; W65-Y67 AromaticContact CD1-CZ 3.86Å; W65-Y67 AromaticContact NE1-CE1 3.84Å; W65-Y67 AromaticContact NE1-CE2 3.66Å; W65-Y67 AromaticContact NE1-CZ 3.27Å; W65-Y67 VanDerWaalsContact NE1-CZ 3.27Å; W65-Y67 PolarHBondContact NE1-OH 2.82Å; W65-Y67 VanDerWaalsContact NE1-OH 3.11Å; W65-A83 HydrophobicContact CB-CB 4.34Å; W65-A83 VanDerWaalsContact CD1-CB 3.42Å; W65-A83 HydrophobicContact CG-CB 3.94Å; W65-N84 CarbonylContact C-O 3.6Å; W65-N84 VanDerWaalsContact CA-O 3.24Å; W65-N84 WeakPolarHBondContact CA-O 3.09Å; W65-N84 VanDerWaalsContact CB-O 3.29Å; W65-N84 WeakPolarHBondContact CB-O 3.43Å; W65-C145 HydrophobicContact CB-CB 4.41Å; W65-C145 HydrophobicContact CE3-CB 3.89Å; W65-C145 WeakPolarHBondContact CZ3-O 3.49Å |
| 66 | T | 94.7 | Very high | 92.3 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 162.6 | 167.5 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | A83 N84 | T66-A83 CarbonylContact O-C 3.49Å; T66-A83 WeakPolarHBondContact O-CA 3.46Å; T66-N84 PolarHBondContact N-O 2.84Å; T66-N84 PolarHBondContact O-N 3.3Å |
| 67 | Y | 92.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.9 | 174 | -72.2 | -73 | 0 | 0 | 0 | 111.1 | A54 A58 W65 L81 Q82 A83 V143 | A54-Y67 HydrophobicContact CB-CD2 3.69Å; A54-Y67 HydrophobicContact CB-CE2 3.83Å; A58-Y67 HydrophobicContact CB-CE2 4.48Å; W65-Y67 AromaticContact CD1-CZ 3.86Å; W65-Y67 AromaticContact NE1-CE1 3.84Å; W65-Y67 AromaticContact NE1-CE2 3.66Å; W65-Y67 AromaticContact NE1-CZ 3.27Å; W65-Y67 VanDerWaalsContact NE1-CZ 3.27Å; W65-Y67 PolarHBondContact NE1-OH 2.82Å; W65-Y67 VanDerWaalsContact NE1-OH 3.11Å; Y67-L81 HydrophobicContact CD1-CB 3.76Å; Y67-L81 HydrophobicContact CD1-CD1 4.4Å; Y67-L81 HydrophobicContact CE1-CB 4.43Å; Y67-L81 HydrophobicContact CG-CB 4.26Å; Y67-L81 HydrophobicContact CG-CD1 4.28Å; Y67-Q82 CarbonylContact C-O 3.47Å; Y67-Q82 WeakPolarHBondContact CA-O 3.05Å; Y67-A83 HydrophobicContact CD1-CB 4.2Å; Y67-A83 HydrophobicContact CE1-CB 3.93Å; Y67-V143 PolarHBondContact OH-O 2.69Å |
| 68 | I | 91.7 | Very high | 92.7 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 46% | 0.456 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.3 | 173 | -55.1 | 175.1 | 0 | 0 | 0 | 108.1 | T70 Q82 N84 | I68-T70 PolarHBondContact O-N 2.83Å; I68-Q82 PolarHBondContact N-O 3.13Å; I68-Q82 PolarHBondContact O-N 3.47Å; I68-N84 HydrophobicContact CD1-CB 3.69Å; I68-N84 HydrophobicContact CG1-CB 4.15Å |
| 69 | D | 87.8 | Confident | 92.6 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 123 | 174.8 | -85 | -46.9 | 0 | 0 | 0 | 111.2 | K79 L81 | D69-K79 HydrophobicContact CB-CD 4.47Å; D69-K79 WeakPolarHBondContact OD1-CD 3.44Å; D69-K79 WeakPolarHBondContact OD1-CE 3.39Å; D69-K79 IonicContact OD1-NZ 2.65Å; D69-K79 PolarHBondContact OD1-NZ 2.86Å; D69-K79 VanDerWaalsContact OD2-CE 3.26Å; D69-K79 WeakPolarHBondContact OD2-CE 3.43Å; D69-K79 IonicContact OD2-NZ 2.64Å; D69-K79 PolarHBondContact OD2-NZ 3.32Å; D69-L81 WeakPolarHBondContact OD1-CD2 3.37Å |
| 70 | T | 89.9 | Confident | 92.5 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.1 | 166 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | I68 R75 K79 I80 Q82 | I68-T70 PolarHBondContact O-N 2.83Å; T70-R75 PolarHBondContact O-NH2 3.15Å; T70-K79 CarbonylContact O-C 3.48Å; T70-K79 WeakPolarHBondContact O-CA 3.49Å; T70-I80 PolarHBondContact N-O 3.41Å; T70-I80 PolarHBondContact O-N 3.27Å; T70-I80 PolarHBondContact OG1-O 3.43Å; T70-Q82 HydrophobicContact CG2-CB 4.35Å; T70-Q82 HydrophobicContact CG2-CG 3.48Å; T70-Q82 VanDerWaalsContact CG2-CG 3.48Å |
| 71 | Y | 92.5 | Very high | 92.5 | Very high | 150 Ų | 150 | 56.2 Ų | 56.2 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.5 | -179 | 179.8 | -99.7 | 0 | 0 | 0 | 111.8 | Q78 K79 | Y71-Q78 CarbonylContact C-O 3.52Å; Y71-Q78 WeakPolarHBondContact CA-O 3.46Å; Y71-Q78 HydrophobicContact CD2-CB 4.1Å; Y71-Q78 HydrophobicContact CE2-CB 3.72Å; Y71-Q78 HydrophobicContact CE2-CG 4.46Å; Y71-K79 HydrophobicContact CD2-CG 4.47Å |
| 72 | N | 93.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | trans | -133.5 | 110.3 | 171.7 | -177.4 | -21.9 | 0 | 0 | 0 | 109.7 | S74 R75 Q78 | N72-S74 PolarHBondContact O-N 2.65Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 PolarHBondContact OD1-N 2.54Å; N72-R75 HydrophobicContact CB-CB 3.82Å; N72-R75 PolarHBondContact O-N 3.3Å; N72-R75 VanDerWaalsContact O-N 3.15Å; N72-Q78 PolarHBondContact N-O 2.89Å; N72-Q78 WeakPolarHBondContact O-CA 3.33Å | ||
| 73 | S | 92.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.8 | -176.8 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | Q78 | S73-Q78 PolarHBondContact O-NE2 3.24Š|
| 74 | S | 92.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 13.8 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | N72 Y115 R116 | N72-S74 PolarHBondContact O-N 2.65Å; N72-S74 VanDerWaalsContact O-N 3.15Å; N72-S74 PolarHBondContact OD1-N 2.54Å; S74-Y115 CarbonylContact O-C 3.53Å; S74-Y115 WeakPolarHBondContact O-CA 3.07Å; S74-R116 PolarHBondContact O-N 2.85Å |
| 75 | R | 92.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.3 | 179.2 | -171.7 | -173.9 | 68.1 | -155.7 | -5.7 | 111 | T70 N72 P77 Q78 I80 V113 L114 Y115 E139 | T70-R75 PolarHBondContact O-NH2 3.15Å; N72-R75 HydrophobicContact CB-CB 3.82Å; N72-R75 PolarHBondContact O-N 3.3Å; N72-R75 VanDerWaalsContact O-N 3.15Å; R75-P77 PolarHBondContact NE-O 2.93Å; R75-P77 CarbonylContact O-C 3.42Å; R75-Q78 PolarHBondContact NH2-O 3.26Å; R75-Q78 WeakPolarHBondContact O-CA 3.44Å; R75-Q78 WeakPolarHBondContact O-CG 3.36Å; R75-Q78 PolarHBondContact O-N 3.15Å; R75-I80 VanDerWaalsContact CZ-CD1 3.47Å; R75-V113 HydrophobicContact CG-CB 3.78Å; R75-V113 HydrophobicContact CG-CG1 4.25Å; R75-V113 HydrophobicContact CG-CG2 4.13Å; R75-L114 CarbonylContact C-O 3.58Å; R75-L114 VanDerWaalsContact CA-O 3.3Å; R75-L114 WeakPolarHBondContact CA-O 3.29Å; R75-Y115 HydrophobicContact CB-CD1 4.1Å; R75-Y115 HydrophobicContact CB-CE1 4.15Å; R75-Y115 HydrophobicContact CG-CD1 4.12Å; R75-Y115 HydrophobicContact CG-CE1 3.9Å; R75-E139 WeakPolarHBondContact CD-OE1 3.37Å; R75-E139 IonicContact CZ-OE2 2.65Å; R75-E139 IonicContact NE-OE1 3.83Å; R75-E139 IonicContact NE-OE2 3.52Å; R75-E139 IonicContact NH1-OE1 3.46Å; R75-E139 PolarHBondContact NH1-OE1 2.71Å; R75-E139 IonicContact NH1-OE2 3.3Å; R75-E139 PolarHBondContact NH1-OE2 2.67Å |
| 76 | L | 90.1 | Very high | 92.5 | Very high | 58 Ų | 58 | 60 Ų | 60 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.2 | 162.5 | -171.6 | 80.1 | 0 | 0 | 0 | 109.1 | L41 V113 L114 | L41-L76 HydrophobicContact CD1-CD2 3.63Å; L41-L76 HydrophobicContact CD2-CD2 3.79Å; L41-L76 HydrophobicContact CG-CD2 4.38Å; L76-V113 WeakPolarHBondContact O-CA 3.17Å; L76-L114 HydrophobicContact CB-CB 4.18Å; L76-L114 HydrophobicContact CD2-CD1 4.17Å; L76-L114 PolarHBondContact N-O 3.46Å; L76-L114 PolarHBondContact O-N 2.86Å |
| 77 | P | 89.9 | Confident | 92.5 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | S | Bend | cis | -68.1 | 149.9 | -8.8 | 30.6 | -34.7 | 0 | 0 | 0 | 111.9 | L49 R75 I80 | L49-P77 HydrophobicContact CD1-CB 4.02Å; L49-P77 HydrophobicContact CD2-CB 3.64Å; L49-P77 HydrophobicContact CD2-CG 4.04Å; L49-P77 HydrophobicContact CG-CB 4.4Å; R75-P77 PolarHBondContact NE-O 2.93Å; R75-P77 CarbonylContact O-C 3.42Å; P77-I80 HydrophobicContact CG-CD1 4.32Å; P77-I80 HydrophobicContact CG-CG1 3.92Å |
| 78 | Q | 91.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -71.2 | -39.1 | -178.1 | -71.9 | -179.1 | -40 | 0 | 0 | 111.5 | Y71 N72 S73 R75 | Y71-Q78 CarbonylContact C-O 3.52Å; Y71-Q78 WeakPolarHBondContact CA-O 3.46Å; Y71-Q78 HydrophobicContact CD2-CB 4.1Å; Y71-Q78 HydrophobicContact CE2-CB 3.72Å; Y71-Q78 HydrophobicContact CE2-CG 4.46Å; N72-Q78 PolarHBondContact N-O 2.89Å; N72-Q78 WeakPolarHBondContact O-CA 3.33Å; S73-Q78 PolarHBondContact O-NE2 3.24Å; R75-Q78 PolarHBondContact NH2-O 3.26Å; R75-Q78 WeakPolarHBondContact O-CA 3.44Å; R75-Q78 WeakPolarHBondContact O-CG 3.36Å; R75-Q78 PolarHBondContact O-N 3.15Å |
| 79 | K | 90.8 | Very high | 92.7 | Very high | 120 Ų | 120 | 55 Ų | 55 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135 | 173.5 | -116.2 | -174.3 | -170 | -163.4 | 0 | 110.5 | D69 T70 Y71 | D69-K79 HydrophobicContact CB-CD 4.47Å; D69-K79 WeakPolarHBondContact OD1-CD 3.44Å; D69-K79 WeakPolarHBondContact OD1-CE 3.39Å; D69-K79 IonicContact OD1-NZ 2.65Å; D69-K79 PolarHBondContact OD1-NZ 2.86Å; D69-K79 VanDerWaalsContact OD2-CE 3.26Å; D69-K79 WeakPolarHBondContact OD2-CE 3.43Å; D69-K79 IonicContact OD2-NZ 2.64Å; D69-K79 PolarHBondContact OD2-NZ 3.32Å; T70-K79 CarbonylContact O-C 3.48Å; T70-K79 WeakPolarHBondContact O-CA 3.49Å; Y71-K79 HydrophobicContact CD2-CG 4.47Å |
| 80 | I | 91.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.1 | 169.1 | -68.5 | 179.5 | 0 | 0 | 0 | 107.4 | T70 R75 P77 V111 V113 I141 | T70-I80 PolarHBondContact N-O 3.41Å; T70-I80 PolarHBondContact O-N 3.27Å; T70-I80 PolarHBondContact OG1-O 3.43Å; R75-I80 VanDerWaalsContact CZ-CD1 3.47Å; P77-I80 HydrophobicContact CG-CD1 4.32Å; P77-I80 HydrophobicContact CG-CG1 3.92Å; I80-V111 HydrophobicContact CD1-CG2 4.38Å; I80-V113 HydrophobicContact CD1-CG1 4.05Å; I80-I141 HydrophobicContact CG2-CB 4.32Å; I80-I141 HydrophobicContact CG2-CD1 4.46Å; I80-I141 HydrophobicContact CG2-CG2 3.64Å |
| 81 | L | 90.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.6 | 173.3 | -61.3 | 180 | 0 | 0 | 0 | 110.2 | Y67 D69 | Y67-L81 HydrophobicContact CD1-CB 3.76Å; Y67-L81 HydrophobicContact CD1-CD1 4.4Å; Y67-L81 HydrophobicContact CE1-CB 4.43Å; Y67-L81 HydrophobicContact CG-CB 4.26Å; Y67-L81 HydrophobicContact CG-CD1 4.28Å; D69-L81 WeakPolarHBondContact OD1-CD2 3.37Å |
| 82 | Q | 94.2 | Very high | 93.3 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.3 | 171.2 | -68.8 | -80.5 | -9.4 | 0 | 0 | 108.6 | Y67 I68 T70 T142 | Y67-Q82 CarbonylContact C-O 3.47Å; Y67-Q82 WeakPolarHBondContact CA-O 3.05Å; I68-Q82 PolarHBondContact N-O 3.13Å; I68-Q82 PolarHBondContact O-N 3.47Å; T70-Q82 HydrophobicContact CG2-CB 4.35Å; T70-Q82 HydrophobicContact CG2-CG 3.48Å; T70-Q82 VanDerWaalsContact CG2-CG 3.48Å; Q82-T142 PolarHBondContact OE1-OG1 2.64Å; Q82-T142 VanDerWaalsContact OE1-OG1 3.1Å |
| 83 | A | 95.4 | Very high | 93 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 136.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | W65 T66 Y67 T142 G144 | W65-A83 HydrophobicContact CB-CB 4.34Å; W65-A83 VanDerWaalsContact CD1-CB 3.42Å; W65-A83 HydrophobicContact CG-CB 3.94Å; T66-A83 CarbonylContact O-C 3.49Å; T66-A83 WeakPolarHBondContact O-CA 3.46Å; Y67-A83 HydrophobicContact CD1-CB 4.2Å; Y67-A83 HydrophobicContact CE1-CB 3.93Å; A83-T142 HydrophobicContact CB-CG2 4.02Å; A83-T142 PolarHBondContact N-O 2.92Å; A83-T142 WeakPolarHBondContact O-CB 3.34Å; A83-T142 VanDerWaalsContact O-CG2 3.3Å; A83-T142 WeakPolarHBondContact O-CG2 3.31Å; A83-G144 VanDerWaalsContact CB-CA 3.48Å |
| 84 | N | 96.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.7 | 174.2 | -177.6 | 54.9 | 0 | 0 | 0 | 108.8 | W65 T66 I68 S86 | W65-N84 CarbonylContact C-O 3.6Å; W65-N84 VanDerWaalsContact CA-O 3.24Å; W65-N84 WeakPolarHBondContact CA-O 3.09Å; W65-N84 VanDerWaalsContact CB-O 3.29Å; W65-N84 WeakPolarHBondContact CB-O 3.43Å; T66-N84 PolarHBondContact N-O 2.84Å; T66-N84 PolarHBondContact O-N 3.3Å; I68-N84 HydrophobicContact CD1-CB 3.69Å; I68-N84 HydrophobicContact CG1-CB 4.15Å; N84-S86 PolarHBondContact O-N 2.95Å |
| 85 | C | 96.8 | Very high | 91.7 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 131.1 | -179 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | T87 C145 | C85-T87 VanDerWaalsContact C-N 3.3Å; C85-C145 WeakPolarHBondContact CA-SG 3.27Å; C85-C145 HydrophobicContact CB-CB 4.01Å; C85-C145 WeakPolarHBondContact CB-SG 3.29Å; C85-C145 PolarHBondContact N-SG 3.19Å; C85-C145 VanDerWaalsContact N-SG 3.42Å; C85-C145 WeakPolarHBondContact SG-CB 3.39Å; C85-C145 CovalentContact SG-SG 2.04Å; C85-C145 PolarHBondContact SG-SG 2.91Å |
| 86 | S | 95.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -81 | -16.3 | -175.9 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | P64 N84 | P64-S86 PolarHBondContact O-N 2.82Å; N84-S86 PolarHBondContact O-N 2.95Å |
| 87 | T | 94.6 | Very high | 91 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | trans | -133.6 | 160.6 | -176.7 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | P64 C85 G89 L91 E98 | P64-T87 HydrophobicContact CG-CG2 4.29Å; C85-T87 VanDerWaalsContact C-N 3.3Å; T87-G89 VanDerWaalsContact CB-O 3.28Å; T87-G89 WeakPolarHBondContact CB-O 3.3Å; T87-G89 PolarHBondContact OG1-O 2.83Å; T87-L91 HydrophobicContact CG2-CD2 4.29Å; T87-E98 WeakPolarHBondContact CB-OE1 3.05Å; T87-E98 HydrophobicContact CG2-CG 4.18Å; T87-E98 WeakPolarHBondContact CG2-OE1 3.44Å | ||
| 88 | S | 94.1 | Very high | 91.2 | Very high | 95 Ų | 95 | 67.4 Ų | 67.4 | 66% | 0.664 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -89.2 | -32.3 | 172.8 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | E98 A104 | S88-E98 PolarHBondContact N-OE2 2.95Å; S88-E98 PolarHBondContact OG-OE2 3.11Å; S88-A104 PolarHBondContact O-N 2.86Å |
| 89 | G | 94.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -179.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T87 E98 L102 A104 | T87-G89 VanDerWaalsContact CB-O 3.28Å; T87-G89 WeakPolarHBondContact CB-O 3.3Å; T87-G89 PolarHBondContact OG1-O 2.83Å; G89-E98 VanDerWaalsContact CA-OE2 3.29Å; G89-E98 WeakPolarHBondContact CA-OE2 3.23Å; G89-E98 PolarHBondContact N-OE2 3.26Å; G89-L102 VanDerWaalsContact CA-O 3.26Å; G89-L102 WeakPolarHBondContact CA-O 3.48Å; G89-A104 WeakPolarHBondContact O-CB 2.81Å |
| 90 | C | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 143.7 | 178.8 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | L62 E98 D99 L102 E103 C147 | L62-C90 CarbonylContact O-C 3.58Å; L62-C90 WeakPolarHBondContact O-CA 3.34Å; C90-E98 CarbonylContact O-C 3.51Å; C90-E98 VanDerWaalsContact O-CA 3.31Å; C90-E98 WeakPolarHBondContact O-CA 3.32Å; C90-D99 PolarHBondContact O-N 2.91Å; C90-L102 HydrophobicContact CB-CB 3.94Å; C90-L102 HydrophobicContact CB-CD1 4.26Å; C90-L102 VanDerWaalsContact SG-CB 3.55Å; C90-E103 PolarHBondContact SG-O 2.88Å; C90-C147 HydrophobicContact CB-CB 3.99Å; C90-C147 WeakPolarHBondContact CB-SG 3.29Å; C90-C147 WeakPolarHBondContact SG-CA 3.26Å; C90-C147 WeakPolarHBondContact SG-CB 3.28Å; C90-C147 CovalentContact SG-SG 2.02Å; C90-C147 PolarHBondContact SG-SG 3.02Å |
| 91 | L | 95.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 69 Ų | 69 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.1 | 171.8 | -60.7 | -178.2 | 0 | 0 | 0 | 110.8 | L62 P64 T87 G97 | L62-L91 WeakPolarHBondContact O-CB 3.38Å; L62-L91 PolarHBondContact O-N 3.18Å; P64-L91 HydrophobicContact CG-CD1 3.9Å; P64-L91 HydrophobicContact CG-CG 4.27Å; T87-L91 HydrophobicContact CG2-CD2 4.29Å; L91-G97 WeakPolarHBondContact CA-O 3.34Å |
| 92 | N | 90.7 | Very high | 91.1 | Very high | 35 Ų | 35 | 68.2 Ų | 68.2 | 19% | 0.187 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 157.3 | 170.5 | 65.2 | 51.2 | 0 | 0 | 0 | 111.4 | Q94 G95 R96 G97 | N92-Q94 PolarHBondContact O-N 3.08Å; N92-Q94 PolarHBondContact OD1-N 3.12Å; N92-G95 PolarHBondContact O-N 3.24Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 PolarHBondContact OD1-N 3.1Å; N92-R96 PolarHBondContact OD1-N 2.97Å; N92-G97 PolarHBondContact N-O 3.3Å; N92-G97 PolarHBondContact ND2-O 2.82Å; N92-G97 VanDerWaalsContact ND2-O 3.15Å |
| 93 | L | 87.3 | Confident | 91.2 | Very high | 150 Ų | 150 | 69.8 Ų | 69.8 | 79% | 0.785 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.6 | -178.7 | -63.2 | 178 | 0 | 0 | 0 | 113.6 | L62 G95 | L62-L93 HydrophobicContact CD1-CD2 4.38Å; L62-L93 HydrophobicContact CD2-CD2 3.95Å; L93-G95 VanDerWaalsContact C-N 3.31Å |
| 94 | Q | 85 | Confident | 91.3 | Very high | 140 Ų | 140 | 69.9 Ų | 69.9 | 65% | 0.654 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.4 | 176.9 | -61.6 | 88.7 | 14.1 | 0 | 0 | 113.2 | N92 R96 | N92-Q94 PolarHBondContact O-N 3.08Å; N92-Q94 PolarHBondContact OD1-N 3.12Å; Q94-R96 HydrophobicContact CB-CG 4Å; Q94-R96 PolarHBondContact O-N 3.03Å |
| 95 | G | 74.3 | Confident | 91.4 | Very high | 67 Ų | 67 | 70.2 Ų | 70.2 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 67.6 | 19.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N92 L93 G97 | N92-G95 PolarHBondContact O-N 3.24Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 PolarHBondContact OD1-N 3.1Å; L93-G95 VanDerWaalsContact C-N 3.31Å; G95-G97 VanDerWaalsContact C-N 3.33Å; G95-G97 PolarHBondContact O-N 2.97Å |
| 96 | R | 79.1 | Confident | 91.4 | Very high | 218 Ų | 218 | 71.8 Ų | 71.8 | 82% | 0.823 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -92 | 16.9 | -174.1 | -62.9 | -174.3 | -179.3 | 179.5 | -0.3 | 114.2 | N92 Q94 | N92-R96 PolarHBondContact OD1-N 2.97Å; Q94-R96 HydrophobicContact CB-CG 4Å; Q94-R96 PolarHBondContact O-N 3.03Å |
| 97 | G | 88.2 | Confident | 91.6 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 114.1 | -157.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L91 N92 G95 | L91-G97 WeakPolarHBondContact CA-O 3.34Å; N92-G97 PolarHBondContact N-O 3.3Å; N92-G97 PolarHBondContact ND2-O 2.82Å; N92-G97 VanDerWaalsContact ND2-O 3.15Å; G95-G97 VanDerWaalsContact C-N 3.33Å; G95-G97 PolarHBondContact O-N 2.97Å |
| 98 | E | 94 | Very high | 91.7 | Very high | 89 Ų | 89 | 75.8 Ų | 75.8 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.9 | -174.8 | -61.6 | 178.1 | -143.9 | 0 | 0 | 111.8 | T87 S88 G89 C90 | T87-E98 WeakPolarHBondContact CB-OE1 3.05Å; T87-E98 HydrophobicContact CG2-CG 4.18Å; T87-E98 WeakPolarHBondContact CG2-OE1 3.44Å; S88-E98 PolarHBondContact N-OE2 2.95Å; S88-E98 PolarHBondContact OG-OE2 3.11Å; G89-E98 VanDerWaalsContact CA-OE2 3.29Å; G89-E98 WeakPolarHBondContact CA-OE2 3.23Å; G89-E98 PolarHBondContact N-OE2 3.26Å; C90-E98 CarbonylContact O-C 3.51Å; C90-E98 VanDerWaalsContact O-CA 3.31Å; C90-E98 WeakPolarHBondContact O-CA 3.32Å |
| 99 | D | 91.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 110.3 | 165.6 | -175.3 | -17.9 | 0 | 0 | 0 | 108.8 | C90 T101 L102 | C90-D99 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact CG-OG1 3.29Å; D99-T101 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 WeakPolarHBondContact OD1-CB 3.36Å; D99-T101 PolarHBondContact OD1-N 2.94Å; D99-T101 PolarHBondContact OD1-OG1 2.02Å; D99-T101 PolarHBondContact OD2-OG1 3.26Å; D99-L102 HydrophobicContact CB-CD1 4.32Å; D99-L102 PolarHBondContact O-N 3.49Å |
| 100 | A | 85.7 | Confident | 92 | Very high | 106 Ų | 106 | 84.5 Ų | 84.5 | 88% | 0.876 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -9.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L102 | A100-L102 VanDerWaalsContact C-N 3.32Å |
| 101 | T | 90.9 | Very high | 91.9 | Very high | 94 Ų | 94 | 86 Ų | 86 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -8.1 | 176.3 | 71.4 | 0 | 0 | 0 | 0 | 113 | D99 P150 | D99-T101 VanDerWaalsContact CG-OG1 3.29Å; D99-T101 PolarHBondContact O-N 2.91Å; D99-T101 VanDerWaalsContact O-N 3.16Å; D99-T101 WeakPolarHBondContact OD1-CB 3.36Å; D99-T101 PolarHBondContact OD1-N 2.94Å; D99-T101 PolarHBondContact OD1-OG1 2.02Å; D99-T101 PolarHBondContact OD2-OG1 3.26Å; T101-P150 WeakPolarHBondContact O-CD 3.47Å |
| 102 | L | 94.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 88.8 Ų | 88.8 | 20% | 0.204 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150 | -175.5 | -57.9 | 174.8 | 0 | 0 | 0 | 111 | G89 C90 D99 A100 V148 R149 | G89-L102 VanDerWaalsContact CA-O 3.26Å; G89-L102 WeakPolarHBondContact CA-O 3.48Å; C90-L102 HydrophobicContact CB-CB 3.94Å; C90-L102 HydrophobicContact CB-CD1 4.26Å; C90-L102 VanDerWaalsContact SG-CB 3.55Å; D99-L102 HydrophobicContact CB-CD1 4.32Å; D99-L102 PolarHBondContact O-N 3.49Å; A100-L102 VanDerWaalsContact C-N 3.32Å; L102-V148 WeakPolarHBondContact CA-O 3.39Å; L102-R149 HydrophobicContact CD2-CG 3.68Å |
| 103 | E | 96.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 87.3 Ų | 87.3 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.9 | -179.6 | -61 | -174.9 | -170.4 | 0 | 0 | 111 | C90 K105 V148 | C90-E103 PolarHBondContact SG-O 2.88Å; E103-K105 HydrophobicContact CB-CG 4.46Å; E103-K105 WeakPolarHBondContact OE2-CE 3.2Å; E103-K105 IonicContact OE2-NZ 4Å; E103-K105 PolarHBondContact OE2-NZ 2.04Å; E103-V148 HydrophobicContact CB-CG2 3.97Å; E103-V148 PolarHBondContact N-O 3.34Å; E103-V148 PolarHBondContact O-N 3.27Å |
| 104 | A | 97 | Very high | 92.2 | Very high | 8 Ų | 8 | 81.2 Ų | 81.2 | 7% | 0.066 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | S88 G89 | S88-A104 PolarHBondContact O-N 2.86Å; G89-A104 WeakPolarHBondContact O-CB 2.81Å |
| 105 | K | 97.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 78 Ų | 78 | 39% | 0.391 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.1 | -179.8 | -66.7 | -60 | -173.8 | -158.4 | 0 | 112.5 | E103 C145 T146 V148 | E103-K105 HydrophobicContact CB-CG 4.46Å; E103-K105 WeakPolarHBondContact OE2-CE 3.2Å; E103-K105 IonicContact OE2-NZ 4Å; E103-K105 PolarHBondContact OE2-NZ 2.04Å; K105-C145 CarbonylContact O-C 3.51Å; K105-C145 VanDerWaalsContact O-CA 3.23Å; K105-C145 WeakPolarHBondContact O-CA 3.05Å; K105-T146 PolarHBondContact N-O 3.08Å; K105-T146 PolarHBondContact O-N 3.32Å; K105-V148 HydrophobicContact CB-CG2 4.41Å; K105-V148 HydrophobicContact CG-CG2 3.61Å |
| 106 | P | 97.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 79.6 Ų | 79.6 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.3 | 176.4 | 28 | -34 | 0 | 0 | 0 | 111.5 | T142 | P106-T142 HydrophobicContact CB-CG2 3.42Å; P106-T142 VanDerWaalsContact CB-CG2 3.42Å |
| 107 | I | 98.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.3 | 170 | -53 | 174 | 0 | 0 | 0 | 108.2 | T142 V143 G144 T146 | I107-T142 WeakPolarHBondContact O-CA 3.03Å; I107-V143 HydrophobicContact CB-CG2 3.96Å; I107-V143 HydrophobicContact CG2-CG2 3.76Å; I107-V143 PolarHBondContact O-N 3.42Å; I107-G144 PolarHBondContact N-O 3.35Å; I107-T146 HydrophobicContact CD1-CG2 4.43Å; I107-T146 HydrophobicContact CG1-CG2 3.99Å |
| 108 | K | 97.8 | Very high | 93.7 | Very high | 102 Ų | 102 | 74.6 Ų | 74.6 | 44% | 0.443 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.7 | -178.8 | -59.2 | -60.2 | -171.2 | 171.9 | 0 | 111.7 | E140 I141 T142 | K108-E140 HydrophobicContact CB-CG 4.04Å; K108-E140 HydrophobicContact CD-CG 4.19Å; K108-E140 WeakPolarHBondContact CD-OE1 3.39Å; K108-E140 HydrophobicContact CG-CG 4.41Å; K108-E140 IonicContact NZ-OE1 3.51Å; K108-I141 CarbonylContact C-O 3.6Å; K108-I141 WeakPolarHBondContact CA-O 3.48Å; K108-T142 HydrophobicContact CD-CG2 4.43Å; K108-T142 PolarHBondContact NZ-OG1 3.16Å |
| 109 | Y | 96.8 | Very high | 93 | Very high | 145 Ų | 145 | 75.6 Ų | 75.6 | 57% | 0.569 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141.2 | 176.2 | -174 | -108.9 | 0 | 0 | 0 | 110.9 | V111 E140 I141 | Y109-V111 HydrophobicContact CD1-CG1 3.49Å; Y109-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y109-V111 HydrophobicContact CE1-CG1 3.71Å; Y109-E140 WeakPolarHBondContact O-CA 2.96Å; Y109-I141 PolarHBondContact N-O 2.89Å; Y109-I141 WeakPolarHBondContact O-CG1 3.2Å; Y109-I141 PolarHBondContact O-N 3.36Å |
| 110 | Q | 97.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 81.2 Ų | 81.2 | 65% | 0.65 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.7 | 176.2 | -70.4 | -176 | 18.4 | 0 | 0 | 110 | T138 E139 | Q110-T138 HydrophobicContact CB-CG2 3.78Å; Q110-T138 HydrophobicContact CG-CG2 4.33Å; Q110-E139 WeakPolarHBondContact CA-O 2.95Å |
| 111 | V | 93.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 82.3 Ų | 82.3 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.5 | 178 | -66 | 0 | 0 | 0 | 0 | 111.6 | I80 Y109 V113 T138 E139 I141 | I80-V111 HydrophobicContact CD1-CG2 4.38Å; Y109-V111 HydrophobicContact CD1-CG1 3.49Å; Y109-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y109-V111 HydrophobicContact CE1-CG1 3.71Å; V111-V113 HydrophobicContact CG2-CG1 4.14Å; V111-T138 CarbonylContact O-C 3.56Å; V111-T138 VanDerWaalsContact O-CA 3.23Å; V111-T138 WeakPolarHBondContact O-CA 3.35Å; V111-T138 WeakPolarHBondContact O-CG2 3.26Å; V111-E139 HydrophobicContact CG2-CB 4.22Å; V111-E139 WeakPolarHBondContact CG2-O 3.17Å; V111-E139 PolarHBondContact N-O 2.78Å; V111-E139 PolarHBondContact O-N 2.82Å; V111-I141 HydrophobicContact CG1-CD1 3.51Å; V111-I141 HydrophobicContact CG1-CG1 3.84Å; V111-I141 HydrophobicContact CG2-CD1 4.42Å; V111-I141 HydrophobicContact CG2-CG1 4.35Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å |
| 112 | L | 94 | Very high | 89.6 | Confident | 121 Ų | 121 | 84.3 Ų | 84.3 | 63% | 0.634 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 136.5 | 169.8 | -66.2 | 176.4 | 0 | 0 | 0 | 110.6 | L136 G137 | L112-L136 HydrophobicContact CB-CD1 4.3Å; L112-L136 HydrophobicContact CD2-CD1 4.27Å; L112-G137 WeakPolarHBondContact CA-O 3.33Å |
| 113 | V | 93.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 84.9 Ų | 84.9 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.6 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | R75 L76 I80 V111 Y115 G137 E139 | R75-V113 HydrophobicContact CG-CB 3.78Å; R75-V113 HydrophobicContact CG-CG1 4.25Å; R75-V113 HydrophobicContact CG-CG2 4.13Å; L76-V113 WeakPolarHBondContact O-CA 3.17Å; I80-V113 HydrophobicContact CD1-CG1 4.05Å; V111-V113 HydrophobicContact CG2-CG1 4.14Å; V113-Y115 HydrophobicContact CG2-CD2 4.15Å; V113-Y115 HydrophobicContact CG2-CE1 4.19Å; V113-Y115 HydrophobicContact CG2-CE2 3.54Å; V113-G137 PolarHBondContact N-O 2.88Å; V113-G137 PolarHBondContact O-N 2.65Å; V113-E139 HydrophobicContact CG1-CB 4.46Å; V113-E139 HydrophobicContact CG1-CG 4.36Å; V113-E139 HydrophobicContact CG2-CG 3.96Å |
| 114 | L | 92.5 | Very high | 86.1 | Confident | 22 Ų | 22 | 92.5 Ų | 92.5 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.2 | 172.1 | -62 | 175.2 | 0 | 0 | 0 | 110.3 | L39 L41 R75 L76 F134 M135 L136 | L39-L114 HydrophobicContact CD1-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD2 4.06Å; L41-L114 HydrophobicContact CD2-CD1 4.11Å; R75-L114 CarbonylContact C-O 3.58Å; R75-L114 VanDerWaalsContact CA-O 3.3Å; R75-L114 WeakPolarHBondContact CA-O 3.29Å; L76-L114 HydrophobicContact CB-CB 4.18Å; L76-L114 HydrophobicContact CD2-CD1 4.17Å; L76-L114 PolarHBondContact N-O 3.46Å; L76-L114 PolarHBondContact O-N 2.86Å; L114-F134 HydrophobicContact CB-CB 4.32Å; L114-F134 HydrophobicContact CB-CD1 3.96Å; L114-F134 HydrophobicContact CB-CG 4.48Å; L114-M135 CarbonylContact C-O 3.55Å; L114-M135 WeakPolarHBondContact CA-O 3.43Å; L114-L136 HydrophobicContact CD2-CB 4.39Å; L114-L136 HydrophobicContact CD2-CD1 3.93Å |
| 115 | Y | 93.5 | Very high | 84.5 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 29% | 0.286 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.2 | 173.5 | -64.4 | -70.6 | 0 | 0 | 0 | 111.6 | S74 R75 V113 T117 F134 M135 E139 | S74-Y115 CarbonylContact O-C 3.53Å; S74-Y115 WeakPolarHBondContact O-CA 3.07Å; R75-Y115 HydrophobicContact CB-CD1 4.1Å; R75-Y115 HydrophobicContact CB-CE1 4.15Å; R75-Y115 HydrophobicContact CG-CD1 4.12Å; R75-Y115 HydrophobicContact CG-CE1 3.9Å; V113-Y115 HydrophobicContact CG2-CD2 4.15Å; V113-Y115 HydrophobicContact CG2-CE1 4.19Å; V113-Y115 HydrophobicContact CG2-CE2 3.54Å; Y115-T117 PolarHBondContact O-N 2.77Å; Y115-F134 CarbonylContact O-C 3.58Å; Y115-F134 VanDerWaalsContact O-CA 3.32Å; Y115-F134 WeakPolarHBondContact O-CA 3.42Å; Y115-M135 PolarHBondContact N-O 3.38Å; Y115-M135 PolarHBondContact O-N 3.19Å; Y115-E139 WeakPolarHBondContact CE1-OE1 3.38Å; Y115-E139 VanDerWaalsContact CZ-OE1 3.32Å; Y115-E139 WeakPolarHBondContact OH-CG 3.43Å; Y115-E139 PolarHBondContact OH-OE1 2.72Å |
| 116 | R | 90.8 | Very high | 82.6 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117 | 171.3 | -172.6 | 176.7 | 66.5 | -176.9 | -0.8 | 109.2 | S74 Y132 F134 | S74-R116 PolarHBondContact O-N 2.85Å; R116-Y132 HydrophobicContact CG-CD1 3.59Å; R116-Y132 HydrophobicContact CG-CE1 4.33Å; R116-Y132 HydrophobicContact CG-CG 4.06Å; R116-F134 HydrophobicContact CB-CD1 4.14Å; R116-F134 HydrophobicContact CB-CE1 3.77Å; R116-F134 HydrophobicContact CB-CZ 4.45Å; R116-F134 HydrophobicContact CG-CE1 4.21Å; R116-F134 HydrophobicContact CG-CZ 4.43Å |
| 117 | T | 88.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 105.8 Ų | 105.8 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.8 | 176.7 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | Y115 Y132 I133 M135 | Y115-T117 PolarHBondContact O-N 2.77Å; T117-Y132 WeakPolarHBondContact O-CA 3.37Å; T117-I133 HydrophobicContact CG2-CD1 3.83Å; T117-I133 HydrophobicContact CG2-CG1 3.37Å; T117-I133 PolarHBondContact N-O 3.38Å; T117-I133 PolarHBondContact O-N 3.09Å; T117-M135 HydrophobicContact CG2-CG 3.62Å |
| 118 | L | 85.8 | Confident | 78.9 | Confident | 84 Ų | 84 | 110.5 Ų | 110.5 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.2 | 178.3 | -76 | 171.4 | 0 | 0 | 0 | 110.3 | N130 Y132 | L118-N130 HydrophobicContact CD2-CB 4.17Å; L118-Y132 HydrophobicContact CD2-CD1 3.59Å; L118-Y132 HydrophobicContact CD2-CE1 3.21Å; L118-Y132 HydrophobicContact CD2-CE2 4.32Å; L118-Y132 HydrophobicContact CD2-CG 4.3Å; L118-Y132 HydrophobicContact CG-CD1 4.12Å; L118-Y132 HydrophobicContact CG-CE1 3.72Å |
| 119 | K | 78.5 | Confident | 77.3 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.2 | 167.1 | -164.5 | 175.6 | -169.5 | 165.4 | 0 | 109 | K121 K131 I133 | K119-K121 PolarHBondContact O-N 3.46Å; K119-K131 WeakPolarHBondContact CB-O 3.09Å; K119-K131 PolarHBondContact N-O 3Å; K119-K131 PolarHBondContact O-N 2.94Å; K119-I133 HydrophobicContact CB-CD1 4.14Å; K119-I133 HydrophobicContact CB-CG1 4.22Å; K119-I133 HydrophobicContact CB-CG2 3.88Å; K119-I133 HydrophobicContact CD-CD1 4.22Å; K119-I133 HydrophobicContact CD-CG2 4.01Å; K119-I133 HydrophobicContact CG-CD1 4.48Å |
| 120 | K | 72.8 | Confident | 76 | Confident | 173 Ų | 173 | 109.6 Ų | 109.6 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117.1 | 169.4 | -66.4 | -179.2 | -178.2 | 174.2 | 0 | 108.3 | ||
| 121 | K | 66.4 | Low | 75.1 | Confident | 128 Ų | 128 | 110 Ų | 110 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.7 | 171.4 | -159.9 | 179.7 | -178.5 | -173.7 | 0 | 108.9 | K119 N123 Q129 | K119-K121 PolarHBondContact O-N 3.46Å; K121-N123 PolarHBondContact O-N 2.92Å; K121-Q129 PolarHBondContact N-O 2.98Å; K121-Q129 PolarHBondContact O-N 3.18Å |
| 122 | N | 58.2 | Low | 74.5 | Confident | 136 Ų | 136 | 114.9 Ų | 114.9 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 107 | 166.4 | -67.5 | -17.8 | 0 | 0 | 0 | 106.9 | ||
| 123 | N | 58.6 | Low | 74.1 | Confident | 52 Ų | 52 | 111.5 Ų | 111.5 | 28% | 0.278 | 53% | 0.526 | S | S | . | . | trans | -75.3 | 145.3 | 168.5 | -79.9 | -33.2 | 0 | 0 | 0 | 109 | K121 K125 G126 Q129 | K121-N123 PolarHBondContact O-N 2.92Å; N123-K125 PolarHBondContact O-N 2.65Å; N123-G126 PolarHBondContact O-N 3.3Å; N123-Q129 PolarHBondContact ND2-OE1 3.04Å | ||
| 124 | K | 59.2 | Low | 73.9 | Confident | 231 Ų | 231 | 116.2 Ų | 116.2 | 100% | 1.004 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -10.3 | 177 | -69.1 | -175.1 | 177 | -178 | 0 | 114.3 | ||
| 125 | K | 63.2 | Low | 73.7 | Confident | 195 Ų | 195 | 119.4 Ų | 119.4 | 85% | 0.848 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 18.7 | 176.1 | -64.2 | -173.1 | 175.8 | -176.8 | 0 | 114.1 | N123 K127 | N123-K125 PolarHBondContact O-N 2.65Å; K125-K127 PolarHBondContact O-N 3.08Å |
| 126 | G | 57.9 | Low | 73.6 | Confident | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 73.1 | -12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N123 K128 | N123-G126 PolarHBondContact O-N 3.3Å; G126-K128 PolarHBondContact O-N 3.21Å |
| 127 | K | 59.2 | Low | 73.7 | Confident | 170 Ų | 170 | 117.7 Ų | 117.7 | 74% | 0.739 | 57% | 0.568 | S | S | * | * | trans | -74.4 | 114.7 | 173.6 | -76.5 | -175.5 | 176.6 | 179.2 | 0 | 111 | K125 Q129 | K125-K127 PolarHBondContact O-N 3.08Å; K127-Q129 PolarHBondContact O-N 3.34Å | ||
| 128 | K | 59.5 | Low | 74.1 | Confident | 174 Ų | 174 | 118.4 Ų | 118.4 | 76% | 0.757 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 114.5 | 168.2 | -69.8 | 175.7 | -178 | 168.2 | 0 | 108.4 | G126 | G126-K128 PolarHBondContact O-N 3.21Å |
| 129 | Q | 63.3 | Low | 74.5 | Confident | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.5 | 173.3 | -154.8 | 171.1 | 14.9 | 0 | 0 | 108.2 | K121 N123 K127 | K121-Q129 PolarHBondContact N-O 2.98Å; K121-Q129 PolarHBondContact O-N 3.18Å; N123-Q129 PolarHBondContact ND2-OE1 3.04Å; K127-Q129 PolarHBondContact O-N 3.34Å |
| 130 | N | 70.1 | Confident | 75.4 | Confident | 103 Ų | 103 | 116.5 Ų | 116.5 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.7 | 176 | -71.8 | -15.9 | 0 | 0 | 0 | 108.3 | L118 | L118-N130 HydrophobicContact CD2-CB 4.17Å |
| 131 | K | 79.1 | Confident | 76.5 | Confident | 146 Ų | 146 | 109.1 Ų | 109.1 | 64% | 0.635 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.2 | 173.1 | -174.9 | 174 | -179.3 | 175.9 | 0 | 109.3 | K119 | K119-K131 WeakPolarHBondContact CB-O 3.09Å; K119-K131 PolarHBondContact N-O 3Å; K119-K131 PolarHBondContact O-N 2.94Å |
| 132 | Y | 81.4 | Confident | 78 | Confident | 134 Ų | 134 | 103.3 Ų | 103.3 | 53% | 0.525 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.5 | 170.6 | -67.4 | -72.5 | 0 | 0 | 0 | 110.5 | R116 T117 L118 | R116-Y132 HydrophobicContact CG-CD1 3.59Å; R116-Y132 HydrophobicContact CG-CE1 4.33Å; R116-Y132 HydrophobicContact CG-CG 4.06Å; T117-Y132 WeakPolarHBondContact O-CA 3.37Å; L118-Y132 HydrophobicContact CD2-CD1 3.59Å; L118-Y132 HydrophobicContact CD2-CE1 3.21Å; L118-Y132 HydrophobicContact CD2-CE2 4.32Å; L118-Y132 HydrophobicContact CD2-CG 4.3Å; L118-Y132 HydrophobicContact CG-CD1 4.12Å; L118-Y132 HydrophobicContact CG-CE1 3.72Å |
| 133 | I | 85.5 | Confident | 79.7 | Confident | 50 Ų | 50 | 99.6 Ų | 99.6 | 26% | 0.256 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155 | 167.6 | 65.2 | 171.2 | 0 | 0 | 0 | 108.7 | T117 K119 M135 | T117-I133 HydrophobicContact CG2-CD1 3.83Å; T117-I133 HydrophobicContact CG2-CG1 3.37Å; T117-I133 PolarHBondContact N-O 3.38Å; T117-I133 PolarHBondContact O-N 3.09Å; K119-I133 HydrophobicContact CB-CD1 4.14Å; K119-I133 HydrophobicContact CB-CG1 4.22Å; K119-I133 HydrophobicContact CB-CG2 3.88Å; K119-I133 HydrophobicContact CD-CD1 4.22Å; K119-I133 HydrophobicContact CD-CG2 4.01Å; K119-I133 HydrophobicContact CG-CD1 4.48Å; I133-M135 HydrophobicContact CD1-CG 4.48Å; I133-M135 HydrophobicContact CD1-SD 3.92Å |
| 134 | F | 88 | Confident | 81.5 | Confident | 102 Ų | 102 | 97.2 Ų | 97.2 | 45% | 0.447 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.5 | 171.4 | -70.7 | -81 | 0 | 0 | 0 | 109.8 | L114 Y115 R116 | L114-F134 HydrophobicContact CB-CB 4.32Å; L114-F134 HydrophobicContact CB-CD1 3.96Å; L114-F134 HydrophobicContact CB-CG 4.48Å; Y115-F134 CarbonylContact O-C 3.58Å; Y115-F134 VanDerWaalsContact O-CA 3.32Å; Y115-F134 WeakPolarHBondContact O-CA 3.42Å; R116-F134 HydrophobicContact CB-CD1 4.14Å; R116-F134 HydrophobicContact CB-CE1 3.77Å; R116-F134 HydrophobicContact CB-CZ 4.45Å; R116-F134 HydrophobicContact CG-CE1 4.21Å; R116-F134 HydrophobicContact CG-CZ 4.43Å |
| 135 | M | 89.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 86.4 Ų | 86.4 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.6 | 173.8 | -63.9 | -61.5 | -62.9 | 0 | 0 | 108.4 | L114 Y115 T117 I133 | L114-M135 CarbonylContact C-O 3.55Å; L114-M135 WeakPolarHBondContact CA-O 3.43Å; Y115-M135 PolarHBondContact N-O 3.38Å; Y115-M135 PolarHBondContact O-N 3.19Å; T117-M135 HydrophobicContact CG2-CG 3.62Å; I133-M135 HydrophobicContact CD1-CG 4.48Å; I133-M135 HydrophobicContact CD1-SD 3.92Å |
| 136 | L | 91.1 | Very high | 85 | Confident | 119 Ų | 119 | 80.1 Ų | 80.1 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.9 | 171.7 | -174.2 | 65.8 | 0 | 0 | 0 | 109.2 | L112 L114 | L112-L136 HydrophobicContact CB-CD1 4.3Å; L112-L136 HydrophobicContact CD2-CD1 4.27Å; L114-L136 HydrophobicContact CD2-CB 4.39Å; L114-L136 HydrophobicContact CD2-CD1 3.93Å |
| 137 | G | 92.4 | Very high | 86.8 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 18% | 0.175 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L112 V113 | L112-G137 WeakPolarHBondContact CA-O 3.33Å; V113-G137 PolarHBondContact N-O 2.88Å; V113-G137 PolarHBondContact O-N 2.65Å |
| 138 | T | 95.5 | Very high | 88.5 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140 | 178.4 | -51.2 | 0 | 0 | 0 | 0 | 108.7 | Q110 V111 | Q110-T138 HydrophobicContact CB-CG2 3.78Å; Q110-T138 HydrophobicContact CG-CG2 4.33Å; V111-T138 CarbonylContact O-C 3.56Å; V111-T138 VanDerWaalsContact O-CA 3.23Å; V111-T138 WeakPolarHBondContact O-CA 3.35Å; V111-T138 WeakPolarHBondContact O-CG2 3.26Å |
| 139 | E | 95.6 | Very high | 90.2 | Very high | 35 Ų | 35 | 72.3 Ų | 72.3 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.1 | 170 | -71.7 | -172.9 | -177.9 | 0 | 0 | 110.2 | R75 Q110 V111 V113 Y115 | R75-E139 WeakPolarHBondContact CD-OE1 3.37Å; R75-E139 IonicContact CZ-OE2 2.65Å; R75-E139 IonicContact NE-OE1 3.83Å; R75-E139 IonicContact NE-OE2 3.52Å; R75-E139 IonicContact NH1-OE1 3.46Å; R75-E139 PolarHBondContact NH1-OE1 2.71Å; R75-E139 IonicContact NH1-OE2 3.3Å; R75-E139 PolarHBondContact NH1-OE2 2.67Å; Q110-E139 WeakPolarHBondContact CA-O 2.95Å; V111-E139 HydrophobicContact CG2-CB 4.22Å; V111-E139 WeakPolarHBondContact CG2-O 3.17Å; V111-E139 PolarHBondContact N-O 2.78Å; V111-E139 PolarHBondContact O-N 2.82Å; V113-E139 HydrophobicContact CG1-CB 4.46Å; V113-E139 HydrophobicContact CG1-CG 4.36Å; V113-E139 HydrophobicContact CG2-CG 3.96Å; Y115-E139 WeakPolarHBondContact CE1-OE1 3.38Å; Y115-E139 VanDerWaalsContact CZ-OE1 3.32Å; Y115-E139 WeakPolarHBondContact OH-CG 3.43Å; Y115-E139 PolarHBondContact OH-OE1 2.72Å |
| 140 | E | 96.8 | Very high | 91.5 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.8 | 167.7 | -172.3 | -176 | 95 | 0 | 0 | 109.4 | K108 Y109 | K108-E140 HydrophobicContact CB-CG 4.04Å; K108-E140 HydrophobicContact CD-CG 4.19Å; K108-E140 WeakPolarHBondContact CD-OE1 3.39Å; K108-E140 HydrophobicContact CG-CG 4.41Å; K108-E140 IonicContact NZ-OE1 3.51Å; Y109-E140 WeakPolarHBondContact O-CA 2.96Å |
| 141 | I | 95.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.3 | 177.7 | 69.1 | 161.8 | 0 | 0 | 0 | 110.4 | I80 K108 Y109 V111 V143 | I80-I141 HydrophobicContact CG2-CB 4.32Å; I80-I141 HydrophobicContact CG2-CD1 4.46Å; I80-I141 HydrophobicContact CG2-CG2 3.64Å; K108-I141 CarbonylContact C-O 3.6Å; K108-I141 WeakPolarHBondContact CA-O 3.48Å; Y109-I141 PolarHBondContact N-O 2.89Å; Y109-I141 WeakPolarHBondContact O-CG1 3.2Å; Y109-I141 PolarHBondContact O-N 3.36Å; V111-I141 HydrophobicContact CG1-CD1 3.51Å; V111-I141 HydrophobicContact CG1-CG1 3.84Å; V111-I141 HydrophobicContact CG2-CD1 4.42Å; V111-I141 HydrophobicContact CG2-CG1 4.35Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å; I141-V143 HydrophobicContact CD1-CG1 3.74Å; I141-V143 HydrophobicContact CG1-CG1 3.95Å |
| 142 | T | 96.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.6 | 172.6 | -41.7 | 0 | 0 | 0 | 0 | 108.1 | Q82 A83 P106 I107 K108 | Q82-T142 PolarHBondContact OE1-OG1 2.64Å; Q82-T142 VanDerWaalsContact OE1-OG1 3.1Å; A83-T142 HydrophobicContact CB-CG2 4.02Å; A83-T142 PolarHBondContact N-O 2.92Å; A83-T142 WeakPolarHBondContact O-CB 3.34Å; A83-T142 VanDerWaalsContact O-CG2 3.3Å; A83-T142 WeakPolarHBondContact O-CG2 3.31Å; P106-T142 HydrophobicContact CB-CG2 3.42Å; P106-T142 VanDerWaalsContact CB-CG2 3.42Å; I107-T142 WeakPolarHBondContact O-CA 3.03Å; K108-T142 HydrophobicContact CD-CG2 4.43Å; K108-T142 PolarHBondContact NZ-OG1 3.16Å |
| 143 | V | 95.2 | Very high | 93 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 35% | 0.352 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -19.4 | -174.8 | -64 | 0 | 0 | 0 | 0 | 113.2 | Y67 I107 I141 | Y67-V143 PolarHBondContact OH-O 2.69Å; I107-V143 HydrophobicContact CB-CG2 3.96Å; I107-V143 HydrophobicContact CG2-CG2 3.76Å; I107-V143 PolarHBondContact O-N 3.42Å; I141-V143 HydrophobicContact CD1-CG1 3.74Å; I141-V143 HydrophobicContact CG1-CG1 3.95Å |
| 144 | G | 96.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -169.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A83 I107 | A83-G144 VanDerWaalsContact CB-CA 3.48Å; I107-G144 PolarHBondContact N-O 3.35Å |
| 145 | C | 97.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.027 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.1 | 172.4 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | S63 W65 C85 K105 | S63-C145 VanDerWaalsContact OG-C 3.27Å; S63-C145 PolarHBondContact OG-O 3.2Å; S63-C145 VanDerWaalsContact OG-O 3.12Å; W65-C145 HydrophobicContact CB-CB 4.41Å; W65-C145 HydrophobicContact CE3-CB 3.89Å; W65-C145 WeakPolarHBondContact CZ3-O 3.49Å; C85-C145 WeakPolarHBondContact CA-SG 3.27Å; C85-C145 HydrophobicContact CB-CB 4.01Å; C85-C145 WeakPolarHBondContact CB-SG 3.29Å; C85-C145 PolarHBondContact N-SG 3.19Å; C85-C145 VanDerWaalsContact N-SG 3.42Å; C85-C145 WeakPolarHBondContact SG-CB 3.39Å; C85-C145 CovalentContact SG-SG 2.04Å; C85-C145 PolarHBondContact SG-SG 2.91Å; K105-C145 CarbonylContact O-C 3.51Å; K105-C145 VanDerWaalsContact O-CA 3.23Å; K105-C145 WeakPolarHBondContact O-CA 3.05Å |
| 146 | T | 97.5 | Very high | 91.5 | Very high | 62 Ų | 62 | 84.3 Ų | 84.3 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 155.7 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | S63 K105 I107 V148 | S63-T146 WeakPolarHBondContact OG-CA 3.24Å; S63-T146 PolarHBondContact OG-N 2.84Å; K105-T146 PolarHBondContact N-O 3.08Å; K105-T146 PolarHBondContact O-N 3.32Å; I107-T146 HydrophobicContact CD1-CG2 4.43Å; I107-T146 HydrophobicContact CG1-CG2 3.99Å; T146-V148 HydrophobicContact CG2-CG1 3.93Å |
| 147 | C | 96.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 82.6 Ų | 82.6 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.7 | 172.4 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | S63 C90 | S63-C147 PolarHBondContact OG-N 3.15Å; C90-C147 HydrophobicContact CB-CB 3.99Å; C90-C147 WeakPolarHBondContact CB-SG 3.29Å; C90-C147 WeakPolarHBondContact SG-CA 3.26Å; C90-C147 WeakPolarHBondContact SG-CB 3.28Å; C90-C147 CovalentContact SG-SG 2.02Å; C90-C147 PolarHBondContact SG-SG 3.02Å |
| 148 | V | 96.1 | Very high | 91.5 | Very high | 52 Ų | 52 | 86.1 Ų | 86.1 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155.4 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | L102 E103 K105 T146 | L102-V148 WeakPolarHBondContact CA-O 3.39Å; E103-V148 HydrophobicContact CB-CG2 3.97Å; E103-V148 PolarHBondContact N-O 3.34Å; E103-V148 PolarHBondContact O-N 3.27Å; K105-V148 HydrophobicContact CB-CG2 4.41Å; K105-V148 HydrophobicContact CG-CG2 3.61Å; T146-V148 HydrophobicContact CG2-CG1 3.93Å |
| 149 | R | 94.8 | Very high | 91.3 | Very high | 162 Ų | 162 | 86.6 Ų | 86.6 | 61% | 0.611 | 46% | 0.458 | S | S | * | . | trans | -86 | 144.1 | 165.3 | -69.6 | 177.4 | 175.4 | 146.2 | -2.7 | 109 | L102 T151 | L102-R149 HydrophobicContact CD2-CG 3.68Å; R149-T151 WeakPolarHBondContact CB-O 3.47Å; R149-T151 PolarHBondContact O-N 3.46Å | ||
| 150 | P | 90.2 | Very high | 91 | Very high | 85 Ų | 85 | 89.6 Ų | 89.6 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -66.2 | -18.8 | 175.8 | 26.8 | -34.1 | 0 | 0 | 0 | 112.4 | T101 | T101-P150 WeakPolarHBondContact O-CD 3.47Š|
| 151 | T | 90.3 | Very high | 90.6 | Very high | 99 Ų | 99 | 87.8 Ų | 87.8 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -115.7 | 140 | 176.9 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | R149 | R149-T151 WeakPolarHBondContact CB-O 3.47Å; R149-T151 PolarHBondContact O-N 3.46Å |
| 152 | V | 88.3 | Confident | 90.3 | Very high | 142 Ų | 142 | 92.5 Ų | 92.5 | 86% | 0.861 | 50% | 0.495 | S | S | * | . | trans | -75.5 | 129.8 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 153 | I | 84.2 | Confident | 89.8 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | trans | -106 | 117.7 | 172.3 | -51.1 | -168.2 | 0 | 0 | 0 | 107.8 | ||||
| 154 | P | 86 | Confident | 89.4 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 71% | 0.708 | 54% | 0.541 | S | S | * | . | trans | -59.2 | 140.6 | 173.2 | -20.5 | 32.1 | 0 | 0 | 0 | 110.6 | ||||
| 155 | Q | 77.8 | Confident | 88.8 | Confident | 197 Ų | 197 | 110 Ų | 110 | 92% | 0.921 | 59% | 0.585 | S | S | * | * | trans | -87.8 | 123.5 | 169.5 | -58.9 | -171.4 | -66.4 | 0 | 0 | 107.6 | ||||
| 156 | E | 67.1 | Low | 88 | Confident | 270 Ų | 270 | 119.6 Ų | 119.6 | 100% | 1.262 | 64% | 0.635 | S | S | * | * | trans | -79.3 | 0 | 171.1 | -67.3 | -175.7 | 166.6 | 0 | 0 | 111.6 |
Retrieved 156 of 156 residues in 27.7 ms
(Link to these results)