| 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 | 41.3 | Very low | 39.5 | Very low | 251 Ų | 251 | 139.4 Ų | 139.4 | 100% | 1.236 | 84% | 0.84 | S | S | * | * | 0 | 99.6 | 0 | -70 | 174.4 | 172.9 | 0 | 0 | 106.2 | |||||
| 2 | G | 42.3 | Very low | 39.5 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | 112.2 | 51.9 | 52.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 3 | L | 32.9 | Very low | 39.3 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -90.2 | 102.7 | 174.5 | -87.5 | 157.3 | 0 | 0 | 0 | 108.6 | T5 | L3-T5 PolarHBondContact O-N 3.38Š| ||
| 4 | R | 34.5 | Very low | 39.3 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -72.8 | 112.1 | 166.7 | -70.3 | 178.1 | -180 | -174 | -0.4 | 107.9 | ||||
| 5 | T | 39 | Very low | 39.4 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -99.3 | 129 | 160.7 | 45.2 | 0 | 0 | 0 | 0 | 108.9 | L3 | L3-T5 PolarHBondContact O-N 3.38Š| ||
| 6 | S | 35.9 | Very low | 40 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -62.1 | 127.7 | -179.1 | 39 | 0 | 0 | 0 | 0 | 111.3 | T8 | S6-T8 PolarHBondContact O-N 3.29Å; S6-T8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | V | 39.5 | Very low | 40.4 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 87% | 0.873 | 82% | 0.823 | S | S | * | * | trans | -75.3 | 95.2 | 173.4 | -170 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | T | 41.3 | Very low | 40.8 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 105.7 | 163 | 32.1 | 0 | 0 | 0 | 0 | 107.5 | S6 A10 | S6-T8 PolarHBondContact O-N 3.29Å; S6-T8 VanDerWaalsContact O-N 3.09Å; T8-A10 PolarHBondContact O-N 3.42Å; T8-A10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | G | 46.6 | Very low | 41.4 | Very low | 70 Ų | 70 | 148.3 Ų | 148.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 103.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V11 | G9-V11 PolarHBondContact O-N 2.89Š| ||
| 10 | A | 39.6 | Very low | 42.3 | Very low | 84 Ų | 84 | 147 Ų | 147 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -82 | 100.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T8 I12 | T8-A10 PolarHBondContact O-N 3.42Å; T8-A10 VanDerWaalsContact O-N 3.08Å; A10-I12 PolarHBondContact O-N 3.33Å | ||
| 11 | V | 41.5 | Very low | 43.2 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -64.6 | 91.1 | 165.8 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | G9 R13 | G9-V11 PolarHBondContact O-N 2.89Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.41Å | ||
| 12 | I | 39.7 | Very low | 44.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -63.1 | 104.2 | 164 | -63.5 | 174.3 | 0 | 0 | 0 | 104.7 | A10 L14 | A10-I12 PolarHBondContact O-N 3.33Å; I12-L14 VanDerWaalsContact C-N 3.34Å; I12-L14 PolarHBondContact O-N 3Å | ||
| 13 | R | 36.6 | Very low | 46.3 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -49.7 | 107.2 | 161.8 | -84.9 | -176.6 | -177.8 | -169.7 | 0.7 | 106 | V11 C15 | V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.41Å; R13-C15 PolarHBondContact O-N 3.07Å | ||
| 14 | L | 39.9 | Very low | 48.4 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | -59.8 | 85.1 | 154.5 | -79.5 | 158.8 | 0 | 0 | 0 | 105.3 | I12 Q16 | I12-L14 VanDerWaalsContact C-N 3.34Å; I12-L14 PolarHBondContact O-N 3Å; L14-Q16 PolarHBondContact O-N 3.47Å | ||
| 15 | C | 40.7 | Very low | 50.7 | Low | 100 Ų | 100 | 137.4 Ų | 137.4 | 68% | 0.676 | 77% | 0.771 | S | S | * | * | trans | -53.5 | 105.3 | 152.2 | -177.7 | 0 | 0 | 0 | 0 | 103.4 | R13 Q17 | R13-C15 PolarHBondContact O-N 3.07Å; C15-Q17 PolarHBondContact O-N 2.96Å | ||
| 16 | Q | 49.7 | Very low | 52.9 | Low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 84 | 170.8 | -68.9 | -177.1 | 6.2 | 0 | 0 | 105.9 | L14 G18 | L14-Q16 PolarHBondContact O-N 3.47Å; Q16-G18 VanDerWaalsContact C-N 3.34Å; Q16-G18 PolarHBondContact O-N 3.48Å | ||
| 17 | Q | 46 | Very low | 55.6 | Low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -62.9 | 105.7 | 167.1 | -72 | -173.3 | -6 | 0 | 0 | 104.9 | C15 R19 | C15-Q17 PolarHBondContact O-N 2.96Å; Q17-R19 PolarHBondContact O-N 3.18Å | ||
| 18 | G | 48.5 | Very low | 58.1 | Low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -48.3 | 133.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q16 P20 | Q16-G18 VanDerWaalsContact C-N 3.34Å; Q16-G18 PolarHBondContact O-N 3.48Å; G18-P20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | R | 50.5 | Low | 60.6 | Low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | trans | -48.9 | 122.9 | 175.5 | -76.5 | -175.8 | -82.9 | -154.4 | -5.1 | 108.4 | Q17 G21 | Q17-R19 PolarHBondContact O-N 3.18Å; R19-G21 PolarHBondContact O-N 2.88Å | ||
| 20 | P | 59.3 | Low | 62.9 | Low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -58.4 | 114.2 | 179.2 | 21.8 | -31 | 0 | 0 | 0 | 108.1 | G18 Q22 | G18-P20 VanDerWaalsContact O-N 3.14Å; P20-Q22 PolarHBondContact O-N 3.04Å; P20-Q22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | G | 62.1 | Low | 65.5 | Low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -58.9 | 113.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R19 S23 | R19-G21 PolarHBondContact O-N 2.88Å; G21-S23 VanDerWaalsContact C-N 3.33Å; G21-S23 PolarHBondContact O-N 3.47Å | ||
| 22 | Q | 67.6 | Low | 68 | Low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -71.3 | 90.2 | 176.6 | -69.2 | -178.4 | 16.3 | 0 | 0 | 108.7 | P20 | P20-Q22 PolarHBondContact O-N 3.04Å; P20-Q22 VanDerWaalsContact O-N 3.08Å | ||
| 23 | S | 80.1 | Confident | 70.7 | Confident | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | -81.6 | -25.1 | 179.7 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | G21 | G21-S23 VanDerWaalsContact C-N 3.33Å; G21-S23 PolarHBondContact O-N 3.47Å | ||
| 24 | H | 78.3 | Confident | 73.5 | Confident | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -166.9 | 166 | -177.2 | 60 | -67.1 | 0 | 0 | 0 | 112.8 | ||
| 25 | R | 82.3 | Confident | 76.2 | Confident | 169 Ų | 169 | 131.3 Ų | 131.3 | 64% | 0.638 | 70% | 0.703 | S | S | * | * | trans | -70.4 | 129.7 | 176 | -171.1 | -177.7 | 157.9 | 136.8 | 10.7 | 110.2 | F27 | R25-F27 VanDerWaalsContact CD-O 3.31Å; R25-F27 WeakPolarHBondContact CD-O 3.44Å; R25-F27 WeakPolarHBondContact CG-O 3.43Å; R25-F27 PolarHBondContact NE-O 2.91Å; R25-F27 PolarHBondContact O-N 3.25Å | ||
| 26 | K | 85.9 | Confident | 78.8 | Confident | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -62.2 | -35.1 | -175.7 | -66.1 | -175.1 | 178.9 | -177.3 | 0 | 115 | ||
| 27 | F | 92 | Very high | 80.9 | Confident | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -132.4 | 135.9 | 176.7 | -62.3 | -74.3 | 0 | 0 | 0 | 109.4 | R25 | R25-F27 VanDerWaalsContact CD-O 3.31Å; R25-F27 WeakPolarHBondContact CD-O 3.44Å; R25-F27 WeakPolarHBondContact CG-O 3.43Å; R25-F27 PolarHBondContact NE-O 2.91Å; R25-F27 PolarHBondContact O-N 3.25Å |
| 28 | S | 91.1 | Very high | 83.2 | Confident | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | trans | -62.5 | 149.3 | 174.7 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 29 | A | 94.8 | Very high | 85.4 | Confident | 44 Ų | 44 | 126.8 Ų | 126.8 | 36% | 0.364 | 68% | 0.681 | S | S | . | * | trans | -145.3 | 154.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | P | 95.8 | Very high | 87.5 | Confident | 113 Ų | 113 | 124.6 Ų | 124.6 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 150 | 173.4 | -22.7 | 33.8 | 0 | 0 | 0 | 111.8 | ||||
| 31 | R | 93.6 | Very high | 89.2 | Confident | 174 Ų | 174 | 126.8 Ų | 126.8 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | trans | -67.6 | 134.1 | 174.6 | -176.9 | -175.2 | 173.3 | 95.3 | 14.3 | 110.5 | G33 L35 | R31-G33 PolarHBondContact O-N 3.49Å; R31-L35 VanDerWaalsContact CZ-CD2 3.49Å | ||
| 32 | H | 94.6 | Very high | 90.8 | Very high | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.815 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -76.6 | 107 | 172.2 | -65.2 | -65.3 | 0 | 0 | 0 | 111.7 | ||
| 33 | G | 95.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 129.7 Ų | 129.7 | 42% | 0.423 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 83.8 | 151.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R31 | R31-G33 PolarHBondContact O-N 3.49Š|
| 34 | S | 95.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 130.6 Ų | 130.6 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | trans | -78.5 | 138.6 | 179.2 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | G36 | S34-G36 VanDerWaalsContact C-N 3.33Å; S34-G36 PolarHBondContact OG-N 3.06Å; S34-G36 VanDerWaalsContact OG-N 3.14Å | ||
| 35 | L | 95.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 130.5 Ų | 130.5 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -75.1 | -19.8 | 173 | -77 | 174.7 | 0 | 0 | 0 | 113.2 | R31 F37 L38 | R31-L35 VanDerWaalsContact CZ-CD2 3.49Å; L35-F37 PolarHBondContact O-N 2.96Å; L35-L38 HydrophobicContact CD2-CD2 4.37Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 2.71Å; L35-L38 VanDerWaalsContact O-N 3.12Å |
| 36 | G | 95.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -67.6 | -18.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S34 | S34-G36 VanDerWaalsContact C-N 3.33Å; S34-G36 PolarHBondContact OG-N 3.06Å; S34-G36 VanDerWaalsContact OG-N 3.14Å |
| 37 | F | 94.4 | Very high | 94.1 | Very high | 159 Ų | 159 | 127 Ų | 127 | 70% | 0.697 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -98.5 | 12.6 | 175.9 | -55.3 | -70.7 | 0 | 0 | 0 | 113.1 | L35 P39 | L35-F37 PolarHBondContact O-N 2.96Å; F37-P39 CarbonylContact O-C 3.59Å |
| 38 | L | 94.1 | Very high | 94.1 | Very high | 116 Ų | 116 | 122.9 Ų | 122.9 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | trans | -82.9 | 135.6 | 168.8 | -149.7 | 70.2 | 0 | 0 | 0 | 108.3 | L35 | L35-L38 HydrophobicContact CD2-CD2 4.37Å; L35-L38 VanDerWaalsContact O-CB 3.28Å; L35-L38 WeakPolarHBondContact O-CB 3.45Å; L35-L38 PolarHBondContact O-N 2.71Å; L35-L38 VanDerWaalsContact O-N 3.12Å | ||
| 39 | P | 94.8 | Very high | 94.2 | Very high | 86 Ų | 86 | 123.4 Ų | 123.4 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | S | Bend | cis | -83 | 136.5 | 1.2 | 31.6 | -33.9 | 0 | 0 | 0 | 114.2 | F37 K41 | F37-P39 CarbonylContact O-C 3.59Å; P39-K41 HydrophobicContact CB-CD 4.44Å; P39-K41 HydrophobicContact CB-CG 4.41Å; P39-K41 HydrophobicContact CG-CD 4.11Å; P39-K41 HydrophobicContact CG-CG 4.26Å; P39-K41 PolarHBondContact O-N 3.44Å |
| 40 | R | 93.6 | Very high | 94.1 | Very high | 191 Ų | 191 | 124.7 Ų | 124.7 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -79.5 | 64.2 | 175.5 | -64 | -177.5 | -177.9 | 178.9 | 1.5 | 111.7 | ||||
| 41 | K | 96.5 | Very high | 94 | Very high | 167 Ų | 167 | 128.2 Ų | 128.2 | 73% | 0.726 | 65% | 0.651 | S | S | * | * | trans | -110.1 | 162.3 | 179.2 | 66.4 | -178.7 | -179.2 | -177.8 | 0 | 111.8 | P39 S43 | P39-K41 HydrophobicContact CB-CD 4.44Å; P39-K41 HydrophobicContact CB-CG 4.41Å; P39-K41 HydrophobicContact CG-CD 4.11Å; P39-K41 HydrophobicContact CG-CG 4.26Å; P39-K41 PolarHBondContact O-N 3.44Å; K41-S43 PolarHBondContact O-N 3.34Å | ||
| 42 | R | 96.1 | Very high | 93.9 | Very high | 236 Ų | 236 | 124.9 Ų | 124.9 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | trans | -58 | 138.5 | 173.3 | -175.7 | 174.7 | -83.4 | 176.6 | -4.7 | 109.9 | ||||
| 43 | S | 93.5 | Very high | 93.9 | Very high | 89 Ų | 89 | 119.9 Ų | 119.9 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | trans | -61 | 143.4 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | K41 R45 | K41-S43 PolarHBondContact O-N 3.34Å; S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact OG-O 3.16Å; S43-R45 VanDerWaalsContact OG-O 3.05Å | ||
| 44 | S | 93.3 | Very high | 93.9 | Very high | 123 Ų | 123 | 122 Ų | 122 | 86% | 0.86 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -75.4 | -19.7 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 45 | R | 93 | Very high | 93.6 | Very high | 145 Ų | 145 | 128.3 Ų | 128.3 | 55% | 0.547 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -122.2 | 142.2 | -179.6 | -62.3 | -179.5 | -178.8 | -157.7 | -4.6 | 109.1 | S43 R47 | S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact OG-O 3.16Å; S43-R45 VanDerWaalsContact OG-O 3.05Å; R45-R47 VanDerWaalsContact C-N 3.29Å; R45-R47 WeakPolarHBondContact CB-O 3.38Å |
| 46 | H | 91.4 | Very high | 93.4 | Very high | 191 Ų | 191 | 130.1 Ų | 130.1 | 88% | 0.884 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -65.3 | -36 | 172.2 | -173.4 | -89.5 | 0 | 0 | 0 | 111.8 | ||
| 47 | R | 91.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 130.5 Ų | 130.5 | 37% | 0.37 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -96.7 | 141.3 | 177.5 | -55.9 | -179.7 | -169.9 | -147.4 | -3.5 | 110.2 | R45 Y70 R138 | R45-R47 VanDerWaalsContact C-N 3.29Å; R45-R47 WeakPolarHBondContact CB-O 3.38Å; R47-Y70 PolarHBondContact NH2-OH 3.3Å; R47-R138 VanDerWaalsContact NH1-NH1 3.17Å |
| 48 | G | 91.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 49 | K | 93.3 | Very high | 92.9 | Very high | 135 Ų | 135 | 127.9 Ų | 127.9 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 121.5 | 174.6 | -176 | -167 | 179.3 | -176 | 0 | 108.8 | K51 | K49-K51 PolarHBondContact O-N 2.67Š|
| 50 | V | 93.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 129.2 Ų | 129.2 | 44% | 0.436 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 119.3 | 168.4 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | S52 F53 | V50-S52 VanDerWaalsContact CG1-O 3.23Å; V50-S52 WeakPolarHBondContact CG1-O 3.21Å; V50-F53 HydrophobicContact CB-CE1 4.05Å; V50-F53 HydrophobicContact CB-CE2 4.22Å; V50-F53 HydrophobicContact CB-CZ 3.8Å; V50-F53 HydrophobicContact CG1-CD1 3.87Å; V50-F53 HydrophobicContact CG1-CD2 4.15Å; V50-F53 HydrophobicContact CG1-CE1 3.73Å; V50-F53 HydrophobicContact CG1-CE2 4.01Å; V50-F53 HydrophobicContact CG1-CG 4.1Å; V50-F53 HydrophobicContact CG1-CZ 3.8Å; V50-F53 HydrophobicContact CG2-CE1 4.41Å; V50-F53 HydrophobicContact CG2-CZ 4.48Å |
| 51 | K | 92.4 | Very high | 92.7 | Very high | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | trans | -89.3 | -37.3 | 177.9 | -66 | -175.7 | -178 | 176.9 | 0 | 111.8 | K49 | K49-K51 PolarHBondContact O-N 2.67Š| ||
| 52 | S | 93.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | -129.3 | 125.1 | -178.1 | -52.5 | 0 | 0 | 0 | 0 | 108.4 | V50 | V50-S52 VanDerWaalsContact CG1-O 3.23Å; V50-S52 WeakPolarHBondContact CG1-O 3.21Å | ||
| 53 | F | 94.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 118.5 Ų | 118.5 | 32% | 0.316 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -92.1 | 161 | 171.6 | -73 | -81.9 | 0 | 0 | 0 | 109.2 | V50 T65 A66 | V50-F53 HydrophobicContact CB-CE1 4.05Å; V50-F53 HydrophobicContact CB-CE2 4.22Å; V50-F53 HydrophobicContact CB-CZ 3.8Å; V50-F53 HydrophobicContact CG1-CD1 3.87Å; V50-F53 HydrophobicContact CG1-CD2 4.15Å; V50-F53 HydrophobicContact CG1-CE1 3.73Å; V50-F53 HydrophobicContact CG1-CE2 4.01Å; V50-F53 HydrophobicContact CG1-CG 4.1Å; V50-F53 HydrophobicContact CG1-CZ 3.8Å; V50-F53 HydrophobicContact CG2-CE1 4.41Å; V50-F53 HydrophobicContact CG2-CZ 4.48Å; F53-T65 VanDerWaalsContact CD1-OG1 3.28Å; F53-T65 WeakPolarHBondContact CD1-OG1 3.37Å; F53-A66 HydrophobicContact CE1-CB 3.99Å |
| 54 | P | 93.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 120.3 Ų | 120.3 | 56% | 0.558 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 151.2 | 169 | 25.8 | -35 | 0 | 0 | 0 | 110.4 | T65 | P54-T65 HydrophobicContact CG-CG2 3.64Š|
| 55 | K | 90.7 | Very high | 92.4 | Very high | 197 Ų | 197 | 118 Ų | 118 | 86% | 0.857 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 145 | 173.6 | -67.2 | -174.4 | 179.6 | -177.8 | 0 | 109.1 | ||
| 56 | D | 90 | Very high | 92.4 | Very high | 135 Ų | 135 | 113.6 Ų | 113.6 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 135.4 | -178 | -162.7 | 13.7 | 0 | 0 | 0 | 110.6 | ||
| 57 | D | 91.1 | Very high | 92.6 | Very high | 74 Ų | 74 | 109.8 Ų | 109.8 | 40% | 0.396 | 62% | 0.616 | S | S | . | * | trans | -119.2 | 104 | 178.6 | -69.4 | -29.9 | 0 | 0 | 0 | 108.1 | S59 K60 | D57-S59 PolarHBondContact O-N 2.93Å; D57-K60 HydrophobicContact CB-CD 4.05Å; D57-K60 HydrophobicContact CB-CG 4.29Å; D57-K60 PolarHBondContact O-N 3.05Å; D57-K60 WeakPolarHBondContact OD2-CE 3.27Å; D57-K60 IonicContact OD2-NZ 2.71Å; D57-K60 PolarHBondContact OD2-NZ 3.04Å | ||
| 58 | A | 88.9 | Confident | 92.7 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 87% | 0.868 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -13.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K60 | A58-K60 VanDerWaalsContact C-N 3.32Š|
| 59 | S | 94.2 | Very high | 92.8 | Very high | 114 Ų | 114 | 105.8 Ų | 105.8 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -21.1 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | D57 | D57-S59 PolarHBondContact O-N 2.93Š|
| 60 | K | 91.6 | Very high | 92.9 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -88.9 | 152.8 | -178.1 | -68 | 176.2 | -174.9 | 156.5 | 0 | 110.6 | D57 A58 | D57-K60 HydrophobicContact CB-CD 4.05Å; D57-K60 HydrophobicContact CB-CG 4.29Å; D57-K60 PolarHBondContact O-N 3.05Å; D57-K60 WeakPolarHBondContact OD2-CE 3.27Å; D57-K60 IonicContact OD2-NZ 2.71Å; D57-K60 PolarHBondContact OD2-NZ 3.04Å; A58-K60 VanDerWaalsContact C-N 3.32Å |
| 61 | P | 93.8 | Very high | 93 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 71% | 0.708 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 156.9 | 171.8 | 28.3 | -35.1 | 0 | 0 | 0 | 111.1 | H63 | P61-H63 PolarHBondContact O-N 2.9Å; P61-H63 PolarHBondContact O-ND1 3.46Å |
| 62 | V | 93.1 | Very high | 93.2 | Very high | 157 Ų | 157 | 101.5 Ų | 101.5 | 95% | 0.952 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.3 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 63 | H | 92.6 | Very high | 93.4 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | trans | -136.8 | 153.8 | -179.8 | 60.4 | -80 | 0 | 0 | 0 | 110.9 | P61 | P61-H63 PolarHBondContact O-N 2.9Å; P61-H63 PolarHBondContact O-ND1 3.46Å | ||
| 64 | L | 93.2 | Very high | 93.6 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | trans | -84.9 | 135 | 173.1 | -63.9 | 177.5 | 0 | 0 | 0 | 109.6 | I183 | L64-I183 HydrophobicContact CD2-CD1 3.8Š| ||
| 65 | T | 93.7 | Very high | 93.8 | Very high | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | trans | -95.7 | -9.3 | -174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | F53 P54 | F53-T65 VanDerWaalsContact CD1-OG1 3.28Å; F53-T65 WeakPolarHBondContact CD1-OG1 3.37Å; P54-T65 HydrophobicContact CG-CG2 3.64Å | ||
| 66 | A | 93.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 95.8 Ų | 95.8 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | trans | -151 | 148 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F53 | F53-A66 HydrophobicContact CE1-CB 3.99Š| ||
| 67 | F | 94.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 92.7 Ų | 92.7 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | trans | -134.5 | 153.6 | 176.5 | -158.5 | -91.7 | 0 | 0 | 0 | 110.3 | T102 P103 M105 | F67-T102 HydrophobicContact CD1-CG2 3.88Å; F67-T102 VanDerWaalsContact CE1-CB 3.43Å; F67-T102 HydrophobicContact CE1-CG2 3.86Å; F67-P103 WeakPolarHBondContact CZ-O 3.47Å; F67-M105 HydrophobicContact CD1-SD 4.16Å; F67-M105 HydrophobicContact CD2-CG 4.33Å; F67-M105 HydrophobicContact CD2-SD 3.71Å; F67-M105 HydrophobicContact CE1-CG 4.14Å; F67-M105 HydrophobicContact CE1-SD 4.13Å; F67-M105 HydrophobicContact CE2-CB 4.18Å; F67-M105 HydrophobicContact CE2-CG 3.73Å; F67-M105 HydrophobicContact CE2-SD 3.74Å; F67-M105 HydrophobicContact CG-SD 3.94Å; F67-M105 HydrophobicContact CZ-CB 4.38Å; F67-M105 HydrophobicContact CZ-CG 3.63Å; F67-M105 HydrophobicContact CZ-SD 3.96Å | ||
| 68 | L | 93.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 93.2 Ų | 93.2 | 30% | 0.298 | 54% | 0.537 | S | S | . | . | trans | -105.3 | 119.7 | 174.7 | -75 | 170.9 | 0 | 0 | 0 | 109.5 | M105 T187 | L68-M105 HydrophobicContact CB-CE 4.18Å; L68-M105 HydrophobicContact CB-SD 3.86Å; L68-M105 HydrophobicContact CD1-CE 3.86Å; L68-M105 HydrophobicContact CG-CE 4.1Å; L68-M105 HydrophobicContact CG-SD 4.36Å; L68-M105 PolarHBondContact N-SD 3.17Å; L68-T187 HydrophobicContact CB-CG2 3.61Å; L68-T187 HydrophobicContact CD1-CG2 4.04Å; L68-T187 HydrophobicContact CG-CG2 4.5Å | ||
| 69 | G | 94.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 92.1 Ų | 92.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | trans | -121.9 | 161.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E101 | G69-E101 CarbonylContact C-O 3.54Å; G69-E101 VanDerWaalsContact CA-O 3.26Å; G69-E101 WeakPolarHBondContact CA-O 3.35Å | ||
| 70 | Y | 94.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 92.6 Ų | 92.6 | 37% | 0.365 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.1 | 175.1 | -61.3 | -81.7 | 0 | 0 | 0 | 109 | R47 A72 V100 E101 P103 T187 | R47-Y70 PolarHBondContact NH2-OH 3.3Å; Y70-A72 PolarHBondContact O-N 3.09Å; Y70-V100 CarbonylContact O-C 3.55Å; Y70-V100 WeakPolarHBondContact O-CA 3.41Å; Y70-E101 PolarHBondContact N-O 2.82Å; Y70-E101 PolarHBondContact O-N 2.98Å; Y70-P103 HydrophobicContact CD2-CG 4.15Å; Y70-P103 HydrophobicContact CE2-CG 4.07Å; Y70-T187 HydrophobicContact CE2-CG2 4.01Å; Y70-T187 PolarHBondContact OH-OG1 3.09Å |
| 71 | K | 96.4 | Very high | 94.8 | Very high | 142 Ų | 142 | 87.3 Ų | 87.3 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 114.6 | 179.1 | -177.1 | 175.3 | 178.1 | 173.2 | 0 | 108.9 | M74 | K71-M74 PolarHBondContact NZ-SD 2.98Å; K71-M74 VanDerWaalsContact NZ-SD 3.44Å |
| 72 | A | 96.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 88.3 Ų | 88.3 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y70 I99 E101 | Y70-A72 PolarHBondContact O-N 3.09Å; A72-I99 HydrophobicContact CB-CG2 4.19Å; A72-I99 PolarHBondContact N-O 2.88Å; A72-E101 HydrophobicContact CB-CB 4.48Å |
| 73 | G | 97.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 87.8 Ų | 87.8 | 27% | 0.268 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -167.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | I99 | G73-I99 PolarHBondContact N-O 3.01Å; G73-I99 PolarHBondContact O-N 2.84Å |
| 74 | M | 98.1 | Very high | 94.6 | Very high | 110 Ų | 110 | 88.4 Ų | 88.4 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.9 | 172.4 | -71.7 | -173.7 | 64.3 | 0 | 0 | 109.5 | K71 V97 T98 | K71-M74 PolarHBondContact NZ-SD 2.98Å; K71-M74 VanDerWaalsContact NZ-SD 3.44Å; M74-V97 VanDerWaalsContact CA-O 3.27Å; M74-V97 WeakPolarHBondContact CA-O 3.39Å; M74-T98 HydrophobicContact CE-CG2 3.94Å; M74-T98 HydrophobicContact CG-CG2 3.41Å; M74-T98 VanDerWaalsContact CG-CG2 3.41Å; M74-T98 HydrophobicContact SD-CG2 3.63Å |
| 75 | T | 96.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 86.7 Ų | 86.7 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 179.3 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 108.8 | V97 I99 | T75-V97 PolarHBondContact N-O 3.23Å; T75-V97 WeakPolarHBondContact O-CG2 3.45Å; T75-V97 PolarHBondContact O-N 3.29Å; T75-V97 VanDerWaalsContact O-O 3.1Å; T75-V97 WeakPolarHBondContact OG1-CG2 3.41Å; T75-I99 HydrophobicContact CG2-CD1 3.68Å |
| 76 | H | 97.3 | Very high | 94.4 | Very high | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.616 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145 | 170.4 | 58.3 | -86.9 | 0 | 0 | 0 | 109.5 | V94 E95 | H76-V94 HydrophobicContact CB-CG1 3.64Å; H76-E95 CarbonylContact C-O 3.41Å; H76-E95 VanDerWaalsContact CA-O 3.25Å; H76-E95 WeakPolarHBondContact CA-O 3.46Å |
| 77 | I | 96.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 92 Ų | 92 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 149.3 | 170.5 | 61.8 | 172.1 | 0 | 0 | 0 | 109.1 | V94 E95 V97 | I77-V94 WeakPolarHBondContact O-CA 3.26Å; I77-E95 HydrophobicContact CG1-CB 4.36Å; I77-E95 PolarHBondContact N-O 3.21Å; I77-E95 PolarHBondContact O-N 2.94Å; I77-V97 HydrophobicContact CD1-CG1 3.72Å; I77-V97 HydrophobicContact CG1-CG1 3.71Å; I77-V97 HydrophobicContact CG2-CG1 4.23Å; I77-V97 HydrophobicContact CG2-CG2 3.78Å |
| 78 | V | 96.1 | Very high | 94 | Very high | 84 Ų | 84 | 90 Ų | 90 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.7 | 165.4 | -175.9 | 0 | 0 | 0 | 0 | 106.8 | E92 V94 | V78-E92 HydrophobicContact CG1-CB 3.76Å; V78-E92 HydrophobicContact CG1-CG 4.07Å; V78-V94 HydrophobicContact CG2-CG2 4.29Å |
| 79 | R | 94.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 89.4 Ų | 89.4 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.6 | 170.8 | 72.4 | 178.1 | -173.7 | 86.5 | 7.7 | 110.9 | V93 E95 | R79-V93 PolarHBondContact N-O 2.95Å; R79-V93 VanDerWaalsContact N-O 3.13Å; R79-V93 PolarHBondContact O-N 2.8Å; R79-E95 IonicContact CZ-OE1 3.39Å; R79-E95 IonicContact CZ-OE2 3.46Å; R79-E95 IonicContact NE-OE1 3.34Å; R79-E95 PolarHBondContact NE-OE1 2.71Å; R79-E95 IonicContact NE-OE2 2.72Å; R79-E95 PolarHBondContact NE-OE2 2.98Å; R79-E95 IonicContact NH2-OE1 2.7Å; R79-E95 PolarHBondContact NH2-OE1 3.15Å; R79-E95 IonicContact NH2-OE2 3.35Å; R79-E95 PolarHBondContact NH2-OE2 3.15Å |
| 80 | E | 92.8 | Very high | 93.7 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133.8 | 168 | -166.4 | 179.5 | 170.9 | 0 | 0 | 109.6 | K90 | E80-K90 VanDerWaalsContact OE1-CA 3.27Å; E80-K90 WeakPolarHBondContact OE1-CA 3.5Å; E80-K90 WeakPolarHBondContact OE1-CB 3.48Å |
| 81 | V | 91.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 96.4 Ų | 96.4 | 2% | 0.024 | 51% | 0.512 | C | S | . | . | trans | -92.6 | 115.5 | 178.7 | 179 | 0 | 0 | 0 | 0 | 110.1 | R83 V88 N89 K90 K91 V93 | V81-R83 HydrophobicContact CG1-CB 3.99Å; V81-R83 HydrophobicContact CG1-CG 3.8Å; V81-V88 HydrophobicContact CG1-CG2 4.28Å; V81-N89 CarbonylContact O-C 3.52Å; V81-N89 WeakPolarHBondContact O-CA 3.47Å; V81-N89 PolarHBondContact O-OD1 3.23Å; V81-K90 PolarHBondContact O-N 2.85Å; V81-K91 PolarHBondContact N-O 3.26Å; V81-K91 VanDerWaalsContact N-O 3.12Å; V81-V93 HydrophobicContact CG2-CB 3.8Å; V81-V93 HydrophobicContact CG2-CG2 3.54Å | ||
| 82 | D | 91.9 | Very high | 93.4 | Very high | 131 Ų | 131 | 97.2 Ų | 97.2 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -99.1 | 90.8 | 168.8 | -170.8 | 16.5 | 0 | 0 | 0 | 110.3 | ||||
| 83 | R | 91.4 | Very high | 93.2 | Very high | 145 Ų | 145 | 96 Ų | 96 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | trans | -142.7 | 93.5 | 177.4 | -70.3 | -174.6 | -176.1 | 166.3 | 5 | 108.8 | V81 G85 S86 N89 | V81-R83 HydrophobicContact CG1-CB 3.99Å; V81-R83 HydrophobicContact CG1-CG 3.8Å; R83-G85 PolarHBondContact O-N 2.94Å; R83-S86 WeakPolarHBondContact O-CB 3.28Å; R83-S86 PolarHBondContact O-N 3.01Å; R83-S86 PolarHBondContact O-OG 2.84Å; R83-N89 PolarHBondContact N-OD1 2.8Å; R83-N89 WeakPolarHBondContact O-CB 3.07Å; R83-N89 PolarHBondContact O-OD1 3.5Å | ||
| 84 | P | 91.5 | Very high | 93.1 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 75% | 0.747 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 138.6 | -178.9 | 24.6 | -33 | 0 | 0 | 0 | 110.5 | ||
| 85 | G | 91.4 | Very high | 92.9 | Very high | 91 Ų | 91 | 96.9 Ų | 96.9 | 94% | 0.938 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -7.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | R83 | R83-G85 PolarHBondContact O-N 2.94Š|
| 86 | S | 92.1 | Very high | 92.9 | Very high | 40 Ų | 40 | 97.6 Ų | 97.6 | 28% | 0.28 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -90.9 | 145.5 | 173.8 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | R83 V88 N89 | R83-S86 WeakPolarHBondContact O-CB 3.28Å; R83-S86 PolarHBondContact O-N 3.01Å; R83-S86 PolarHBondContact O-OG 2.84Å; S86-V88 PolarHBondContact O-N 3.09Å; S86-V88 VanDerWaalsContact O-N 3.14Å; S86-N89 WeakPolarHBondContact O-CB 3.47Å; S86-N89 PolarHBondContact O-N 3.15Å; S86-N89 VanDerWaalsContact O-N 3.16Å; S86-N89 PolarHBondContact OG-N 3.38Å |
| 87 | K | 90.1 | Very high | 92.9 | Very high | 200 Ų | 200 | 93.3 Ų | 93.3 | 87% | 0.87 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -14.9 | 174.6 | -68.2 | -175.3 | 178.5 | -178 | 0 | 113.9 | K91 | K87-K91 PolarHBondContact O-NZ 2.69Š|
| 88 | V | 90.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 93.7 Ų | 93.7 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 6.6 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | V81 S86 K90 K91 V93 | V81-V88 HydrophobicContact CG1-CG2 4.28Å; S86-V88 PolarHBondContact O-N 3.09Å; S86-V88 VanDerWaalsContact O-N 3.14Å; V88-K90 PolarHBondContact O-N 2.92Å; V88-K91 PolarHBondContact O-N 3.35Å; V88-V93 HydrophobicContact CB-CG2 4.37Å |
| 89 | N | 90.8 | Very high | 93 | Very high | 43 Ų | 43 | 93.6 Ų | 93.6 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 135.6 | 177.7 | -163.8 | 39.9 | 0 | 0 | 0 | 110.9 | V81 R83 S86 K91 | V81-N89 CarbonylContact O-C 3.52Å; V81-N89 WeakPolarHBondContact O-CA 3.47Å; V81-N89 PolarHBondContact O-OD1 3.23Å; R83-N89 PolarHBondContact N-OD1 2.8Å; R83-N89 WeakPolarHBondContact O-CB 3.07Å; R83-N89 PolarHBondContact O-OD1 3.5Å; S86-N89 WeakPolarHBondContact O-CB 3.47Å; S86-N89 PolarHBondContact O-N 3.15Å; S86-N89 VanDerWaalsContact O-N 3.16Å; S86-N89 PolarHBondContact OG-N 3.38Å; N89-K91 PolarHBondContact O-N 3.41Å |
| 90 | K | 90.4 | Very high | 93.1 | Very high | 151 Ų | 151 | 93.1 Ų | 93.1 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.2 | -177.2 | -54.5 | -176 | 178.5 | -174.5 | 0 | 114.5 | E80 V81 V88 | E80-K90 VanDerWaalsContact OE1-CA 3.27Å; E80-K90 WeakPolarHBondContact OE1-CA 3.5Å; E80-K90 WeakPolarHBondContact OE1-CB 3.48Å; V81-K90 PolarHBondContact O-N 2.85Å; V88-K90 PolarHBondContact O-N 2.92Å |
| 91 | K | 91.4 | Very high | 93.3 | Very high | 126 Ų | 126 | 92.9 Ų | 92.9 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -118.4 | 150.5 | 172.8 | -63.5 | -176.6 | -177.3 | 169.6 | 0 | 109.9 | V81 K87 V88 N89 | V81-K91 PolarHBondContact N-O 3.26Å; V81-K91 VanDerWaalsContact N-O 3.12Å; K87-K91 PolarHBondContact O-NZ 2.69Å; V88-K91 PolarHBondContact O-N 3.35Å; N89-K91 PolarHBondContact O-N 3.41Å |
| 92 | E | 92.5 | Very high | 93.5 | Very high | 159 Ų | 159 | 96.6 Ų | 96.6 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.3 | 172.3 | -67.6 | -178.8 | -177.9 | 0 | 0 | 110.1 | V78 | V78-E92 HydrophobicContact CG1-CB 3.76Å; V78-E92 HydrophobicContact CG1-CG 4.07Å |
| 93 | V | 92.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 91.5 Ų | 91.5 | 26% | 0.261 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.1 | 174.8 | 179 | 0 | 0 | 0 | 0 | 108.9 | R79 V81 V88 E95 | R79-V93 PolarHBondContact N-O 2.95Å; R79-V93 VanDerWaalsContact N-O 3.13Å; R79-V93 PolarHBondContact O-N 2.8Å; V81-V93 HydrophobicContact CG2-CB 3.8Å; V81-V93 HydrophobicContact CG2-CG2 3.54Å; V88-V93 HydrophobicContact CB-CG2 4.37Å; V93-E95 HydrophobicContact CG1-CG 4.22Å |
| 94 | V | 95.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 88.5 Ų | 88.5 | 58% | 0.582 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 115.8 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | H76 I77 V78 | H76-V94 HydrophobicContact CB-CG1 3.64Å; I77-V94 WeakPolarHBondContact O-CA 3.26Å; V78-V94 HydrophobicContact CG2-CG2 4.29Å |
| 95 | E | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 85.3 Ų | 85.3 | 28% | 0.276 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135 | 177.7 | -68.8 | -171.8 | 168.7 | 0 | 0 | 111.2 | H76 I77 R79 V93 | H76-E95 CarbonylContact C-O 3.41Å; H76-E95 VanDerWaalsContact CA-O 3.25Å; H76-E95 WeakPolarHBondContact CA-O 3.46Å; I77-E95 HydrophobicContact CG1-CB 4.36Å; I77-E95 PolarHBondContact N-O 3.21Å; I77-E95 PolarHBondContact O-N 2.94Å; R79-E95 IonicContact CZ-OE1 3.39Å; R79-E95 IonicContact CZ-OE2 3.46Å; R79-E95 IonicContact NE-OE1 3.34Å; R79-E95 PolarHBondContact NE-OE1 2.71Å; R79-E95 IonicContact NE-OE2 2.72Å; R79-E95 PolarHBondContact NE-OE2 2.98Å; R79-E95 IonicContact NH2-OE1 2.7Å; R79-E95 PolarHBondContact NH2-OE1 3.15Å; R79-E95 IonicContact NH2-OE2 3.35Å; R79-E95 PolarHBondContact NH2-OE2 3.15Å; V93-E95 HydrophobicContact CG1-CG 4.22Å |
| 96 | A | 96.6 | Very high | 93.9 | Very high | 83 Ų | 83 | 83.6 Ų | 83.6 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 97 | V | 97.3 | Very high | 93.9 | Very high | 43 Ų | 43 | 85.3 Ų | 85.3 | 26% | 0.261 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.5 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | M74 T75 I77 | M74-V97 VanDerWaalsContact CA-O 3.27Å; M74-V97 WeakPolarHBondContact CA-O 3.39Å; T75-V97 PolarHBondContact N-O 3.23Å; T75-V97 WeakPolarHBondContact O-CG2 3.45Å; T75-V97 PolarHBondContact O-N 3.29Å; T75-V97 VanDerWaalsContact O-O 3.1Å; T75-V97 WeakPolarHBondContact OG1-CG2 3.41Å; I77-V97 HydrophobicContact CD1-CG1 3.72Å; I77-V97 HydrophobicContact CG1-CG1 3.71Å; I77-V97 HydrophobicContact CG2-CG1 4.23Å; I77-V97 HydrophobicContact CG2-CG2 3.78Å |
| 98 | T | 97.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 76 Ų | 76 | 49% | 0.485 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.4 | 173.6 | 30.2 | 0 | 0 | 0 | 0 | 109 | M74 | M74-T98 HydrophobicContact CE-CG2 3.94Å; M74-T98 HydrophobicContact CG-CG2 3.41Å; M74-T98 VanDerWaalsContact CG-CG2 3.41Å; M74-T98 HydrophobicContact SD-CG2 3.63Å |
| 99 | I | 97.2 | Very high | 94.3 | Very high | 83 Ų | 83 | 73 Ų | 73 | 43% | 0.426 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.1 | 174.1 | -57.1 | 177 | 0 | 0 | 0 | 107.4 | A72 G73 T75 | A72-I99 HydrophobicContact CB-CG2 4.19Å; A72-I99 PolarHBondContact N-O 2.88Å; G73-I99 PolarHBondContact N-O 3.01Å; G73-I99 PolarHBondContact O-N 2.84Å; T75-I99 HydrophobicContact CG2-CD1 3.68Å |
| 100 | V | 96.8 | Very high | 94.6 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.3 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | Y70 T102 | Y70-V100 CarbonylContact O-C 3.55Å; Y70-V100 WeakPolarHBondContact O-CA 3.41Å; V100-T102 HydrophobicContact CG1-CG2 4.11Å |
| 101 | E | 96.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.5 | 171.5 | -169.7 | -169.7 | 164.7 | 0 | 0 | 109.1 | G69 Y70 A72 P103 | G69-E101 CarbonylContact C-O 3.54Å; G69-E101 VanDerWaalsContact CA-O 3.26Å; G69-E101 WeakPolarHBondContact CA-O 3.35Å; Y70-E101 PolarHBondContact N-O 2.82Å; Y70-E101 PolarHBondContact O-N 2.98Å; A72-E101 HydrophobicContact CB-CB 4.48Å; E101-P103 WeakPolarHBondContact O-CD 3.27Å |
| 102 | T | 95.3 | Very high | 95.1 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -121.4 | 78.4 | -176.2 | 50 | 0 | 0 | 0 | 0 | 109.4 | F67 V100 | F67-T102 HydrophobicContact CD1-CG2 3.88Å; F67-T102 VanDerWaalsContact CE1-CB 3.43Å; F67-T102 HydrophobicContact CE1-CG2 3.86Å; V100-T102 HydrophobicContact CG1-CG2 4.11Å | ||
| 103 | P | 94.2 | Very high | 95.3 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 16% | 0.156 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 150.6 | 176.8 | 27.9 | -34.8 | 0 | 0 | 0 | 110 | F67 Y70 E101 M105 | F67-P103 WeakPolarHBondContact CZ-O 3.47Å; Y70-P103 HydrophobicContact CD2-CG 4.15Å; Y70-P103 HydrophobicContact CE2-CG 4.07Å; E101-P103 WeakPolarHBondContact O-CD 3.27Å; P103-M105 PolarHBondContact O-N 2.99Å |
| 104 | P | 93.6 | Very high | 95.4 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 53% | 0.532 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 133.3 | -179.4 | 24.2 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 105 | M | 93.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134 | 178.8 | -69.4 | -175.7 | 62.6 | 0 | 0 | 110.6 | F67 L68 P103 A185 H186 T187 | F67-M105 HydrophobicContact CD1-SD 4.16Å; F67-M105 HydrophobicContact CD2-CG 4.33Å; F67-M105 HydrophobicContact CD2-SD 3.71Å; F67-M105 HydrophobicContact CE1-CG 4.14Å; F67-M105 HydrophobicContact CE1-SD 4.13Å; F67-M105 HydrophobicContact CE2-CB 4.18Å; F67-M105 HydrophobicContact CE2-CG 3.73Å; F67-M105 HydrophobicContact CE2-SD 3.74Å; F67-M105 HydrophobicContact CG-SD 3.94Å; F67-M105 HydrophobicContact CZ-CB 4.38Å; F67-M105 HydrophobicContact CZ-CG 3.63Å; F67-M105 HydrophobicContact CZ-SD 3.96Å; L68-M105 HydrophobicContact CB-CE 4.18Å; L68-M105 HydrophobicContact CB-SD 3.86Å; L68-M105 HydrophobicContact CD1-CE 3.86Å; L68-M105 HydrophobicContact CG-CE 4.1Å; L68-M105 HydrophobicContact CG-SD 4.36Å; L68-M105 PolarHBondContact N-SD 3.17Å; P103-M105 PolarHBondContact O-N 2.99Å; M105-A185 HydrophobicContact CE-CB 3.58Å; M105-H186 CarbonylContact C-O 3.52Å; M105-H186 WeakPolarHBondContact CA-O 3.33Å; M105-T187 HydrophobicContact CG-CG2 4.22Å |
| 106 | V | 92.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.1 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | A185 H186 Q188 | V106-A185 VanDerWaalsContact O-CA 3.32Å; V106-A185 WeakPolarHBondContact O-CA 3.45Å; V106-H186 PolarHBondContact N-O 2.66Å; V106-H186 PolarHBondContact O-CD2 3.3Å; V106-H186 PolarHBondContact O-N 3.06Å; V106-Q188 HydrophobicContact CG2-CG 4.05Å |
| 107 | V | 93.5 | Very high | 95.2 | Very high | 76 Ų | 76 | 58 Ų | 58 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.9 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | I183 A185 | V107-I183 HydrophobicContact CB-CG2 4Å; V107-I183 HydrophobicContact CG1-CG2 3.27Å; V107-I183 HydrophobicContact CG2-CG2 3.66Å; V107-A185 HydrophobicContact CG2-CB 4.4Å |
| 108 | V | 94.1 | Very high | 95 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -16.3 | -174 | -166.1 | 0 | 0 | 0 | 0 | 112 | F127 A128 I131 C135 I184 H186 | V108-F127 HydrophobicContact CG1-CD1 4.3Å; V108-F127 CarbonylContact O-C 3.59Å; V108-F127 WeakPolarHBondContact O-CA 3.47Å; V108-A128 WeakPolarHBondContact O-CB 3.41Å; V108-A128 PolarHBondContact O-N 2.92Å; V108-I131 HydrophobicContact CG1-CB 4.34Å; V108-I131 HydrophobicContact CG1-CD1 3.97Å; V108-I131 HydrophobicContact CG1-CG1 3.81Å; V108-I131 HydrophobicContact CG1-CG2 3.79Å; V108-C135 HydrophobicContact CG2-CB 4.46Å; V108-I184 PolarHBondContact N-O 2.95Å; V108-H186 WeakPolarHBondContact CG2-CD2 3.42Å |
| 109 | G | 94.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V126 I184 | G109-V126 CarbonylContact C-O 3.5Å; G109-V126 WeakPolarHBondContact CA-O 3.46Å; G109-I184 PolarHBondContact N-O 2.76Å; G109-I184 PolarHBondContact O-N 2.85Å |
| 110 | I | 95.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 65.5 Ų | 65.5 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.2 | -177.7 | -58.8 | 171.1 | 0 | 0 | 0 | 108.2 | T125 V126 M174 I181 R182 | I110-T125 CarbonylContact O-C 3.21Å; I110-T125 WeakPolarHBondContact O-CA 2.79Å; I110-V126 PolarHBondContact N-O 2.74Å; I110-V126 PolarHBondContact O-N 2.77Å; I110-M174 HydrophobicContact CG2-CE 3.97Å; I110-I181 HydrophobicContact CG2-CG2 3.28Å; I110-R182 CarbonylContact C-O 3.57Å; I110-R182 WeakPolarHBondContact CA-O 3.27Å |
| 111 | V | 96.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 69.4 Ų | 69.4 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.8 | 175 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | Y113 T122 T125 R182 I184 | V111-Y113 HydrophobicContact CB-CE2 3.96Å; V111-Y113 HydrophobicContact CG1-CD2 4.06Å; V111-Y113 HydrophobicContact CG1-CE2 3.48Å; V111-Y113 VanDerWaalsContact CG1-CE2 3.48Å; V111-T122 HydrophobicContact CG1-CG2 4.13Å; V111-T125 HydrophobicContact CB-CG2 4.26Å; V111-T125 HydrophobicContact CG1-CG2 3.89Å; V111-T125 HydrophobicContact CG2-CG2 3.78Å; V111-R182 PolarHBondContact N-O 2.75Å; V111-R182 PolarHBondContact O-N 2.88Å; V111-I184 HydrophobicContact CG2-CD1 3.5Å; V111-I184 HydrophobicContact CG2-CG1 3.6Å |
| 112 | G | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F123 K124 C178 | G112-F123 PolarHBondContact O-N 2.76Å; G112-K124 PolarHBondContact N-O 3.31Å; G112-C178 VanDerWaalsContact CA-SG 3.58Å |
| 113 | Y | 95.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 67.1 Ų | 67.1 | 18% | 0.18 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.1 | 174.1 | -70.1 | -92.2 | 0 | 0 | 0 | 110.3 | V111 L120 R121 T122 C178 Q179 V180 R182 | V111-Y113 HydrophobicContact CB-CE2 3.96Å; V111-Y113 HydrophobicContact CG1-CD2 4.06Å; V111-Y113 HydrophobicContact CG1-CE2 3.48Å; V111-Y113 VanDerWaalsContact CG1-CE2 3.48Å; Y113-L120 HydrophobicContact CD1-CB 4.12Å; Y113-R121 WeakPolarHBondContact CA-O 3.49Å; Y113-T122 HydrophobicContact CD1-CG2 4.07Å; Y113-T122 HydrophobicContact CE1-CG2 3.39Å; Y113-C178 VanDerWaalsContact O-CA 3.27Å; Y113-C178 WeakPolarHBondContact O-CA 3.4Å; Y113-C178 WeakPolarHBondContact O-CB 3.25Å; Y113-Q179 PolarHBondContact O-N 3.44Å; Y113-V180 PolarHBondContact N-O 3.26Å; Y113-V180 PolarHBondContact O-N 2.7Å; Y113-R182 HydrophobicContact CD2-CB 4.48Å; Y113-R182 HydrophobicContact CD2-CG 4.02Å; Y113-R182 HydrophobicContact CE2-CB 4.04Å; Y113-R182 HydrophobicContact CE2-CG 3.82Å |
| 114 | V | 96.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.4 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | T116 R121 F123 | V114-T116 PolarHBondContact O-N 2.87Å; V114-R121 PolarHBondContact N-O 3.18Å; V114-R121 PolarHBondContact O-N 3.45Å; V114-F123 HydrophobicContact CB-CB 4.49Å; V114-F123 HydrophobicContact CG2-CB 3.63Å; V114-F123 HydrophobicContact CG2-CD1 4.43Å; V114-F123 HydrophobicContact CG2-CD2 3.99Å; V114-F123 HydrophobicContact CG2-CG 3.78Å |
| 115 | E | 92.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 68.3 Ų | 68.3 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 124.7 | 172.9 | -171 | 170.1 | -156.8 | 0 | 0 | 109.8 | L120 | E115-L120 HydrophobicContact CB-CD2 4.14Å |
| 116 | T | 94.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 161.4 | 171.1 | 68.1 | 0 | 0 | 0 | 0 | 107 | V114 R118 G119 R121 | V114-T116 PolarHBondContact O-N 2.87Å; T116-R118 PolarHBondContact O-N 3.08Å; T116-G119 PolarHBondContact N-O 2.93Å; T116-G119 WeakPolarHBondContact O-CA 3.38Å; T116-G119 PolarHBondContact O-N 2.85Å; T116-G119 PolarHBondContact OG1-O 3.23Å; T116-R121 HydrophobicContact CG2-CB 4.08Å |
| 117 | P | 94.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 65 Ų | 65 | 92% | 0.922 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.3 | 177.3 | 22.2 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 118 | R | 92.8 | Very high | 94.5 | Very high | 247 Ų | 247 | 63 Ų | 63 | 93% | 0.932 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | 174.7 | -60.3 | -176 | -178.4 | 177.6 | 0.6 | 113.5 | T116 | T116-R118 PolarHBondContact O-N 3.08Š|
| 119 | G | 91.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.8 | -168.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T116 R121 | T116-G119 PolarHBondContact N-O 2.93Å; T116-G119 WeakPolarHBondContact O-CA 3.38Å; T116-G119 PolarHBondContact O-N 2.85Å; T116-G119 PolarHBondContact OG1-O 3.23Å; G119-R121 PolarHBondContact O-N 2.86Å |
| 120 | L | 93.7 | Very high | 94 | Very high | 81 Ų | 81 | 72.3 Ų | 72.3 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.5 | -178.5 | -65.2 | 173.4 | 0 | 0 | 0 | 111.3 | Y113 E115 V180 | Y113-L120 HydrophobicContact CD1-CB 4.12Å; E115-L120 HydrophobicContact CB-CD2 4.14Å; L120-V180 HydrophobicContact CD2-CG2 4.34Å |
| 121 | R | 94.8 | Very high | 93.8 | Very high | 155 Ų | 155 | 70.3 Ų | 70.3 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.2 | 174 | -172.2 | 177.8 | 67.1 | 167.1 | -0.7 | 110.3 | Y113 V114 T116 G119 F123 | Y113-R121 WeakPolarHBondContact CA-O 3.49Å; V114-R121 PolarHBondContact N-O 3.18Å; V114-R121 PolarHBondContact O-N 3.45Å; T116-R121 HydrophobicContact CG2-CB 4.08Å; G119-R121 PolarHBondContact O-N 2.86Å; R121-F123 PolarHBondContact O-N 3.43Å |
| 122 | T | 94.9 | Very high | 93.5 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 110 | V111 Y113 | V111-T122 HydrophobicContact CG1-CG2 4.13Å; Y113-T122 HydrophobicContact CD1-CG2 4.07Å; Y113-T122 HydrophobicContact CE1-CG2 3.39Å |
| 123 | F | 93.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 76.7 Ų | 76.7 | 31% | 0.307 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -65.3 | -179.9 | -178.2 | -117.3 | 0 | 0 | 0 | 111.7 | G112 V114 R121 Y177 | G112-F123 PolarHBondContact O-N 2.76Å; V114-F123 HydrophobicContact CB-CB 4.49Å; V114-F123 HydrophobicContact CG2-CB 3.63Å; V114-F123 HydrophobicContact CG2-CD1 4.43Å; V114-F123 HydrophobicContact CG2-CD2 3.99Å; V114-F123 HydrophobicContact CG2-CG 3.78Å; R121-F123 PolarHBondContact O-N 3.43Å; F123-Y177 HydrophobicContact CE1-CD2 4.28Å; F123-Y177 HydrophobicContact CZ-CD2 4.01Å |
| 124 | K | 94.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 79 Ų | 79 | 27% | 0.265 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.4 | 177.5 | -68.6 | -174 | 178.2 | -176.6 | 0 | 110.3 | G112 D170 M174 | G112-K124 PolarHBondContact N-O 3.31Å; K124-D170 HydrophobicContact CD-CB 4.05Å; K124-D170 WeakPolarHBondContact CD-OD1 3.42Å; K124-D170 WeakPolarHBondContact CE-OD1 3.27Å; K124-D170 IonicContact NZ-OD1 2.67Å; K124-D170 PolarHBondContact NZ-OD1 2.74Å; K124-M174 HydrophobicContact CB-CG 4.31Å; K124-M174 HydrophobicContact CB-SD 4.46Å; K124-M174 WeakPolarHBondContact O-CE 3.36Å |
| 125 | T | 94.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 78.1 Ų | 78.1 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.8 | 173.7 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | I110 V111 | I110-T125 CarbonylContact O-C 3.21Å; I110-T125 WeakPolarHBondContact O-CA 2.79Å; V111-T125 HydrophobicContact CB-CG2 4.26Å; V111-T125 HydrophobicContact CG1-CG2 3.89Å; V111-T125 HydrophobicContact CG2-CG2 3.78Å |
| 126 | V | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.6 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | G109 I110 Y154 W158 L167 D170 F171 M174 | G109-V126 CarbonylContact C-O 3.5Å; G109-V126 WeakPolarHBondContact CA-O 3.46Å; I110-V126 PolarHBondContact N-O 2.74Å; I110-V126 PolarHBondContact O-N 2.77Å; V126-Y154 WeakPolarHBondContact CA-OH 3.45Å; V126-W158 HydrophobicContact CG1-CZ2 4.17Å; V126-L167 HydrophobicContact CG1-CD2 3.91Å; V126-D170 HydrophobicContact CG2-CB 4.22Å; V126-F171 HydrophobicContact CB-CE1 4.3Å; V126-F171 HydrophobicContact CB-CZ 4.34Å; V126-F171 HydrophobicContact CG1-CE1 3.98Å; V126-F171 HydrophobicContact CG1-CE2 4.1Å; V126-F171 HydrophobicContact CG1-CZ 3.52Å; V126-F171 HydrophobicContact CG2-CE1 4.47Å; V126-M174 HydrophobicContact CG2-SD 3.77Å |
| 127 | F | 94.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 79.4 Ų | 79.4 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 157.2 | 177.2 | -70.1 | -88.1 | 0 | 0 | 0 | 110.8 | V108 I131 F151 Y154 W158 I184 | V108-F127 HydrophobicContact CG1-CD1 4.3Å; V108-F127 CarbonylContact O-C 3.59Å; V108-F127 WeakPolarHBondContact O-CA 3.47Å; F127-I131 HydrophobicContact CB-CD1 4.2Å; F127-I131 HydrophobicContact CD1-CD1 4.47Å; F127-F151 HydrophobicContact CB-CE1 4.36Å; F127-F151 AromaticContact CD1-CE1 3.75Å; F127-F151 HydrophobicContact CD1-CE1 3.75Å; F127-F151 HydrophobicContact CD1-CZ 4.14Å; F127-F151 HydrophobicContact CD2-CD1 4.46Å; F127-F151 AromaticContact CD2-CE1 3.68Å; F127-F151 HydrophobicContact CD2-CE1 3.68Å; F127-F151 AromaticContact CE1-CE1 3.84Å; F127-F151 HydrophobicContact CE1-CE1 3.84Å; F127-F151 AromaticContact CE1-CZ 3.86Å; F127-F151 HydrophobicContact CE1-CZ 3.86Å; F127-F151 AromaticContact CE2-CE1 3.77Å; F127-F151 HydrophobicContact CE2-CE1 3.77Å; F127-F151 HydrophobicContact CE2-CZ 4.32Å; F127-F151 HydrophobicContact CG-CD1 4.3Å; F127-F151 AromaticContact CG-CE1 3.66Å; F127-F151 HydrophobicContact CG-CE1 3.66Å; F127-F151 HydrophobicContact CG-CZ 4.48Å; F127-F151 AromaticContact CZ-CE1 3.84Å; F127-F151 HydrophobicContact CZ-CE1 3.84Å; F127-F151 AromaticContact CZ-CZ 3.95Å; F127-F151 HydrophobicContact CZ-CZ 3.95Å; F127-Y154 HydrophobicContact CB-CD1 4.03Å; F127-Y154 HydrophobicContact CB-CE1 3.56Å; F127-Y154 PolarHBondContact N-OH 3.23Å; F127-Y154 WeakPolarHBondContact O-CE1 3.21Å; F127-W158 WeakPolarHBondContact O-CZ2 3.43Å; F127-W158 PolarHBondContact O-NE1 3.24Å; F127-I184 HydrophobicContact CE1-CD1 3.84Å; F127-I184 HydrophobicContact CZ-CD1 4Å |
| 128 | A | 92.7 | Very high | 92.2 | Very high | 33 Ų | 33 | 77.6 Ų | 77.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -64.5 | 156.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V108 | V108-A128 WeakPolarHBondContact O-CB 3.41Å; V108-A128 PolarHBondContact O-N 2.92Å | ||
| 129 | E | 90.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 71 Ų | 71 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -63.6 | -53.2 | 176.2 | 175.5 | 170.6 | -167.7 | 0 | 0 | 111.9 | C155 W158 Q159 | E129-C155 PolarHBondContact O-SG 3.39Å; E129-W158 HydrophobicContact CB-CB 3.87Å; E129-W158 HydrophobicContact CB-CD2 4.01Å; E129-W158 HydrophobicContact CB-CG 3.66Å; E129-W158 HydrophobicContact CG-CB 3.63Å; E129-W158 HydrophobicContact CG-CG 4Å; E129-Q159 PolarHBondContact OE1-NE2 3.31Å |
| 130 | H | 89.2 | Confident | 92.2 | Very high | 150 Ų | 150 | 72.3 Ų | 72.3 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -101.4 | 117 | 179.6 | -60.2 | -59.1 | 0 | 0 | 0 | 109.9 | ||
| 131 | I | 91 | Very high | 92.1 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | trans | -113 | 123.7 | 177.6 | -57.1 | 179.6 | 0 | 0 | 0 | 108.1 | V108 F127 C135 K136 F151 | V108-I131 HydrophobicContact CG1-CB 4.34Å; V108-I131 HydrophobicContact CG1-CD1 3.97Å; V108-I131 HydrophobicContact CG1-CG1 3.81Å; V108-I131 HydrophobicContact CG1-CG2 3.79Å; F127-I131 HydrophobicContact CB-CD1 4.2Å; F127-I131 HydrophobicContact CD1-CD1 4.47Å; I131-C135 HydrophobicContact CG2-CB 3.71Å; I131-K136 HydrophobicContact CG2-CG 4.12Å; I131-K136 WeakPolarHBondContact O-CE 3.42Å; I131-K136 PolarHBondContact O-NZ 3.38Å; I131-F151 HydrophobicContact CD1-CB 3.78Å; I131-F151 HydrophobicContact CD1-CD1 3.52Å; I131-F151 HydrophobicContact CD1-CD2 3.93Å; I131-F151 HydrophobicContact CD1-CE1 4.06Å; I131-F151 HydrophobicContact CD1-CE2 4.44Å; I131-F151 HydrophobicContact CD1-CG 3.44Å; I131-F151 VanDerWaalsContact CD1-CG 3.44Å; I131-F151 HydrophobicContact CD1-CZ 4.5Å | ||
| 132 | S | 90.1 | Very high | 92 | Very high | 46 Ų | 46 | 76.2 Ų | 76.2 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | trans | -62.2 | 152.1 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | E134 C135 K136 H186 | S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 3.28Å; S132-C135 WeakPolarHBondContact O-CB 3.46Å; S132-C135 PolarHBondContact O-N 3.3Å; S132-C135 VanDerWaalsContact O-N 3.14Å; S132-C135 PolarHBondContact OG-N 3.38Å; S132-K136 PolarHBondContact O-N 3.34Å; S132-K136 VanDerWaalsContact O-N 3.08Å; S132-H186 PolarHBondContact OG-CE1 2.85Å; S132-H186 PolarHBondContact OG-NE2 3.42Å | ||
| 133 | D | 89 | Confident | 91.8 | Very high | 100 Ų | 100 | 73.8 Ų | 73.8 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -27.5 | -179.9 | -77.6 | -4.8 | 0 | 0 | 0 | 112.5 | C135 K136 R137 W143 | D133-C135 VanDerWaalsContact C-N 3.31Å; D133-C135 PolarHBondContact O-N 3.45Å; D133-K136 PolarHBondContact O-N 2.84Å; D133-K136 IonicContact OD1-NZ 2.79Å; D133-K136 PolarHBondContact OD1-NZ 3.08Å; D133-R137 WeakPolarHBondContact O-CB 3.36Å; D133-R137 PolarHBondContact O-N 3.3Å; D133-W143 HydrophobicContact CB-CZ2 4.35Å |
| 134 | E | 89.8 | Confident | 91.7 | Very high | 96 Ų | 96 | 78 Ų | 78 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 170.1 | -67 | 169.2 | -176 | 0 | 0 | 112 | S132 R137 | S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 3.28Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å |
| 135 | C | 91.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 84.2 Ų | 84.2 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 174.5 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | V108 I131 S132 D133 R137 R138 F139 | V108-C135 HydrophobicContact CG2-CB 4.46Å; I131-C135 HydrophobicContact CG2-CB 3.71Å; S132-C135 WeakPolarHBondContact O-CB 3.46Å; S132-C135 PolarHBondContact O-N 3.3Å; S132-C135 VanDerWaalsContact O-N 3.14Å; S132-C135 PolarHBondContact OG-N 3.38Å; D133-C135 VanDerWaalsContact C-N 3.31Å; D133-C135 PolarHBondContact O-N 3.45Å; C135-R137 PolarHBondContact O-N 3.46Å; C135-R138 WeakPolarHBondContact O-CB 3.28Å; C135-R138 PolarHBondContact O-N 3.14Å; C135-F139 VanDerWaalsContact O-CD2 3.25Å; C135-F139 WeakPolarHBondContact O-CD2 3.43Å; C135-F139 WeakPolarHBondContact O-CE2 3.06Å |
| 136 | K | 91.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 82.7 Ų | 82.7 | 17% | 0.17 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.5 | -35.5 | 177.5 | -66.7 | 179.8 | -161 | 143.7 | 0 | 112.1 | I131 S132 D133 R138 F139 Y140 W143 | I131-K136 HydrophobicContact CG2-CG 4.12Å; I131-K136 WeakPolarHBondContact O-CE 3.42Å; I131-K136 PolarHBondContact O-NZ 3.38Å; S132-K136 PolarHBondContact O-N 3.34Å; S132-K136 VanDerWaalsContact O-N 3.08Å; D133-K136 PolarHBondContact O-N 2.84Å; D133-K136 IonicContact OD1-NZ 2.79Å; D133-K136 PolarHBondContact OD1-NZ 3.08Å; K136-R138 PolarHBondContact O-N 2.79Å; K136-F139 PolarHBondContact O-N 3.26Å; K136-Y140 WeakPolarHBondContact O-CD2 3.28Å; K136-W143 VanDerWaalsContact C-CZ3 3.42Å; K136-W143 HydrophobicContact CB-CH2 3.55Å; K136-W143 HydrophobicContact CB-CZ3 3.67Å; K136-W143 WeakPolarHBondContact O-CZ3 3.47Å |
| 137 | R | 91.8 | Very high | 91.5 | Very high | 153 Ų | 153 | 91.2 Ų | 91.2 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.8 | -32.2 | 176.7 | -173.6 | 176 | 171.7 | 178.9 | -1.7 | 112.7 | D133 E134 C135 F139 Y140 W143 | D133-R137 WeakPolarHBondContact O-CB 3.36Å; D133-R137 PolarHBondContact O-N 3.3Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å; C135-R137 PolarHBondContact O-N 3.46Å; R137-F139 PolarHBondContact O-N 3.02Å; R137-Y140 PolarHBondContact O-N 3.23Å; R137-Y140 VanDerWaalsContact O-O 3.12Å; R137-W143 VanDerWaalsContact CA-CE3 3.49Å; R137-W143 HydrophobicContact CB-CD2 4.14Å; R137-W143 HydrophobicContact CB-CE3 4.13Å; R137-W143 HydrophobicContact CB-CZ3 4.45Å; R137-W143 HydrophobicContact CG-CB 4.15Å; R137-W143 HydrophobicContact CG-CD2 4.17Å; R137-W143 HydrophobicContact CG-CE3 4.46Å; R137-W143 HydrophobicContact CG-CG 4.05Å |
| 138 | R | 90.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 94.4 Ų | 94.4 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.5 | 178.7 | -59.4 | -179 | 178.7 | -143.5 | -3 | 113.5 | R47 C135 K136 T187 | R47-R138 VanDerWaalsContact NH1-NH1 3.17Å; C135-R138 WeakPolarHBondContact O-CB 3.28Å; C135-R138 PolarHBondContact O-N 3.14Å; K136-R138 PolarHBondContact O-N 2.79Å; R138-T187 PolarHBondContact NH2-O 3.08Å; R138-T187 PolarHBondContact NH2-OG1 3.45Å |
| 139 | F | 91 | Very high | 91.3 | Very high | 109 Ų | 109 | 99.4 Ų | 99.4 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.4 | 179.9 | -63.4 | -87.2 | 0 | 0 | 0 | 113.5 | C135 K136 R137 F151 | C135-F139 VanDerWaalsContact O-CD2 3.25Å; C135-F139 WeakPolarHBondContact O-CD2 3.43Å; C135-F139 WeakPolarHBondContact O-CE2 3.06Å; K136-F139 PolarHBondContact O-N 3.26Å; R137-F139 PolarHBondContact O-N 3.02Å; F139-F151 HydrophobicContact CD1-CE2 4.11Å; F139-F151 HydrophobicContact CD1-CZ 4.44Å; F139-F151 AromaticContact CD2-CE2 3.75Å; F139-F151 HydrophobicContact CD2-CE2 3.75Å; F139-F151 AromaticContact CE1-CE2 3.81Å; F139-F151 HydrophobicContact CE1-CE2 3.81Å; F139-F151 AromaticContact CE1-CZ 3.79Å; F139-F151 HydrophobicContact CE1-CZ 3.79Å; F139-F151 HydrophobicContact CE2-CD2 4.43Å; F139-F151 AromaticContact CE2-CE2 3.42Å; F139-F151 HydrophobicContact CE2-CE2 3.42Å; F139-F151 VanDerWaalsContact CE2-CE2 3.42Å; F139-F151 AromaticContact CE2-CZ 3.99Å; F139-F151 HydrophobicContact CE2-CZ 3.99Å; F139-F151 HydrophobicContact CG-CE2 4.08Å; F139-F151 AromaticContact CZ-CE2 3.45Å; F139-F151 HydrophobicContact CZ-CE2 3.45Å; F139-F151 VanDerWaalsContact CZ-CE2 3.45Å; F139-F151 AromaticContact CZ-CZ 3.53Å; F139-F151 HydrophobicContact CZ-CZ 3.53Å |
| 140 | Y | 93.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 24% | 0.235 | 45% | 0.445 | C | S | . | . | trans | -118.7 | 133.1 | 179.3 | -66.8 | -80.9 | 0 | 0 | 0 | 110.8 | K136 R137 W143 S146 K149 A150 | K136-Y140 WeakPolarHBondContact O-CD2 3.28Å; R137-Y140 PolarHBondContact O-N 3.23Å; R137-Y140 VanDerWaalsContact O-O 3.12Å; Y140-W143 AromaticContact CD2-CE3 3.42Å; Y140-W143 HydrophobicContact CD2-CE3 3.42Å; Y140-W143 VanDerWaalsContact CD2-CE3 3.42Å; Y140-W143 AromaticContact CD2-CZ3 3.46Å; Y140-W143 HydrophobicContact CD2-CZ3 3.46Å; Y140-W143 VanDerWaalsContact CD2-CZ3 3.46Å; Y140-W143 HydrophobicContact CE2-CE3 4.12Å; Y140-W143 AromaticContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CG-CE3 4.08Å; Y140-S146 VanDerWaalsContact CD1-OG 3.3Å; Y140-S146 WeakPolarHBondContact CD1-OG 3.43Å; Y140-K149 PolarHBondContact OH-N 3.11Å; Y140-A150 HydrophobicContact CE2-CB 3.63Å; Y140-A150 PolarHBondContact OH-N 3.29Å | ||
| 141 | K | 90.8 | Very high | 91.4 | Very high | 212 Ų | 212 | 92.1 Ų | 92.1 | 92% | 0.922 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -67.8 | -45.7 | 167 | -68.1 | -175.2 | 179.2 | -179.8 | 0 | 110.8 | ||
| 142 | N | 93 | Very high | 91.3 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -115 | 82 | -178.6 | -67.4 | -12.1 | 0 | 0 | 0 | 110.7 | K145 S146 | N142-K145 HydrophobicContact CB-CB 4.49Å; N142-S146 WeakPolarHBondContact O-CB 3.37Å; N142-S146 PolarHBondContact O-N 3.21Å; N142-S146 PolarHBondContact O-OG 3.04Å |
| 143 | W | 91.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 101 Ų | 101 | 12% | 0.117 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -49.9 | -175.6 | 177.7 | -109 | 0 | 0 | 0 | 113.8 | D133 K136 R137 Y140 K145 S146 K148 | D133-W143 HydrophobicContact CB-CZ2 4.35Å; K136-W143 VanDerWaalsContact C-CZ3 3.42Å; K136-W143 HydrophobicContact CB-CH2 3.55Å; K136-W143 HydrophobicContact CB-CZ3 3.67Å; K136-W143 WeakPolarHBondContact O-CZ3 3.47Å; R137-W143 VanDerWaalsContact CA-CE3 3.49Å; R137-W143 HydrophobicContact CB-CD2 4.14Å; R137-W143 HydrophobicContact CB-CE3 4.13Å; R137-W143 HydrophobicContact CB-CZ3 4.45Å; R137-W143 HydrophobicContact CG-CB 4.15Å; R137-W143 HydrophobicContact CG-CD2 4.17Å; R137-W143 HydrophobicContact CG-CE3 4.46Å; R137-W143 HydrophobicContact CG-CG 4.05Å; Y140-W143 AromaticContact CD2-CE3 3.42Å; Y140-W143 HydrophobicContact CD2-CE3 3.42Å; Y140-W143 VanDerWaalsContact CD2-CE3 3.42Å; Y140-W143 AromaticContact CD2-CZ3 3.46Å; Y140-W143 HydrophobicContact CD2-CZ3 3.46Å; Y140-W143 VanDerWaalsContact CD2-CZ3 3.46Å; Y140-W143 HydrophobicContact CE2-CE3 4.12Å; Y140-W143 AromaticContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CE2-CZ3 3.75Å; Y140-W143 HydrophobicContact CG-CE3 4.08Å; W143-K145 VanDerWaalsContact C-N 3.33Å; W143-K145 PolarHBondContact O-N 3.41Å; W143-S146 PolarHBondContact O-N 2.9Å; W143-S146 VanDerWaalsContact O-N 3.12Å; W143-K148 HydrophobicContact CD2-CG 4.27Å; W143-K148 HydrophobicContact CE3-CG 4.22Å; W143-K148 HydrophobicContact CH2-CB 4.17Å; W143-K148 HydrophobicContact CH2-CD 4.17Å; W143-K148 HydrophobicContact CH2-CG 3.93Å; W143-K148 HydrophobicContact CZ2-CD 3.73Å; W143-K148 HydrophobicContact CZ2-CG 3.96Å; W143-K148 HydrophobicContact CZ3-CB 4.37Å; W143-K148 HydrophobicContact CZ3-CG 4.06Å |
| 144 | H | 90.6 | Very high | 91.4 | Very high | 158 Ų | 158 | 98.3 Ų | 98.3 | 73% | 0.731 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.3 | -173.7 | -65.5 | -84.5 | 0 | 0 | 0 | 113.8 | ||
| 145 | K | 94.1 | Very high | 91.4 | Very high | 192 Ų | 192 | 95.2 Ų | 95.2 | 84% | 0.835 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.7 | 177.1 | -63.2 | -173.1 | 178.3 | -175.4 | 0 | 113.2 | N142 W143 | N142-K145 HydrophobicContact CB-CB 4.49Å; W143-K145 VanDerWaalsContact C-N 3.33Å; W143-K145 PolarHBondContact O-N 3.41Å |
| 146 | S | 92.9 | Very high | 91.4 | Very high | 38 Ų | 38 | 101.7 Ų | 101.7 | 27% | 0.266 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -88.7 | 153.7 | -174.3 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | Y140 N142 W143 K148 | Y140-S146 VanDerWaalsContact CD1-OG 3.3Å; Y140-S146 WeakPolarHBondContact CD1-OG 3.43Å; N142-S146 WeakPolarHBondContact O-CB 3.37Å; N142-S146 PolarHBondContact O-N 3.21Å; N142-S146 PolarHBondContact O-OG 3.04Å; W143-S146 PolarHBondContact O-N 2.9Å; W143-S146 VanDerWaalsContact O-N 3.12Å; S146-K148 PolarHBondContact O-N 2.98Å |
| 147 | K | 92.6 | Very high | 91.3 | Very high | 183 Ų | 183 | 103.6 Ų | 103.6 | 80% | 0.796 | 47% | 0.465 | S | S | * | . | trans | -73.3 | 0.6 | 175 | -60.2 | -175.3 | -179.7 | -178.4 | 0 | 114.3 | K149 | K147-K149 VanDerWaalsContact C-N 3.26Å; K147-K149 HydrophobicContact CB-CD 4.44Å; K147-K149 HydrophobicContact CB-CG 4.09Å; K147-K149 WeakPolarHBondContact O-CG 3.43Å; K147-K149 PolarHBondContact O-N 3.18Å; K147-K149 VanDerWaalsContact O-N 3.11Å | ||
| 148 | K | 92.2 | Very high | 91.2 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 42% | 0.422 | 45% | 0.447 | S | S | . | . | trans | 50 | 35.7 | 177.5 | -55.3 | 170.6 | -172 | 172.9 | 0 | 115.3 | W143 S146 A150 | W143-K148 HydrophobicContact CD2-CG 4.27Å; W143-K148 HydrophobicContact CE3-CG 4.22Å; W143-K148 HydrophobicContact CH2-CB 4.17Å; W143-K148 HydrophobicContact CH2-CD 4.17Å; W143-K148 HydrophobicContact CH2-CG 3.93Å; W143-K148 HydrophobicContact CZ2-CD 3.73Å; W143-K148 HydrophobicContact CZ2-CG 3.96Å; W143-K148 HydrophobicContact CZ3-CB 4.37Å; W143-K148 HydrophobicContact CZ3-CG 4.06Å; S146-K148 PolarHBondContact O-N 2.98Å; K148-A150 VanDerWaalsContact C-N 3.33Å; K148-A150 PolarHBondContact O-N 3.3Å | ||
| 149 | K | 91.1 | Very high | 91.2 | Very high | 138 Ų | 138 | 99.5 Ų | 99.5 | 60% | 0.6 | 46% | 0.455 | S | S | * | . | trans | -83.7 | 5.2 | -177.5 | -63.5 | -168.1 | 175.4 | -172.1 | 0 | 115.3 | Y140 K147 F151 T152 | Y140-K149 PolarHBondContact OH-N 3.11Å; K147-K149 VanDerWaalsContact C-N 3.26Å; K147-K149 HydrophobicContact CB-CD 4.44Å; K147-K149 HydrophobicContact CB-CG 4.09Å; K147-K149 WeakPolarHBondContact O-CG 3.43Å; K147-K149 PolarHBondContact O-N 3.18Å; K147-K149 VanDerWaalsContact O-N 3.11Å; K149-F151 PolarHBondContact O-N 3.24Å; K149-T152 WeakPolarHBondContact O-CG2 3.32Å; K149-T152 PolarHBondContact O-N 3.47Å; K149-T152 PolarHBondContact O-OG1 2.86Å | ||
| 150 | A | 89.7 | Confident | 91.3 | Very high | 16 Ų | 16 | 98.5 Ų | 98.5 | 13% | 0.132 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 135.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y140 K148 T152 | Y140-A150 HydrophobicContact CE2-CB 3.63Å; Y140-A150 PolarHBondContact OH-N 3.29Å; K148-A150 VanDerWaalsContact C-N 3.33Å; K148-A150 PolarHBondContact O-N 3.3Å; A150-T152 PolarHBondContact O-N 3.32Å |
| 151 | F | 91.2 | Very high | 91.2 | Very high | 37 Ų | 37 | 101 Ų | 101 | 16% | 0.162 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -4.4 | 180 | -60 | -83.9 | 0 | 0 | 0 | 117.5 | F127 I131 F139 K149 K153 Y154 C155 | F127-F151 HydrophobicContact CB-CE1 4.36Å; F127-F151 AromaticContact CD1-CE1 3.75Å; F127-F151 HydrophobicContact CD1-CE1 3.75Å; F127-F151 HydrophobicContact CD1-CZ 4.14Å; F127-F151 HydrophobicContact CD2-CD1 4.46Å; F127-F151 AromaticContact CD2-CE1 3.68Å; F127-F151 HydrophobicContact CD2-CE1 3.68Å; F127-F151 AromaticContact CE1-CE1 3.84Å; F127-F151 HydrophobicContact CE1-CE1 3.84Å; F127-F151 AromaticContact CE1-CZ 3.86Å; F127-F151 HydrophobicContact CE1-CZ 3.86Å; F127-F151 AromaticContact CE2-CE1 3.77Å; F127-F151 HydrophobicContact CE2-CE1 3.77Å; F127-F151 HydrophobicContact CE2-CZ 4.32Å; F127-F151 HydrophobicContact CG-CD1 4.3Å; F127-F151 AromaticContact CG-CE1 3.66Å; F127-F151 HydrophobicContact CG-CE1 3.66Å; F127-F151 HydrophobicContact CG-CZ 4.48Å; F127-F151 AromaticContact CZ-CE1 3.84Å; F127-F151 HydrophobicContact CZ-CE1 3.84Å; F127-F151 AromaticContact CZ-CZ 3.95Å; F127-F151 HydrophobicContact CZ-CZ 3.95Å; I131-F151 HydrophobicContact CD1-CB 3.78Å; I131-F151 HydrophobicContact CD1-CD1 3.52Å; I131-F151 HydrophobicContact CD1-CD2 3.93Å; I131-F151 HydrophobicContact CD1-CE1 4.06Å; I131-F151 HydrophobicContact CD1-CE2 4.44Å; I131-F151 HydrophobicContact CD1-CG 3.44Å; I131-F151 VanDerWaalsContact CD1-CG 3.44Å; I131-F151 HydrophobicContact CD1-CZ 4.5Å; F139-F151 HydrophobicContact CD1-CE2 4.11Å; F139-F151 HydrophobicContact CD1-CZ 4.44Å; F139-F151 AromaticContact CD2-CE2 3.75Å; F139-F151 HydrophobicContact CD2-CE2 3.75Å; F139-F151 AromaticContact CE1-CE2 3.81Å; F139-F151 HydrophobicContact CE1-CE2 3.81Å; F139-F151 AromaticContact CE1-CZ 3.79Å; F139-F151 HydrophobicContact CE1-CZ 3.79Å; F139-F151 HydrophobicContact CE2-CD2 4.43Å; F139-F151 AromaticContact CE2-CE2 3.42Å; F139-F151 HydrophobicContact CE2-CE2 3.42Å; F139-F151 VanDerWaalsContact CE2-CE2 3.42Å; F139-F151 AromaticContact CE2-CZ 3.99Å; F139-F151 HydrophobicContact CE2-CZ 3.99Å; F139-F151 HydrophobicContact CG-CE2 4.08Å; F139-F151 AromaticContact CZ-CE2 3.45Å; F139-F151 HydrophobicContact CZ-CE2 3.45Å; F139-F151 VanDerWaalsContact CZ-CE2 3.45Å; F139-F151 AromaticContact CZ-CZ 3.53Å; F139-F151 HydrophobicContact CZ-CZ 3.53Å; K149-F151 PolarHBondContact O-N 3.24Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.14Å; F151-Y154 WeakPolarHBondContact O-CA 3.2Å; F151-Y154 WeakPolarHBondContact O-CB 3.44Å; F151-Y154 PolarHBondContact O-N 3.12Å; F151-C155 PolarHBondContact O-N 2.77Å; F151-C155 PolarHBondContact O-SG 2.84Å |
| 152 | T | 90.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -52.6 | -42.6 | 179.7 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | K149 A150 K156 | K149-T152 WeakPolarHBondContact O-CG2 3.32Å; K149-T152 PolarHBondContact O-N 3.47Å; K149-T152 PolarHBondContact O-OG1 2.86Å; A150-T152 PolarHBondContact O-N 3.32Å; T152-K156 WeakPolarHBondContact O-CG 3.23Å |
| 153 | K | 90.4 | Very high | 91.3 | Very high | 179 Ų | 179 | 91.5 Ų | 91.5 | 78% | 0.778 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -73.4 | -29.5 | 175 | -64.7 | -173.9 | 179.1 | -174.1 | 0 | 113.1 | F151 | F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 3.14Å |
| 154 | Y | 90.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 94 Ų | 94 | 17% | 0.169 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -76.2 | -43.3 | -177.6 | -169.6 | -86 | 0 | 0 | 0 | 111 | V126 F127 F151 K156 K157 W158 L167 | V126-Y154 WeakPolarHBondContact CA-OH 3.45Å; F127-Y154 HydrophobicContact CB-CD1 4.03Å; F127-Y154 HydrophobicContact CB-CE1 3.56Å; F127-Y154 PolarHBondContact N-OH 3.23Å; F127-Y154 WeakPolarHBondContact O-CE1 3.21Å; F151-Y154 WeakPolarHBondContact O-CA 3.2Å; F151-Y154 WeakPolarHBondContact O-CB 3.44Å; F151-Y154 PolarHBondContact O-N 3.12Å; Y154-K156 PolarHBondContact O-N 2.9Å; Y154-K157 VanDerWaalsContact O-CB 3.28Å; Y154-K157 WeakPolarHBondContact O-CB 3.5Å; Y154-K157 PolarHBondContact O-N 3.4Å; Y154-W158 AromaticContact CE1-NE1 3.6Å; Y154-L167 WeakPolarHBondContact OH-CD2 3.42Å |
| 155 | C | 89.5 | Confident | 91.5 | Very high | 31 Ų | 31 | 92.9 Ų | 92.9 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.6 | -35.7 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | E129 F151 K157 W158 | E129-C155 PolarHBondContact O-SG 3.39Å; F151-C155 PolarHBondContact O-N 2.77Å; F151-C155 PolarHBondContact O-SG 2.84Å; C155-K157 VanDerWaalsContact C-N 3.26Å; C155-K157 PolarHBondContact O-N 3.18Å; C155-W158 WeakPolarHBondContact O-CB 3.38Å; C155-W158 PolarHBondContact O-N 2.84Å; C155-W158 VanDerWaalsContact O-N 3.15Å |
| 156 | K | 90.6 | Very high | 91.4 | Very high | 141 Ų | 141 | 88.4 Ų | 88.4 | 61% | 0.613 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 174.9 | -69.9 | -178.5 | 179.5 | -160.7 | 0 | 113.4 | T152 Y154 W158 Q159 D160 | T152-K156 WeakPolarHBondContact O-CG 3.23Å; Y154-K156 PolarHBondContact O-N 2.9Å; K156-W158 PolarHBondContact O-N 2.85Å; K156-Q159 WeakPolarHBondContact O-CB 3.19Å; K156-Q159 PolarHBondContact O-N 2.64Å; K156-D160 PolarHBondContact O-N 3.12Å; K156-D160 VanDerWaalsContact O-N 3.15Å |
| 157 | K | 90.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -26 | 176.9 | -62.3 | -170.2 | 170.3 | -159.8 | 0 | 113.4 | Y154 C155 Q159 G163 K164 | Y154-K157 VanDerWaalsContact O-CB 3.28Å; Y154-K157 WeakPolarHBondContact O-CB 3.5Å; Y154-K157 PolarHBondContact O-N 3.4Å; C155-K157 VanDerWaalsContact C-N 3.26Å; C155-K157 PolarHBondContact O-N 3.18Å; K157-Q159 VanDerWaalsContact C-N 3.28Å; K157-G163 CarbonylContact O-C 3.57Å; K157-G163 WeakPolarHBondContact O-CA 3.33Å; K157-K164 PolarHBondContact O-N 3.49Å |
| 158 | W | 90 | Very high | 91.5 | Very high | 54 Ų | 54 | 83.7 Ų | 83.7 | 21% | 0.205 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.4 | -19.8 | 175.6 | -77 | 98.9 | 0 | 0 | 0 | 112.4 | V126 F127 E129 Y154 C155 K156 K164 L167 F171 | V126-W158 HydrophobicContact CG1-CZ2 4.17Å; F127-W158 WeakPolarHBondContact O-CZ2 3.43Å; F127-W158 PolarHBondContact O-NE1 3.24Å; E129-W158 HydrophobicContact CB-CB 3.87Å; E129-W158 HydrophobicContact CB-CD2 4.01Å; E129-W158 HydrophobicContact CB-CG 3.66Å; E129-W158 HydrophobicContact CG-CB 3.63Å; E129-W158 HydrophobicContact CG-CG 4Å; Y154-W158 AromaticContact CE1-NE1 3.6Å; C155-W158 WeakPolarHBondContact O-CB 3.38Å; C155-W158 PolarHBondContact O-N 2.84Å; C155-W158 VanDerWaalsContact O-N 3.15Å; K156-W158 PolarHBondContact O-N 2.85Å; W158-K164 WeakPolarHBondContact O-CE 3.45Å; W158-K164 WeakPolarHBondContact O-CG 3.43Å; W158-L167 HydrophobicContact CD2-CD1 3.39Å; W158-L167 VanDerWaalsContact CE2-CD1 3.41Å; W158-L167 HydrophobicContact CE3-CD1 3.7Å; W158-L167 HydrophobicContact CG-CD1 3.86Å; W158-L167 HydrophobicContact CH2-CD1 4.05Å; W158-L167 HydrophobicContact CZ2-CD1 3.76Å; W158-L167 HydrophobicContact CZ2-CD2 4.14Å; W158-L167 HydrophobicContact CZ2-CG 4.45Å; W158-L167 HydrophobicContact CZ3-CD1 4.01Å; W158-F171 AromaticContact CH2-CE2 3.9Å; W158-F171 HydrophobicContact CH2-CE2 3.9Å; W158-F171 HydrophobicContact CH2-CZ 4.16Å |
| 159 | Q | 90.1 | Very high | 91.7 | Very high | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -87 | -39.8 | 178.1 | -64.3 | -70.1 | -23.8 | 0 | 0 | 111.1 | E129 K156 K157 | E129-Q159 PolarHBondContact OE1-NE2 3.31Å; K156-Q159 WeakPolarHBondContact O-CB 3.19Å; K156-Q159 PolarHBondContact O-N 2.64Å; K157-Q159 VanDerWaalsContact C-N 3.28Å |
| 160 | D | 92.4 | Very high | 91.8 | Very high | 87 Ų | 87 | 81 Ų | 81 | 47% | 0.465 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -74.7 | 133.5 | 179.8 | -55.7 | -37.2 | 0 | 0 | 0 | 112.5 | K156 T162 G163 K164 | K156-D160 PolarHBondContact O-N 3.12Å; K156-D160 VanDerWaalsContact O-N 3.15Å; D160-T162 VanDerWaalsContact C-N 3.27Å; D160-T162 PolarHBondContact O-N 3.05Å; D160-G163 WeakPolarHBondContact O-CA 3.25Å; D160-G163 PolarHBondContact O-N 3.35Å; D160-K164 PolarHBondContact O-N 3.21Å |
| 161 | D | 92.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 83.1 Ų | 83.1 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62 | -33.1 | 179.2 | -69 | -29.9 | 0 | 0 | 0 | 113.4 | G163 K165 | D161-G163 VanDerWaalsContact C-N 3.33Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 2.92Å |
| 162 | T | 92.9 | Very high | 92.3 | Very high | 113 Ų | 113 | 86.1 Ų | 86.1 | 69% | 0.693 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.7 | -35.9 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | D160 Q166 | D160-T162 VanDerWaalsContact C-N 3.27Å; D160-T162 PolarHBondContact O-N 3.05Å; T162-Q166 PolarHBondContact O-N 3.27Å; T162-Q166 VanDerWaalsContact O-N 3.15Å |
| 163 | G | 91.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 84.2 Ų | 84.2 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.3 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K157 D160 D161 K165 Q166 L167 | K157-G163 CarbonylContact O-C 3.57Å; K157-G163 WeakPolarHBondContact O-CA 3.33Å; D160-G163 WeakPolarHBondContact O-CA 3.25Å; D160-G163 PolarHBondContact O-N 3.35Å; D161-G163 VanDerWaalsContact C-N 3.33Å; G163-K165 PolarHBondContact O-N 3.29Å; G163-Q166 WeakPolarHBondContact O-CB 3.3Å; G163-Q166 PolarHBondContact O-N 3.47Å; G163-Q166 VanDerWaalsContact O-N 3.09Å; G163-L167 WeakPolarHBondContact O-CG 3.34Å; G163-L167 PolarHBondContact O-N 2.83Å |
| 164 | K | 92.5 | Very high | 92.7 | Very high | 85 Ų | 85 | 76 Ų | 76 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57 | -47.1 | 172.2 | -69 | 179 | -174 | 169.7 | 0 | 111.9 | K157 W158 D160 Q166 L167 E168 | K157-K164 PolarHBondContact O-N 3.49Å; W158-K164 WeakPolarHBondContact O-CE 3.45Å; W158-K164 WeakPolarHBondContact O-CG 3.43Å; D160-K164 PolarHBondContact O-N 3.21Å; K164-Q166 VanDerWaalsContact C-N 3.27Å; K164-Q166 PolarHBondContact O-N 2.92Å; K164-L167 WeakPolarHBondContact O-CB 3.5Å; K164-L167 PolarHBondContact O-N 3.39Å; K164-L167 VanDerWaalsContact O-N 3.09Å; K164-E168 WeakPolarHBondContact O-CG 3.28Å; K164-E168 PolarHBondContact O-N 3.27Å |
| 165 | K | 94.4 | Very high | 92.9 | Very high | 134 Ų | 134 | 81.8 Ų | 81.8 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.7 | -36.1 | 174.9 | -71.3 | 175.9 | -175.5 | 178.7 | 0 | 112.6 | D161 G163 K169 | D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 2.92Å; G163-K165 PolarHBondContact O-N 3.29Å; K165-K169 VanDerWaalsContact O-CG 3.28Å; K165-K169 WeakPolarHBondContact O-CG 3.38Å; K165-K169 PolarHBondContact O-N 3.35Å; K165-K169 VanDerWaalsContact O-N 3.16Å |
| 166 | Q | 93 | Very high | 93.2 | Very high | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 175.1 | -173.2 | 170.8 | 36.6 | 0 | 0 | 111.5 | T162 G163 K164 K169 D170 | T162-Q166 PolarHBondContact O-N 3.27Å; T162-Q166 VanDerWaalsContact O-N 3.15Å; G163-Q166 WeakPolarHBondContact O-CB 3.3Å; G163-Q166 PolarHBondContact O-N 3.47Å; G163-Q166 VanDerWaalsContact O-N 3.09Å; K164-Q166 VanDerWaalsContact C-N 3.27Å; K164-Q166 PolarHBondContact O-N 2.92Å; Q166-K169 WeakPolarHBondContact O-CB 3.48Å; Q166-K169 PolarHBondContact O-N 2.72Å; Q166-D170 PolarHBondContact O-N 2.82Å |
| 167 | L | 93.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 86.7 Ų | 86.7 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.8 | -70.5 | 162.6 | 0 | 0 | 0 | 111.9 | V126 Y154 W158 G163 K164 K169 D170 F171 | V126-L167 HydrophobicContact CG1-CD2 3.91Å; Y154-L167 WeakPolarHBondContact OH-CD2 3.42Å; W158-L167 HydrophobicContact CD2-CD1 3.39Å; W158-L167 VanDerWaalsContact CE2-CD1 3.41Å; W158-L167 HydrophobicContact CE3-CD1 3.7Å; W158-L167 HydrophobicContact CG-CD1 3.86Å; W158-L167 HydrophobicContact CH2-CD1 4.05Å; W158-L167 HydrophobicContact CZ2-CD1 3.76Å; W158-L167 HydrophobicContact CZ2-CD2 4.14Å; W158-L167 HydrophobicContact CZ2-CG 4.45Å; W158-L167 HydrophobicContact CZ3-CD1 4.01Å; G163-L167 WeakPolarHBondContact O-CG 3.34Å; G163-L167 PolarHBondContact O-N 2.83Å; K164-L167 WeakPolarHBondContact O-CB 3.5Å; K164-L167 PolarHBondContact O-N 3.39Å; K164-L167 VanDerWaalsContact O-N 3.09Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 2.7Å; L167-D170 CarbonylContact O-C 3.53Å; L167-D170 WeakPolarHBondContact O-CA 3.49Å; L167-D170 WeakPolarHBondContact O-CB 3.47Å; L167-D170 PolarHBondContact O-N 2.78Å; L167-F171 HydrophobicContact CB-CE2 4.39Å; L167-F171 WeakPolarHBondContact O-CD2 3.36Å; L167-F171 PolarHBondContact O-N 3.34Å |
| 168 | E | 94.3 | Very high | 93.5 | Very high | 116 Ų | 116 | 83.6 Ų | 83.6 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 174.4 | -73.1 | 173.6 | -178.6 | 0 | 0 | 112.1 | K164 D170 F171 N172 | K164-E168 WeakPolarHBondContact O-CG 3.28Å; K164-E168 PolarHBondContact O-N 3.27Å; E168-D170 VanDerWaalsContact C-N 3.29Å; E168-D170 PolarHBondContact O-N 3.16Å; E168-F171 PolarHBondContact O-N 3.12Å; E168-N172 WeakPolarHBondContact O-CB 3.46Å; E168-N172 VanDerWaalsContact O-CG 3.29Å; E168-N172 PolarHBondContact O-N 3.14Å; E168-N172 PolarHBondContact O-ND2 3.2Å |
| 169 | K | 95.2 | Very high | 93.5 | Very high | 145 Ų | 145 | 86 Ų | 86 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 172.7 | -73.3 | 174.3 | -176.2 | -176.5 | 0 | 111.7 | K165 Q166 L167 S173 | K165-K169 VanDerWaalsContact O-CG 3.28Å; K165-K169 WeakPolarHBondContact O-CG 3.38Å; K165-K169 PolarHBondContact O-N 3.35Å; K165-K169 VanDerWaalsContact O-N 3.16Å; Q166-K169 WeakPolarHBondContact O-CB 3.48Å; Q166-K169 PolarHBondContact O-N 2.72Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 2.7Å; K169-S173 WeakPolarHBondContact O-CB 3.44Å; K169-S173 PolarHBondContact O-N 2.7Å; K169-S173 PolarHBondContact O-OG 3.34Å |
| 170 | D | 94.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.4 | -71.1 | -19.7 | 0 | 0 | 0 | 111.3 | K124 V126 Q166 L167 E168 N172 S173 M174 | K124-D170 HydrophobicContact CD-CB 4.05Å; K124-D170 WeakPolarHBondContact CD-OD1 3.42Å; K124-D170 WeakPolarHBondContact CE-OD1 3.27Å; K124-D170 IonicContact NZ-OD1 2.67Å; K124-D170 PolarHBondContact NZ-OD1 2.74Å; V126-D170 HydrophobicContact CG2-CB 4.22Å; Q166-D170 PolarHBondContact O-N 2.82Å; L167-D170 CarbonylContact O-C 3.53Å; L167-D170 WeakPolarHBondContact O-CA 3.49Å; L167-D170 WeakPolarHBondContact O-CB 3.47Å; L167-D170 PolarHBondContact O-N 2.78Å; E168-D170 VanDerWaalsContact C-N 3.29Å; E168-D170 PolarHBondContact O-N 3.16Å; D170-N172 PolarHBondContact O-N 2.93Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 3.08Å; D170-M174 VanDerWaalsContact O-CG 3.26Å; D170-M174 WeakPolarHBondContact O-CG 3.31Å; D170-M174 PolarHBondContact O-N 2.95Å |
| 171 | F | 95.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 83.1 Ų | 83.1 | 27% | 0.268 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.7 | -74.9 | -62.2 | 0 | 0 | 0 | 112.4 | V126 W158 L167 E168 S173 M174 K175 | V126-F171 HydrophobicContact CB-CE1 4.3Å; V126-F171 HydrophobicContact CB-CZ 4.34Å; V126-F171 HydrophobicContact CG1-CE1 3.98Å; V126-F171 HydrophobicContact CG1-CE2 4.1Å; V126-F171 HydrophobicContact CG1-CZ 3.52Å; V126-F171 HydrophobicContact CG2-CE1 4.47Å; W158-F171 AromaticContact CH2-CE2 3.9Å; W158-F171 HydrophobicContact CH2-CE2 3.9Å; W158-F171 HydrophobicContact CH2-CZ 4.16Å; L167-F171 HydrophobicContact CB-CE2 4.39Å; L167-F171 WeakPolarHBondContact O-CD2 3.36Å; L167-F171 PolarHBondContact O-N 3.34Å; E168-F171 PolarHBondContact O-N 3.12Å; F171-S173 VanDerWaalsContact C-N 3.33Å; F171-S173 PolarHBondContact O-N 2.95Å; F171-M174 PolarHBondContact O-N 3.28Å; F171-K175 WeakPolarHBondContact O-CG 3.39Å; F171-K175 PolarHBondContact O-N 2.88Å |
| 172 | N | 95.9 | Very high | 93.9 | Very high | 99 Ų | 99 | 81.3 Ų | 81.3 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177 | -70.8 | -21.5 | 0 | 0 | 0 | 111.7 | E168 D170 M174 K175 K176 | E168-N172 WeakPolarHBondContact O-CB 3.46Å; E168-N172 VanDerWaalsContact O-CG 3.29Å; E168-N172 PolarHBondContact O-N 3.14Å; E168-N172 PolarHBondContact O-ND2 3.2Å; D170-N172 PolarHBondContact O-N 2.93Å; N172-M174 VanDerWaalsContact C-N 3.33Å; N172-M174 PolarHBondContact O-N 2.98Å; N172-K175 PolarHBondContact O-N 2.88Å; N172-K176 WeakPolarHBondContact O-CB 3.44Å; N172-K176 PolarHBondContact O-N 2.81Å |
| 173 | S | 94.8 | Very high | 94 | Very high | 27 Ų | 27 | 79.9 Ų | 79.9 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.6 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | K169 D170 F171 K176 Y177 | K169-S173 WeakPolarHBondContact O-CB 3.44Å; K169-S173 PolarHBondContact O-N 2.7Å; K169-S173 PolarHBondContact O-OG 3.34Å; D170-S173 WeakPolarHBondContact O-CB 3.38Å; D170-S173 PolarHBondContact O-N 3.08Å; F171-S173 VanDerWaalsContact C-N 3.33Å; F171-S173 PolarHBondContact O-N 2.95Å; S173-K176 PolarHBondContact O-N 2.94Å; S173-Y177 VanDerWaalsContact O-CD2 3.27Å; S173-Y177 WeakPolarHBondContact O-CD2 3.26Å; S173-Y177 PolarHBondContact O-N 3.34Å |
| 174 | M | 95.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 82.3 Ų | 82.3 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 178 | -71.1 | 172.1 | 98.4 | 0 | 0 | 111.2 | I110 K124 V126 D170 F171 N172 K176 C178 | I110-M174 HydrophobicContact CG2-CE 3.97Å; K124-M174 HydrophobicContact CB-CG 4.31Å; K124-M174 HydrophobicContact CB-SD 4.46Å; K124-M174 WeakPolarHBondContact O-CE 3.36Å; V126-M174 HydrophobicContact CG2-SD 3.77Å; D170-M174 VanDerWaalsContact O-CG 3.26Å; D170-M174 WeakPolarHBondContact O-CG 3.31Å; D170-M174 PolarHBondContact O-N 2.95Å; F171-M174 PolarHBondContact O-N 3.28Å; N172-M174 VanDerWaalsContact C-N 3.33Å; N172-M174 PolarHBondContact O-N 2.98Å; M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 3.01Å; M174-C178 WeakPolarHBondContact O-CB 3.41Å; M174-C178 PolarHBondContact O-N 3.13Å |
| 175 | K | 94.1 | Very high | 94.2 | Very high | 165 Ų | 165 | 79.9 Ų | 79.9 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.6 | -37.2 | 176.1 | -70.7 | 177.5 | -179.1 | 179.3 | 0 | 112.6 | F171 N172 | F171-K175 WeakPolarHBondContact O-CG 3.39Å; F171-K175 PolarHBondContact O-N 2.88Å; N172-K175 PolarHBondContact O-N 2.88Å |
| 176 | K | 95 | Very high | 94.1 | Very high | 153 Ų | 153 | 73.8 Ų | 73.8 | 67% | 0.665 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -77.4 | -43.3 | -176.7 | -172.8 | 176.7 | -179.8 | -175.1 | 0 | 113.6 | N172 S173 M174 | N172-K176 WeakPolarHBondContact O-CB 3.44Å; N172-K176 PolarHBondContact O-N 2.81Å; S173-K176 PolarHBondContact O-N 2.94Å; M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 3.01Å |
| 177 | Y | 93.8 | Very high | 94 | Very high | 122 Ų | 122 | 69.2 Ų | 69.2 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -107.5 | -26.8 | -167.6 | -61.9 | -64.6 | 0 | 0 | 0 | 114.5 | F123 S173 | F123-Y177 HydrophobicContact CE1-CD2 4.28Å; F123-Y177 HydrophobicContact CZ-CD2 4.01Å; S173-Y177 VanDerWaalsContact O-CD2 3.27Å; S173-Y177 WeakPolarHBondContact O-CD2 3.26Å; S173-Y177 PolarHBondContact O-N 3.34Å |
| 178 | C | 93.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 75.2 Ų | 75.2 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | trans | -84.8 | 124.4 | -173.9 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | G112 Y113 M174 | G112-C178 VanDerWaalsContact CA-SG 3.58Å; Y113-C178 VanDerWaalsContact O-CA 3.27Å; Y113-C178 WeakPolarHBondContact O-CA 3.4Å; Y113-C178 WeakPolarHBondContact O-CB 3.25Å; M174-C178 WeakPolarHBondContact O-CB 3.41Å; M174-C178 PolarHBondContact O-N 3.13Å | ||
| 179 | Q | 91.2 | Very high | 93.4 | Very high | 106 Ų | 106 | 73.2 Ų | 73.2 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -79.1 | -29.3 | 169.5 | -59.6 | 107.2 | -14.3 | 0 | 0 | 112 | Y113 | Y113-Q179 PolarHBondContact O-N 3.44Š|
| 180 | V | 93.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 30% | 0.297 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.6 | -176.7 | -179.8 | 0 | 0 | 0 | 0 | 110 | Y113 L120 R182 | Y113-V180 PolarHBondContact N-O 3.26Å; Y113-V180 PolarHBondContact O-N 2.7Å; L120-V180 HydrophobicContact CD2-CG2 4.34Å; V180-R182 HydrophobicContact CG1-CG 4.16Å |
| 181 | I | 93.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 71.4 Ų | 71.4 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.9 | 174.7 | -60.4 | 179 | 0 | 0 | 0 | 108.4 | I110 | I110-I181 HydrophobicContact CG2-CG2 3.28Å |
| 182 | R | 95.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 72 Ų | 72 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.7 | 176.2 | -61 | -170.3 | -176.5 | 161.7 | -1.7 | 110.6 | I110 V111 Y113 V180 | I110-R182 CarbonylContact C-O 3.57Å; I110-R182 WeakPolarHBondContact CA-O 3.27Å; V111-R182 PolarHBondContact N-O 2.75Å; V111-R182 PolarHBondContact O-N 2.88Å; Y113-R182 HydrophobicContact CD2-CB 4.48Å; Y113-R182 HydrophobicContact CD2-CG 4.02Å; Y113-R182 HydrophobicContact CE2-CB 4.04Å; Y113-R182 HydrophobicContact CE2-CG 3.82Å; V180-R182 HydrophobicContact CG1-CG 4.16Å |
| 183 | I | 95.1 | Very high | 93 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.1 | 177.4 | -64.8 | 167.1 | 0 | 0 | 0 | 109.6 | L64 V107 A185 | L64-I183 HydrophobicContact CD2-CD1 3.8Å; V107-I183 HydrophobicContact CB-CG2 4Å; V107-I183 HydrophobicContact CG1-CG2 3.27Å; V107-I183 HydrophobicContact CG2-CG2 3.66Å; I183-A185 HydrophobicContact CG2-CB 4.46Å |
| 184 | I | 94.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 111.5 | 166 | -57.9 | 173.5 | 0 | 0 | 0 | 106.8 | V108 G109 V111 F127 | V108-I184 PolarHBondContact N-O 2.95Å; G109-I184 PolarHBondContact N-O 2.76Å; G109-I184 PolarHBondContact O-N 2.85Å; V111-I184 HydrophobicContact CG2-CD1 3.5Å; V111-I184 HydrophobicContact CG2-CG1 3.6Å; F127-I184 HydrophobicContact CE1-CD1 3.84Å; F127-I184 HydrophobicContact CZ-CD1 4Å |
| 185 | A | 93.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 78.1 Ų | 78.1 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | M105 V106 V107 I183 | M105-A185 HydrophobicContact CE-CB 3.58Å; V106-A185 VanDerWaalsContact O-CA 3.32Å; V106-A185 WeakPolarHBondContact O-CA 3.45Å; V107-A185 HydrophobicContact CG2-CB 4.4Å; I183-A185 HydrophobicContact CG2-CB 4.46Å |
| 186 | H | 91.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.2 | 172 | 81.1 | 101.4 | 0 | 0 | 0 | 110.5 | M105 V106 V108 S132 | M105-H186 CarbonylContact C-O 3.52Å; M105-H186 WeakPolarHBondContact CA-O 3.33Å; V106-H186 PolarHBondContact N-O 2.66Å; V106-H186 PolarHBondContact O-CD2 3.3Å; V106-H186 PolarHBondContact O-N 3.06Å; V108-H186 WeakPolarHBondContact CG2-CD2 3.42Å; S132-H186 PolarHBondContact OG-CE1 2.85Å; S132-H186 PolarHBondContact OG-NE2 3.42Å |
| 187 | T | 91 | Very high | 92.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147.2 | 165.1 | 66.7 | 0 | 0 | 0 | 0 | 108.8 | L68 Y70 M105 R138 | L68-T187 HydrophobicContact CB-CG2 3.61Å; L68-T187 HydrophobicContact CD1-CG2 4.04Å; L68-T187 HydrophobicContact CG-CG2 4.5Å; Y70-T187 HydrophobicContact CE2-CG2 4.01Å; Y70-T187 PolarHBondContact OH-OG1 3.09Å; M105-T187 HydrophobicContact CG-CG2 4.22Å; R138-T187 PolarHBondContact NH2-O 3.08Å; R138-T187 PolarHBondContact NH2-OG1 3.45Å |
| 188 | Q | 82.4 | Confident | 92.3 | Very high | 133 Ų | 133 | 59.4 Ų | 59.4 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | trans | -56.4 | 0 | 157 | -62.7 | 177 | 7.5 | 0 | 0 | 109.2 | V106 | V106-Q188 HydrophobicContact CG2-CG 4.05Š|
Retrieved 188 of 188 residues in 697.4 ms
(Link to these results)