| 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 | 26.7 | Very low | 27.6 | Very low | 225 Ų | 225 | 183.3 Ų | 183.3 | 100% | 1.108 | 85% | 0.848 | S | S | * | * | 0 | 104.4 | 0 | -80.3 | -170 | -80.3 | 0 | 0 | 107.5 | |||||
| 2 | E | 23.9 | Very low | 27.3 | Very low | 184 Ų | 184 | 173.2 Ų | 173.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -88.6 | 116.9 | -175.8 | -162.7 | 169.1 | -160.6 | 0 | 0 | 108.8 | H4 | E2-H4 PolarHBondContact O-N 2.92Š| ||
| 3 | F | 28.8 | Very low | 27.4 | Very low | 183 Ų | 183 | 175.4 Ų | 175.4 | 80% | 0.803 | 83% | 0.828 | S | S | * | * | trans | -83.7 | 103.6 | -178.8 | -82.1 | -89 | 0 | 0 | 0 | 109.5 | R5 | F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | H | 28.7 | Very low | 27.2 | Very low | 172 Ų | 172 | 177.3 Ų | 177.3 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | trans | -57.9 | 109.5 | 172.8 | -85.1 | -79 | 0 | 0 | 0 | 110.9 | E2 N6 | E2-H4 PolarHBondContact O-N 2.92Å; H4-N6 PolarHBondContact O-N 3.26Å; H4-N6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | R | 29.8 | Very low | 27.4 | Very low | 239 Ų | 239 | 172.5 Ų | 172.5 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 16.4 | -172.5 | -72.3 | -171.5 | 179.6 | -166 | -0.5 | 116.1 | F3 | F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.08Å |
| 6 | N | 30 | Very low | 27.3 | Very low | 143 Ų | 143 | 167.6 Ų | 167.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 0.7 | -172.7 | -72 | 1.2 | 0 | 0 | 0 | 115.5 | H4 I8 | H4-N6 PolarHBondContact O-N 3.26Å; H4-N6 VanDerWaalsContact O-N 3.09Å; N6-I8 PolarHBondContact O-N 3.11Å |
| 7 | N | 28.1 | Very low | 27.4 | Very low | 150 Ų | 150 | 164.8 Ų | 164.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -94.9 | 103.5 | 172.1 | -75.2 | 1.6 | 0 | 0 | 0 | 110.1 | R9 | N7-R9 PolarHBondContact O-N 3.25Å; N7-R9 VanDerWaalsContact O-N 3.08Å |
| 8 | I | 27.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 165.9 Ų | 165.9 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -40.9 | 113.6 | 168.5 | -64.3 | 162.3 | 0 | 0 | 0 | 108.4 | N6 Q10 | N6-I8 PolarHBondContact O-N 3.11Å; I8-Q10 PolarHBondContact O-N 2.79Å | ||
| 9 | R | 25 | Very low | 27.6 | Very low | 230 Ų | 230 | 163.2 Ų | 163.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -60.4 | 102 | 174.3 | -77.4 | -176.3 | -173.6 | -134.9 | 2.5 | 107.8 | N7 I11 | N7-R9 PolarHBondContact O-N 3.25Å; N7-R9 VanDerWaalsContact O-N 3.08Å; R9-I11 PolarHBondContact O-N 3.5Å | ||
| 10 | Q | 27.6 | Very low | 27.5 | Very low | 190 Ų | 190 | 162.5 Ų | 162.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -63.8 | 103.9 | 166.2 | -136 | 174.1 | 15.6 | 0 | 0 | 106 | I8 G12 | I8-Q10 PolarHBondContact O-N 2.79Å; Q10-G12 PolarHBondContact O-N 2.91Å | ||
| 11 | I | 27.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 158.9 Ų | 158.9 | 70% | 0.703 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 79.4 | 172.9 | -58 | 165.7 | 0 | 0 | 0 | 106.3 | R9 Y13 | R9-I11 PolarHBondContact O-N 3.5Å; I11-Y13 PolarHBondContact O-N 3.21Å | ||
| 12 | G | 24.8 | Very low | 27.5 | Very low | 62 Ų | 62 | 152.8 Ų | 152.8 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | -74.5 | 111.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108 | Q10 F14 | Q10-G12 PolarHBondContact O-N 2.91Å; G12-F14 PolarHBondContact O-N 3.35Å | ||
| 13 | Y | 28.5 | Very low | 27.6 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -61.5 | 118.5 | 170.3 | -66.1 | -88.4 | 0 | 0 | 0 | 108.3 | I11 T15 | I11-Y13 PolarHBondContact O-N 3.21Å; Y13-T15 VanDerWaalsContact C-N 3.34Å; Y13-T15 PolarHBondContact O-N 2.75Å | ||
| 14 | F | 24.6 | Very low | 27.5 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 96.4 | 168 | -118.7 | -93.1 | 0 | 0 | 0 | 107 | G12 P16 | G12-F14 PolarHBondContact O-N 3.35Å; F14-P16 WeakPolarHBondContact O-CD 3.26Å | ||
| 15 | T | 29.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | -69.5 | 118.8 | 157.4 | 39.2 | 0 | 0 | 0 | 0 | 105.7 | Y13 T17 | Y13-T15 VanDerWaalsContact C-N 3.34Å; Y13-T15 PolarHBondContact O-N 2.75Å; T15-T17 VanDerWaalsContact C-N 3.26Å; T15-T17 PolarHBondContact O-N 2.77Å | ||
| 16 | P | 26.9 | Very low | 27.4 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | trans | -63.5 | 96.1 | 173.9 | 24 | -29.6 | 0 | 0 | 0 | 107.6 | F14 Y18 | F14-P16 WeakPolarHBondContact O-CD 3.26Å; P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 WeakPolarHBondContact O-CD2 3.47Å; P16-Y18 PolarHBondContact O-N 2.95Å | ||
| 17 | T | 29.1 | Very low | 27.2 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -68.9 | 98.2 | 163.4 | 37.9 | 0 | 0 | 0 | 0 | 105.4 | T15 S19 | T15-T17 VanDerWaalsContact C-N 3.26Å; T15-T17 PolarHBondContact O-N 2.77Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.86Å | ||
| 18 | Y | 28.3 | Very low | 27.4 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | trans | -51.5 | 99.6 | 170.7 | -65.9 | -88.4 | 0 | 0 | 0 | 108.1 | P16 N20 S21 | P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 WeakPolarHBondContact O-CD2 3.47Å; P16-Y18 PolarHBondContact O-N 2.95Å; Y18-N20 PolarHBondContact O-N 2.98Å; Y18-N20 VanDerWaalsContact O-N 3.15Å; Y18-S21 PolarHBondContact O-N 2.76Å; Y18-S21 PolarHBondContact O-OG 3.22Å | ||
| 19 | S | 29.6 | Very low | 27.9 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 2.8 | -179.4 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | T17 | T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 2.86Å |
| 20 | N | 25.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 25.2 | 176.4 | -68.1 | 2.6 | 0 | 0 | 0 | 112.4 | Y18 | Y18-N20 PolarHBondContact O-N 2.98Å; Y18-N20 VanDerWaalsContact O-N 3.15Å |
| 21 | S | 28.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -55 | 124.7 | 163.2 | -61.8 | 0 | 0 | 0 | 0 | 108 | Y18 N23 | Y18-S21 PolarHBondContact O-N 2.76Å; Y18-S21 PolarHBondContact O-OG 3.22Å; S21-N23 PolarHBondContact O-N 2.72Å | ||
| 22 | P | 26.1 | Very low | 28.9 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | trans | -54.2 | 142.9 | -174.6 | 20 | -29.9 | 0 | 0 | 0 | 109 | I24 | P22-I24 HydrophobicContact CG-CG1 4.48Å; P22-I24 WeakPolarHBondContact O-CG1 3.48Å; P22-I24 PolarHBondContact O-N 3.1Å | ||
| 23 | N | 25.3 | Very low | 29.2 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 92% | 0.92 | 74% | 0.739 | S | S | * | * | trans | -67.1 | 71.1 | -177.9 | -140.9 | -2.1 | 0 | 0 | 0 | 108.7 | S21 K25 | S21-N23 PolarHBondContact O-N 2.72Å; N23-K25 PolarHBondContact O-N 3.33Å; N23-K25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | I | 27.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | trans | -65.7 | 113 | 177.4 | -63.7 | 165.6 | 0 | 0 | 0 | 104.7 | P22 R26 | P22-I24 HydrophobicContact CG-CG1 4.48Å; P22-I24 WeakPolarHBondContact O-CG1 3.48Å; P22-I24 PolarHBondContact O-N 3.1Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 WeakPolarHBondContact O-CG 3.46Å; I24-R26 PolarHBondContact O-N 3.14Å | ||
| 25 | K | 26.1 | Very low | 29.2 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -53.4 | 100 | 172.1 | -74.7 | -178.6 | 175.3 | 177.5 | 0 | 107.4 | N23 Y27 | N23-K25 PolarHBondContact O-N 3.33Å; N23-K25 VanDerWaalsContact O-N 3.08Å; K25-Y27 PolarHBondContact O-N 2.87Å | ||
| 26 | R | 28.7 | Very low | 29.2 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 79% | 0.789 | 72% | 0.72 | S | S | * | * | trans | -69.9 | 118.9 | -177 | -59.1 | -173.1 | -165.4 | -151.1 | 1.7 | 107.6 | I24 | I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 WeakPolarHBondContact O-CG 3.46Å; I24-R26 PolarHBondContact O-N 3.14Å | ||
| 27 | Y | 26.5 | Very low | 29.5 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -62.8 | 129.5 | 172.3 | -76.9 | -91.1 | 0 | 0 | 0 | 108.9 | K25 D29 | K25-Y27 PolarHBondContact O-N 2.87Å; Y27-D29 PolarHBondContact O-N 2.77Å; Y27-D29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | P | 33.4 | Very low | 29.7 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -65.2 | -18 | -168.7 | 22 | -31.8 | 0 | 0 | 0 | 114.8 | L30 | P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.69Å |
| 29 | D | 37.4 | Very low | 29.8 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -77.7 | -9.1 | -170.9 | -81.4 | -13.4 | 0 | 0 | 0 | 115.7 | Y27 | Y27-D29 PolarHBondContact O-N 2.77Å; Y27-D29 VanDerWaalsContact O-N 3.15Å |
| 30 | L | 37.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -101.7 | 4.8 | 179.5 | -76.9 | 156.6 | 0 | 0 | 0 | 113.9 | P28 S32 | P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.69Å; L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.75Å |
| 31 | L | 32.2 | Very low | 30 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -17.3 | -178.4 | -131.1 | 77.7 | 0 | 0 | 0 | 114 | N33 | L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 2.74Å |
| 32 | S | 31.2 | Very low | 30 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -21.5 | -175.8 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | L30 | L30-S32 VanDerWaalsContact C-N 3.28Å; L30-S32 PolarHBondContact O-N 2.75Å |
| 33 | N | 30.2 | Very low | 29.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -112.3 | 4.5 | -174.1 | -72.3 | -16.9 | 0 | 0 | 0 | 114.6 | L31 Q35 | L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 2.74Å; N33-Q35 PolarHBondContact O-N 3.45Å |
| 34 | Y | 27.6 | Very low | 30.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 64% | 0.635 | 68% | 0.682 | S | S | * | * | trans | -85.7 | 78.6 | 177.3 | -147.8 | -92.2 | 0 | 0 | 0 | 110.8 | E37 | Y34-E37 HydrophobicContact CE1-CG 4.26Å; Y34-E37 PolarHBondContact OH-OE1 3.27Å; Y34-E37 VanDerWaalsContact OH-OE1 3.05Å | ||
| 35 | Q | 25.9 | Very low | 30.3 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | -70.9 | 129.3 | 165.8 | -72.8 | -167.3 | -31 | 0 | 0 | 109.1 | N33 E37 | N33-Q35 PolarHBondContact O-N 3.45Å; Q35-E37 PolarHBondContact O-N 3.15Å | ||
| 36 | S | 28.6 | Very low | 30.4 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 52% | 0.524 | 67% | 0.667 | S | S | . | * | trans | -44.8 | 135.8 | -174.6 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | S38 Y39 | S36-S38 PolarHBondContact O-N 2.88Å; S36-S38 PolarHBondContact O-OG 3.01Å; S36-S38 PolarHBondContact OG-OG 3.13Å; S36-Y39 PolarHBondContact O-N 3.31Å; S36-Y39 VanDerWaalsContact O-N 3.13Å | ||
| 37 | E | 33.9 | Very low | 30.3 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -53.6 | -1.7 | -178.5 | -63.8 | 177.8 | 151.2 | 0 | 0 | 115.6 | Y34 Q35 Y39 G40 | Y34-E37 HydrophobicContact CE1-CG 4.26Å; Y34-E37 PolarHBondContact OH-OE1 3.27Å; Y34-E37 VanDerWaalsContact OH-OE1 3.05Å; Q35-E37 PolarHBondContact O-N 3.15Å; E37-Y39 PolarHBondContact O-N 3.1Å; E37-G40 PolarHBondContact O-N 3.14Å |
| 38 | S | 33.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -59.3 | -22.8 | 165.4 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | S36 | S36-S38 PolarHBondContact O-N 2.88Å; S36-S38 PolarHBondContact O-OG 3.01Å; S36-S38 PolarHBondContact OG-OG 3.13Å |
| 39 | Y | 30 | Very low | 30.3 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -99 | -5.9 | 172.9 | -70.3 | -81.5 | 0 | 0 | 0 | 113.8 | S36 E37 L41 | S36-Y39 PolarHBondContact O-N 3.31Å; S36-Y39 VanDerWaalsContact O-N 3.13Å; E37-Y39 PolarHBondContact O-N 3.1Å; Y39-L41 PolarHBondContact O-N 3.06Å |
| 40 | G | 27.3 | Very low | 29.8 | Very low | 27 Ų | 27 | 120.3 Ų | 120.3 | 28% | 0.278 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.6 | -20.8 | -155 | 0 | 0 | 0 | 0 | 0 | 118 | E37 | E37-G40 PolarHBondContact O-N 3.14Å |
| 41 | L | 31.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 81% | 0.806 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -95.7 | -22.1 | -175.9 | -73.1 | 175.3 | 0 | 0 | 0 | 114.9 | Y39 T45 | Y39-L41 PolarHBondContact O-N 3.06Å; L41-T45 PolarHBondContact O-OG1 2.68Å |
| 42 | N | 29.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -89.6 | -27.4 | 180 | -80.8 | -15.4 | 0 | 0 | 0 | 113.4 | ||
| 43 | Y | 25 | Very low | 29.4 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -93 | -31.3 | -176.1 | -110.5 | -87.6 | 0 | 0 | 0 | 114.3 | T45 Q46 L47 | Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.35Å; Y43-Q46 PolarHBondContact O-N 3.37Å; Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD1-CG 4.23Å; Y43-L47 PolarHBondContact O-N 3.26Å; Y43-L47 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 28.6 | Very low | 29.5 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68 | -33.4 | -177 | -123.2 | 114.9 | 0 | 0 | 0 | 112.3 | H48 | L44-H48 WeakPolarHBondContact O-CB 3.13Å; L44-H48 PolarHBondContact O-N 3.04Å |
| 45 | T | 31.6 | Very low | 29.8 | Very low | 86 Ų | 86 | 117.3 Ų | 117.3 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.2 | -35.5 | 176.9 | 44 | 0 | 0 | 0 | 0 | 112.3 | L41 Y43 M49 | L41-T45 PolarHBondContact O-OG1 2.68Å; Y43-T45 VanDerWaalsContact C-N 3.31Å; Y43-T45 PolarHBondContact O-N 3.35Å; T45-M49 WeakPolarHBondContact O-CB 2.84Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 3.37Å |
| 46 | Q | 28.2 | Very low | 30 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.8 | -43.1 | -178.1 | -68 | -176.1 | 12.7 | 0 | 0 | 113.4 | Y43 M49 A50 | Y43-Q46 PolarHBondContact O-N 3.37Å; Q46-M49 PolarHBondContact O-N 3.19Å; Q46-A50 WeakPolarHBondContact O-CB 3.05Å; Q46-A50 PolarHBondContact O-N 2.71Å |
| 47 | L | 26.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 59% | 0.586 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -38.8 | -178.9 | -79 | 171.6 | 0 | 0 | 0 | 112.3 | Y43 M49 A50 Y51 | Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD1-CG 4.23Å; Y43-L47 PolarHBondContact O-N 3.26Å; Y43-L47 VanDerWaalsContact O-N 3.14Å; L47-M49 VanDerWaalsContact C-N 3.34Å; L47-A50 PolarHBondContact O-N 2.59Å; L47-Y51 PolarHBondContact O-N 3.47Å |
| 48 | H | 31.8 | Very low | 29.6 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.6 | -33.3 | 179.6 | -139 | 90.6 | 0 | 0 | 0 | 111.8 | L44 H52 | L44-H48 WeakPolarHBondContact O-CB 3.13Å; L44-H48 PolarHBondContact O-N 3.04Å; H48-H52 AromaticContact CD2-CD2 3.79Å; H48-H52 AromaticContact NE2-NE2 3.77Å; H48-H52 PolarHBondContact O-CD2 2.84Å |
| 49 | M | 27.9 | Very low | 29.2 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -46.3 | 169.5 | -77.8 | -177 | 48.2 | 0 | 0 | 111.6 | T45 Q46 L47 Y51 H52 F53 | T45-M49 WeakPolarHBondContact O-CB 2.84Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 3.37Å; Q46-M49 PolarHBondContact O-N 3.19Å; L47-M49 VanDerWaalsContact C-N 3.34Å; M49-Y51 PolarHBondContact O-N 2.85Å; M49-H52 PolarHBondContact O-N 3.2Å; M49-F53 HydrophobicContact CB-CD2 4.46Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CE-CE2 3.79Å; M49-F53 HydrophobicContact CE-CZ 3.9Å; M49-F53 WeakPolarHBondContact O-CD2 3.32Å; M49-F53 PolarHBondContact O-N 3Å; M49-F53 VanDerWaalsContact O-N 3.17Å |
| 50 | A | 28.1 | Very low | 29 | Very low | 59 Ų | 59 | 120.2 Ų | 120.2 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.2 | -43 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q46 L47 H52 F53 | Q46-A50 WeakPolarHBondContact O-CB 3.05Å; Q46-A50 PolarHBondContact O-N 2.71Å; L47-A50 PolarHBondContact O-N 2.59Å; A50-H52 VanDerWaalsContact C-N 3.26Å; A50-H52 PolarHBondContact O-N 2.66Å; A50-F53 PolarHBondContact O-N 3.3Å |
| 51 | Y | 31 | Very low | 28.9 | Very low | 203 Ų | 203 | 128 Ų | 128 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.6 | -22.8 | -176.7 | -137.8 | -89 | 0 | 0 | 0 | 113.6 | L47 M49 | L47-Y51 PolarHBondContact O-N 3.47Å; M49-Y51 PolarHBondContact O-N 2.85Å |
| 52 | H | 30.3 | Very low | 28.6 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 36% | 0.356 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -102.9 | -5.5 | 179.7 | -69.2 | -63.7 | 0 | 0 | 0 | 114.3 | H48 M49 A50 P54 N55 Y56 | H48-H52 AromaticContact CD2-CD2 3.79Å; H48-H52 AromaticContact NE2-NE2 3.77Å; H48-H52 PolarHBondContact O-CD2 2.84Å; M49-H52 PolarHBondContact O-N 3.2Å; A50-H52 VanDerWaalsContact C-N 3.26Å; A50-H52 PolarHBondContact O-N 2.66Å; H52-P54 VanDerWaalsContact C-CD 3.41Å; H52-N55 PolarHBondContact O-N 2.97Å; H52-Y56 HydrophobicContact CB-CD2 4.43Å; H52-Y56 HydrophobicContact CB-CE2 3.86Å; H52-Y56 WeakPolarHBondContact O-CD2 3.44Å; H52-Y56 PolarHBondContact O-N 2.99Å |
| 53 | F | 30.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 126 Ų | 126 | 50% | 0.5 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -54.6 | -36 | 176.7 | -96.2 | -70.7 | 0 | 0 | 0 | 115.6 | M49 A50 N55 Y56 | M49-F53 HydrophobicContact CB-CD2 4.46Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CE-CE2 3.79Å; M49-F53 HydrophobicContact CE-CZ 3.9Å; M49-F53 WeakPolarHBondContact O-CD2 3.32Å; M49-F53 PolarHBondContact O-N 3Å; M49-F53 VanDerWaalsContact O-N 3.17Å; A50-F53 PolarHBondContact O-N 3.3Å; F53-N55 PolarHBondContact O-N 2.79Å; F53-Y56 PolarHBondContact O-N 2.83Å; F53-Y56 VanDerWaalsContact O-N 3.11Å |
| 54 | P | 33.2 | Very low | 28.4 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -64.2 | -28.6 | 175.8 | -20.7 | 32.1 | 0 | 0 | 0 | 113.2 | H52 Y56 H57 | H52-P54 VanDerWaalsContact C-CD 3.41Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; P54-H57 PolarHBondContact O-ND1 3Å |
| 55 | N | 33.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -82.5 | -12.7 | 177.6 | -67.7 | -6.1 | 0 | 0 | 0 | 112.4 | H52 F53 H57 | H52-N55 PolarHBondContact O-N 2.97Å; F53-N55 PolarHBondContact O-N 2.79Å; N55-H57 PolarHBondContact O-N 3.31Å; N55-H57 VanDerWaalsContact O-N 3.15Å |
| 56 | Y | 28.8 | Very low | 28.1 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -85.5 | 48.6 | 165.6 | -63.8 | -78.5 | 0 | 0 | 0 | 110.3 | H52 F53 P54 H58 | H52-Y56 HydrophobicContact CB-CD2 4.43Å; H52-Y56 HydrophobicContact CB-CE2 3.86Å; H52-Y56 WeakPolarHBondContact O-CD2 3.44Å; H52-Y56 PolarHBondContact O-N 2.99Å; F53-Y56 PolarHBondContact O-N 2.83Å; F53-Y56 VanDerWaalsContact O-N 3.11Å; P54-Y56 VanDerWaalsContact C-N 3.32Å; Y56-H58 VanDerWaalsContact C-N 3.34Å; Y56-H58 PolarHBondContact O-N 2.78Å; Y56-H58 PolarHBondContact O-ND1 2.98Å | ||
| 57 | H | 25.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 75% | 0.75 | 68% | 0.675 | S | S | * | * | trans | -57.6 | 111.3 | 154.9 | -88.2 | 51.4 | 0 | 0 | 0 | 105.8 | P54 N55 G59 | P54-H57 PolarHBondContact O-ND1 3Å; N55-H57 PolarHBondContact O-N 3.31Å; N55-H57 VanDerWaalsContact O-N 3.15Å; H57-G59 PolarHBondContact O-N 3.15Å | ||
| 58 | H | 27.9 | Very low | 28.1 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | trans | -59.1 | 87.6 | 170 | -71.1 | 47.8 | 0 | 0 | 0 | 105.5 | Y56 N60 | Y56-H58 VanDerWaalsContact C-N 3.34Å; Y56-H58 PolarHBondContact O-N 2.78Å; Y56-H58 PolarHBondContact O-ND1 2.98Å; H58-N60 PolarHBondContact O-N 3.3Å | ||
| 59 | G | 26.4 | Very low | 27.8 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | trans | -64.5 | 93 | 178.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | H57 M61 | H57-G59 PolarHBondContact O-N 3.15Å; G59-M61 PolarHBondContact O-N 3.01Å | ||
| 60 | N | 26.4 | Very low | 27.7 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -51.9 | 85.4 | 140.4 | -82.6 | -10.3 | 0 | 0 | 0 | 105.3 | H58 T62 | H58-N60 PolarHBondContact O-N 3.3Å; N60-T62 PolarHBondContact O-N 3.33Å | ||
| 61 | M | 25.4 | Very low | 27.5 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 95% | 0.946 | 72% | 0.72 | S | S | * | * | trans | -67 | 69.5 | 164.1 | -88 | -170.7 | -179.2 | 0 | 0 | 106.9 | G59 | G59-M61 PolarHBondContact O-N 3.01Š| ||
| 62 | T | 25.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 64% | 0.638 | 72% | 0.724 | S | S | * | * | trans | -100.4 | 106.5 | 158.9 | 47.2 | 0 | 0 | 0 | 0 | 105.6 | N60 | N60-T62 PolarHBondContact O-N 3.33Š| ||
| 63 | N | 24.4 | Very low | 27 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 70.2 | 91.4 | 156.5 | -50.4 | -20 | 0 | 0 | 0 | 117.4 | ||||
| 64 | I | 25.9 | Very low | 26.8 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | -136.6 | 85.4 | 126 | -58.5 | -176.2 | 0 | 0 | 0 | 106.6 | D66 | I64-D66 PolarHBondContact O-N 2.74Š| |||
| 65 | V | 25.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 150 Ų | 150 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 98.9 | 163.5 | 175 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 66 | D | 27.4 | Very low | 26.4 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -113.8 | 39.6 | 151.2 | -79.6 | -26.5 | 0 | 0 | 0 | 108.7 | I64 | I64-D66 PolarHBondContact O-N 2.74Š| ||
| 67 | M | 28.4 | Very low | 26.4 | Very low | 172 Ų | 172 | 152 Ų | 152 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -108.9 | 92.3 | 157.7 | -87.6 | -161.3 | -176.7 | 0 | 0 | 107.9 | Q69 | M67-Q69 PolarHBondContact O-N 3.2Å; M67-Q69 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 26.8 | Very low | 26.6 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -21.6 | 105.3 | 158.1 | -63.3 | 174.6 | 154.7 | 0 | 0 | 112.6 | S70 | E68-S70 PolarHBondContact O-N 3.22Š| ||
| 69 | Q | 24 | Very low | 26.7 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | 38.8 | 83.4 | 123.7 | -155.8 | 149.5 | 13.4 | 0 | 0 | 116 | M67 | M67-Q69 PolarHBondContact O-N 3.2Å; M67-Q69 VanDerWaalsContact O-N 3.1Å | |||
| 70 | S | 26.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 157 Ų | 157 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -117.8 | 105.1 | 148 | 51 | 0 | 0 | 0 | 0 | 109.3 | E68 Y72 | E68-S70 PolarHBondContact O-N 3.22Å; S70-Y72 PolarHBondContact O-N 2.84Å | ||
| 71 | N | 24.2 | Very low | 27.4 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 67% | 0.668 | 81% | 0.809 | S | S | * | * | trans | -48.7 | 122.6 | 170.4 | -82.7 | -21.8 | 0 | 0 | 0 | 111.3 | ||||
| 72 | Y | 25.6 | Very low | 27.8 | Very low | 226 Ų | 226 | 151.1 Ų | 151.1 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | -149.6 | 94.7 | 139.7 | -90.2 | -73.7 | 0 | 0 | 0 | 108.7 | S70 N74 | S70-Y72 PolarHBondContact O-N 2.84Å; Y72-N74 PolarHBondContact O-N 3.42Å | ||
| 73 | D | 25.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -53.4 | 118.2 | 160.1 | -75 | -47.5 | 0 | 0 | 0 | 109.3 | ||||
| 74 | N | 26.6 | Very low | 28.6 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -160.7 | 93.3 | 150.5 | -92.7 | -38.9 | 0 | 0 | 0 | 109.4 | Y72 L76 | Y72-N74 PolarHBondContact O-N 3.42Å; N74-L76 PolarHBondContact O-N 3.05Å; N74-L76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | N | 26.7 | Very low | 28.9 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -52.6 | 109.7 | 158.5 | -82.8 | -45.4 | 0 | 0 | 0 | 109.7 | ||||
| 76 | L | 31.2 | Very low | 29.2 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | -147.2 | 115.2 | 154.5 | -137.3 | 88.7 | 0 | 0 | 0 | 109.4 | N74 R78 | N74-L76 PolarHBondContact O-N 3.05Å; N74-L76 VanDerWaalsContact O-N 3.15Å; L76-R78 PolarHBondContact O-N 2.86Å | ||
| 77 | N | 27.6 | Very low | 29.3 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | -34.2 | 98.5 | 166.9 | -85.5 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 78 | R | 31.4 | Very low | 29.5 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 119 | 161.2 | -77.6 | -170.4 | 177.6 | -154.4 | 0.8 | 107 | L76 | L76-R78 PolarHBondContact O-N 2.86Š| ||
| 79 | N | 28.9 | Very low | 29.7 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -42.3 | 141.2 | 171.7 | -70.1 | -30 | 0 | 0 | 0 | 110.4 | ||||
| 80 | P | 31.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -54.5 | 130.4 | -175.2 | 22.1 | -32.3 | 0 | 0 | 0 | 109.3 | S82 | P80-S82 PolarHBondContact O-N 3.05Š| ||
| 81 | P | 36.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -58.1 | 130.6 | -179.7 | 23.1 | -30.7 | 0 | 0 | 0 | 108.4 | N83 | P81-N83 PolarHBondContact O-N 3.24Š| ||
| 82 | S | 33.4 | Very low | 30.3 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | -51.7 | 115 | 171.3 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | P80 D84 | P80-S82 PolarHBondContact O-N 3.05Å; S82-D84 PolarHBondContact O-N 2.83Å; S82-D84 PolarHBondContact OG-OD2 2.89Å | ||
| 83 | N | 33.1 | Very low | 30.3 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | trans | -74.9 | 61.4 | -179.5 | -167.8 | 18.3 | 0 | 0 | 0 | 108.8 | P81 N85 | P81-N83 PolarHBondContact O-N 3.24Å; N83-N85 PolarHBondContact O-N 2.8Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N83-N85 PolarHBondContact OD1-OD1 3.1Å | ||
| 84 | D | 34.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | -79.1 | 57.8 | 168.1 | -64.3 | -44.1 | 0 | 0 | 0 | 107.8 | S82 N86 | S82-D84 PolarHBondContact O-N 2.83Å; S82-D84 PolarHBondContact OG-OD2 2.89Å; D84-N86 PolarHBondContact O-N 3.29Å | ||
| 85 | N | 32.4 | Very low | 30.7 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -73.4 | 67.2 | 169.4 | -78.6 | -3.3 | 0 | 0 | 0 | 108.4 | N83 S87 | N83-N85 PolarHBondContact O-N 2.8Å; N83-N85 PolarHBondContact OD1-ND2 3.39Å; N83-N85 PolarHBondContact OD1-OD1 3.1Å; N85-S87 PolarHBondContact O-N 2.89Å | ||
| 86 | N | 32.4 | Very low | 31 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | trans | -67.1 | 77 | 154.3 | -84.3 | -17.2 | 0 | 0 | 0 | 107 | D84 H88 | D84-N86 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact O-CD2 2.89Å; N86-H88 PolarHBondContact O-N 3.06Å | ||
| 87 | S | 29.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -64.7 | 87.1 | 166.7 | 147.5 | 0 | 0 | 0 | 0 | 107.3 | N85 V89 | N85-S87 PolarHBondContact O-N 2.89Å; S87-V89 PolarHBondContact O-N 3.16Å; S87-V89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | H | 31.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 63% | 0.625 | 66% | 0.66 | S | S | * | * | trans | -71.4 | 100.1 | 168.6 | -68.4 | -68.1 | 0 | 0 | 0 | 108.1 | N86 R90 | N86-H88 PolarHBondContact O-CD2 2.89Å; N86-H88 PolarHBondContact O-N 3.06Å; H88-R90 PolarHBondContact O-N 3.39Å; H88-R90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | V | 30.8 | Very low | 30.7 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 53% | 0.527 | 64% | 0.642 | S | S | . | * | trans | -72.9 | 104.2 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | S87 I91 | S87-V89 PolarHBondContact O-N 3.16Å; S87-V89 VanDerWaalsContact O-N 3.12Å; V89-I91 HydrophobicContact CG1-CG1 3.95Å; V89-I91 PolarHBondContact O-N 3.18Å | ||
| 90 | R | 27.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 114.5 Ų | 114.5 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | trans | -78.5 | 106.3 | 169.9 | -98.3 | -176.3 | 173.1 | -179.3 | -2.2 | 108.7 | H88 N92 | H88-R90 PolarHBondContact O-N 3.39Å; H88-R90 VanDerWaalsContact O-N 3.15Å; R90-N92 PolarHBondContact O-N 2.69Å | ||
| 91 | I | 32.6 | Very low | 30.6 | Very low | 64 Ų | 64 | 112.4 Ų | 112.4 | 33% | 0.328 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 97.9 | 169 | -50.2 | 177 | 0 | 0 | 0 | 107.5 | V89 H93 | V89-I91 HydrophobicContact CG1-CG1 3.95Å; V89-I91 PolarHBondContact O-N 3.18Å; I91-H93 VanDerWaalsContact CG2-NE2 3.27Å; I91-H93 WeakPolarHBondContact CG2-NE2 3.45Å; I91-H93 PolarHBondContact O-N 3.31Å |
| 92 | N | 26.8 | Very low | 30.5 | Very low | 86 Ų | 86 | 111 Ų | 111 | 46% | 0.46 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.7 | 107 | 172.6 | -69.3 | -24.8 | 0 | 0 | 0 | 108.4 | R90 T99 | R90-N92 PolarHBondContact O-N 2.69Å; N92-T99 HydrophobicContact CB-CG2 4.18Å |
| 93 | H | 27.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 113.6 Ų | 113.6 | 43% | 0.426 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.5 | 166.7 | -68.4 | -72.8 | 0 | 0 | 0 | 109 | I91 L95 | I91-H93 VanDerWaalsContact CG2-NE2 3.27Å; I91-H93 WeakPolarHBondContact CG2-NE2 3.45Å; I91-H93 PolarHBondContact O-N 3.31Å; H93-L95 PolarHBondContact O-N 2.82Å |
| 94 | T | 25.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.644 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 83.2 | 172.6 | -37 | 0 | 0 | 0 | 0 | 108.4 | ||
| 95 | L | 33.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 111.9 Ų | 111.9 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 109.3 | 164.8 | -73.1 | 163 | 0 | 0 | 0 | 106.5 | H93 | H93-L95 PolarHBondContact O-N 2.82Å |
| 96 | D | 34.2 | Very low | 30.1 | Very low | 151 Ų | 151 | 109 Ų | 109 | 81% | 0.807 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 41.8 | 173.2 | -60.9 | -16.1 | 0 | 0 | 0 | 117.9 | K98 | D96-K98 PolarHBondContact O-N 2.94Å; D96-K98 VanDerWaalsContact O-N 3.15Å |
| 97 | G | 29 | Very low | 30.4 | Very low | 69 Ų | 69 | 107.9 Ų | 107.9 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.8 | 5.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 98 | K | 27.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 111.8 Ų | 111.8 | 73% | 0.726 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 101.7 | 167.3 | -66.9 | -176.2 | -177.9 | -179.6 | 0 | 108.2 | D96 Q100 | D96-K98 PolarHBondContact O-N 2.94Å; D96-K98 VanDerWaalsContact O-N 3.15Å; K98-Q100 PolarHBondContact O-N 3.15Å |
| 99 | T | 26.2 | Very low | 30.7 | Very low | 84 Ų | 84 | 108.4 Ų | 108.4 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57.7 | 100.5 | 176.9 | -41.3 | 0 | 0 | 0 | 0 | 109.3 | N92 I101 | N92-T99 HydrophobicContact CB-CG2 4.18Å; T99-I101 HydrophobicContact CG2-CG1 4.39Å; T99-I101 PolarHBondContact O-N 3.04Å |
| 100 | Q | 32 | Very low | 30.8 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81 | 103.7 | 168.5 | -78.7 | -176.4 | 7.8 | 0 | 0 | 107.3 | K98 I102 | K98-Q100 PolarHBondContact O-N 3.15Å; Q100-I102 VanDerWaalsContact C-N 3.35Å; Q100-I102 PolarHBondContact O-N 3.37Å |
| 101 | I | 28.4 | Very low | 31.3 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 37% | 0.369 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 93 | 171.8 | -54.5 | 172.3 | 0 | 0 | 0 | 106.6 | T99 Y103 | T99-I101 HydrophobicContact CG2-CG1 4.39Å; T99-I101 PolarHBondContact O-N 3.04Å; I101-Y103 HydrophobicContact CB-CE2 4.1Å; I101-Y103 HydrophobicContact CG2-CD1 4.36Å; I101-Y103 HydrophobicContact CG2-CD2 3.79Å; I101-Y103 HydrophobicContact CG2-CE1 4.03Å; I101-Y103 HydrophobicContact CG2-CE2 3.42Å; I101-Y103 VanDerWaalsContact CG2-CE2 3.42Å; I101-Y103 HydrophobicContact CG2-CG 4.25Å; I101-Y103 PolarHBondContact O-N 3.04Å |
| 102 | I | 32.5 | Very low | 31.3 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 98.6 | 170.3 | -55.3 | -178.4 | 0 | 0 | 0 | 106.1 | Q100 E104 | Q100-I102 VanDerWaalsContact C-N 3.35Å; Q100-I102 PolarHBondContact O-N 3.37Å; I102-E104 PolarHBondContact O-N 2.62Å; I102-E104 VanDerWaalsContact O-N 3.11Å |
| 103 | Y | 30.4 | Very low | 31.9 | Very low | 148 Ų | 148 | 114.2 Ų | 114.2 | 58% | 0.58 | 58% | 0.576 | S | S | * | * | trans | -67.7 | 107 | 169.6 | -69.2 | -85.8 | 0 | 0 | 0 | 108 | I101 T105 | I101-Y103 HydrophobicContact CB-CE2 4.1Å; I101-Y103 HydrophobicContact CG2-CD1 4.36Å; I101-Y103 HydrophobicContact CG2-CD2 3.79Å; I101-Y103 HydrophobicContact CG2-CE1 4.03Å; I101-Y103 HydrophobicContact CG2-CE2 3.42Å; I101-Y103 VanDerWaalsContact CG2-CE2 3.42Å; I101-Y103 HydrophobicContact CG2-CG 4.25Å; I101-Y103 PolarHBondContact O-N 3.04Å; Y103-T105 PolarHBondContact O-N 3.47Å | ||
| 104 | E | 31.4 | Very low | 32.3 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | trans | -63.5 | 87.6 | 156.9 | -85.9 | -168.2 | 147.6 | 0 | 0 | 107.2 | I102 P106 | I102-E104 PolarHBondContact O-N 2.62Å; I102-E104 VanDerWaalsContact O-N 3.11Å; E104-P106 WeakPolarHBondContact O-CD 3.42Å | ||
| 105 | T | 33.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | trans | -62.2 | 126.1 | 176.2 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | Y103 S107 | Y103-T105 PolarHBondContact O-N 3.47Å; T105-S107 PolarHBondContact O-N 3.29Å | ||
| 106 | P | 29.9 | Very low | 32.6 | Very low | 70 Ų | 70 | 112.3 Ų | 112.3 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | trans | -55.8 | 139.8 | -178.8 | 11.6 | -20.9 | 0 | 0 | 0 | 111.3 | E104 K108 T109 | E104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-K108 PolarHBondContact O-N 2.77Å; P106-T109 PolarHBondContact O-N 2.95Å; P106-T109 PolarHBondContact O-OG1 2.75Å | ||
| 107 | S | 39.9 | Very low | 32.5 | Very low | 96 Ų | 96 | 108.3 Ų | 108.3 | 67% | 0.671 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -43.3 | -29.9 | -163.8 | 60.2 | 0 | 0 | 0 | 0 | 117 | T105 Q111 | T105-S107 PolarHBondContact O-N 3.29Å; S107-Q111 PolarHBondContact O-N 3.14Å |
| 108 | K | 30.7 | Very low | 32.9 | Very low | 181 Ų | 181 | 112.2 Ų | 112.2 | 79% | 0.787 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 178.8 | -72.7 | -176.1 | 179.1 | 176.6 | 0 | 113.2 | P106 Q111 Y112 | P106-K108 PolarHBondContact O-N 2.77Å; K108-Q111 PolarHBondContact O-N 2.84Å; K108-Y112 WeakPolarHBondContact O-CB 3.44Å; K108-Y112 PolarHBondContact O-N 3.44Å |
| 109 | T | 35.6 | Very low | 33.2 | Very low | 63 Ų | 63 | 109.4 Ų | 109.4 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71 | -38.9 | -179.9 | -29.8 | 0 | 0 | 0 | 0 | 110.5 | P106 Q111 Y112 W113 | P106-T109 PolarHBondContact O-N 2.95Å; P106-T109 PolarHBondContact O-OG1 2.75Å; T109-Q111 PolarHBondContact O-N 3.37Å; T109-Y112 WeakPolarHBondContact O-CB 3.46Å; T109-Y112 PolarHBondContact O-N 3.15Å; T109-W113 PolarHBondContact O-N 2.91Å |
| 110 | R | 33.3 | Very low | 33.5 | Very low | 159 Ų | 159 | 109.8 Ų | 109.8 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -43.8 | 173.1 | -175.4 | 175.9 | -178.5 | -96.5 | 3.4 | 111.5 | W113 L114 | R110-W113 PolarHBondContact O-N 3.29Å; R110-L114 HydrophobicContact CG-CD1 4.18Å; R110-L114 WeakPolarHBondContact O-CB 3.41Å; R110-L114 VanDerWaalsContact O-CG 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.29Å |
| 111 | Q | 37.7 | Very low | 33.5 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.4 | -164.3 | 63.5 | 48.2 | 0 | 0 | 111.3 | S107 K108 T109 W113 L114 D115 | S107-Q111 PolarHBondContact O-N 3.14Å; K108-Q111 PolarHBondContact O-N 2.84Å; T109-Q111 PolarHBondContact O-N 3.37Å; Q111-W113 VanDerWaalsContact C-N 3.33Å; Q111-W113 PolarHBondContact O-N 2.94Å; Q111-L114 PolarHBondContact O-N 2.96Å; Q111-D115 PolarHBondContact NE2-OD1 2.76Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 3.23Å |
| 112 | Y | 33.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 109.9 Ų | 109.9 | 48% | 0.475 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 175 | -178 | -94.5 | 0 | 0 | 0 | 112.7 | K108 T109 D115 R116 | K108-Y112 WeakPolarHBondContact O-CB 3.44Å; K108-Y112 PolarHBondContact O-N 3.44Å; T109-Y112 WeakPolarHBondContact O-CB 3.46Å; T109-Y112 PolarHBondContact O-N 3.15Å; Y112-D115 PolarHBondContact O-N 3.33Å; Y112-R116 HydrophobicContact CE1-CG 4.32Å; Y112-R116 PolarHBondContact O-N 3.41Å; Y112-R116 PolarHBondContact OH-NE 3.42Å; Y112-R116 PolarHBondContact OH-NH2 2.98Å |
| 113 | W | 38 | Very low | 33.6 | Very low | 147 Ų | 147 | 111.8 Ų | 111.8 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.9 | -41.1 | 176 | -77 | 113.6 | 0 | 0 | 0 | 112.9 | T109 R110 Q111 D115 R116 C117 | T109-W113 PolarHBondContact O-N 2.91Å; R110-W113 PolarHBondContact O-N 3.29Å; Q111-W113 VanDerWaalsContact C-N 3.33Å; Q111-W113 PolarHBondContact O-N 2.94Å; W113-D115 VanDerWaalsContact C-N 3.31Å; W113-D115 PolarHBondContact O-N 2.91Å; W113-R116 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-SG 3.48Å; W113-C117 VanDerWaalsContact O-SG 3.42Å |
| 114 | L | 37 | Very low | 33.6 | Very low | 76 Ų | 76 | 114 Ų | 114 | 40% | 0.398 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 174.8 | -72.8 | 172 | 0 | 0 | 0 | 111.4 | R110 Q111 C117 K118 | R110-L114 HydrophobicContact CG-CD1 4.18Å; R110-L114 WeakPolarHBondContact O-CB 3.41Å; R110-L114 VanDerWaalsContact O-CG 3.29Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 3.29Å; Q111-L114 PolarHBondContact O-N 2.96Å; L114-C117 PolarHBondContact O-N 3.39Å; L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 3.36Å |
| 115 | D | 32.3 | Very low | 33.6 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | 178.9 | -68 | -13.2 | 0 | 0 | 0 | 111.2 | Q111 Y112 W113 K118 L119 | Q111-D115 PolarHBondContact NE2-OD1 2.76Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 3.23Å; Y112-D115 PolarHBondContact O-N 3.33Å; W113-D115 VanDerWaalsContact C-N 3.31Å; W113-D115 PolarHBondContact O-N 2.91Å; D115-K118 PolarHBondContact O-N 3.48Å; D115-L119 WeakPolarHBondContact O-CG 3.5Å; D115-L119 PolarHBondContact O-N 2.93Å |
| 116 | R | 32.1 | Very low | 33.6 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 53% | 0.532 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 171.7 | -81.2 | -140.6 | -166.8 | -178.9 | 8.3 | 112.8 | Y112 W113 K118 L119 S120 | Y112-R116 HydrophobicContact CE1-CG 4.32Å; Y112-R116 PolarHBondContact O-N 3.41Å; Y112-R116 PolarHBondContact OH-NE 3.42Å; Y112-R116 PolarHBondContact OH-NH2 2.98Å; W113-R116 PolarHBondContact O-N 3.43Å; R116-K118 VanDerWaalsContact C-N 3.28Å; R116-K118 PolarHBondContact O-N 3.03Å; R116-L119 PolarHBondContact O-N 3.47Å; R116-S120 PolarHBondContact O-N 3.31Å |
| 117 | C | 33.4 | Very low | 33.8 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 45% | 0.453 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.8 | -39.2 | 177.5 | -76.2 | 0 | 0 | 0 | 0 | 111.4 | W113 L114 L119 S120 S121 | W113-C117 PolarHBondContact O-N 3.43Å; W113-C117 PolarHBondContact O-SG 3.48Å; W113-C117 VanDerWaalsContact O-SG 3.42Å; L114-C117 PolarHBondContact O-N 3.39Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.38Å; C117-S120 PolarHBondContact O-N 2.97Å; C117-S120 PolarHBondContact O-OG 3.48Å; C117-S121 PolarHBondContact O-N 3.36Å |
| 118 | K | 37 | Very low | 33.5 | Very low | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.2 | -31.1 | 177.2 | -148.4 | 176.7 | -173.2 | -178 | 0 | 112.8 | L114 D115 R116 S121 I122 | L114-K118 WeakPolarHBondContact O-CB 3.29Å; L114-K118 PolarHBondContact O-N 3.36Å; D115-K118 PolarHBondContact O-N 3.48Å; R116-K118 VanDerWaalsContact C-N 3.28Å; R116-K118 PolarHBondContact O-N 3.03Å; K118-S121 PolarHBondContact O-OG 3.41Å; K118-I122 WeakPolarHBondContact O-CD1 3.33Å; K118-I122 WeakPolarHBondContact O-CG1 3.5Å |
| 119 | L | 32.4 | Very low | 33.7 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.7 | -33.7 | 173.3 | -70.7 | 169.3 | 0 | 0 | 0 | 112.2 | D115 R116 C117 S121 I122 | D115-L119 WeakPolarHBondContact O-CG 3.5Å; D115-L119 PolarHBondContact O-N 2.93Å; R116-L119 PolarHBondContact O-N 3.47Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.38Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.2Å; L119-I122 PolarHBondContact O-N 3.02Å |
| 120 | S | 33.5 | Very low | 33.7 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.8 | -26.5 | 179.8 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | R116 C117 | R116-S120 PolarHBondContact O-N 3.31Å; C117-S120 PolarHBondContact O-N 2.97Å; C117-S120 PolarHBondContact O-OG 3.48Å |
| 121 | S | 32.6 | Very low | 33.8 | Very low | 86 Ų | 86 | 118.8 Ų | 118.8 | 60% | 0.601 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11.5 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | C117 K118 L119 | C117-S121 PolarHBondContact O-N 3.36Å; K118-S121 PolarHBondContact O-OG 3.41Å; L119-S121 VanDerWaalsContact C-N 3.26Å; L119-S121 PolarHBondContact O-N 3.2Å |
| 122 | I | 33.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -22.2 | -177.5 | -68.2 | 170.3 | 0 | 0 | 0 | 112.3 | K118 L119 | K118-I122 WeakPolarHBondContact O-CD1 3.33Å; K118-I122 WeakPolarHBondContact O-CG1 3.5Å; L119-I122 PolarHBondContact O-N 3.02Å |
| 123 | N | 29.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | trans | -111.1 | 22 | -171.6 | -75.9 | -6.3 | 0 | 0 | 0 | 115.5 | I125 | N123-I125 PolarHBondContact O-N 3.35Š| ||
| 124 | Y | 29 | Very low | 33.5 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | trans | -77.8 | 76.2 | 162.4 | -147.2 | -90.5 | 0 | 0 | 0 | 109 | D126 | Y124-D126 WeakPolarHBondContact CD1-OD1 3.5Å; Y124-D126 VanDerWaalsContact CE1-OD1 3.23Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3Å; Y124-D126 PolarHBondContact O-N 3.18Å; Y124-D126 VanDerWaalsContact O-N 3.14Å | ||
| 125 | I | 31.8 | Very low | 33.2 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -67.7 | 105.2 | 161.4 | -62.6 | 172.1 | 0 | 0 | 0 | 104.6 | N123 N127 | N123-I125 PolarHBondContact O-N 3.35Å; I125-N127 PolarHBondContact O-N 2.84Å | ||
| 126 | D | 34 | Very low | 33.2 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -58 | 87.5 | 167 | -89.8 | -28.8 | 0 | 0 | 0 | 107.7 | Y124 N128 | Y124-D126 WeakPolarHBondContact CD1-OD1 3.5Å; Y124-D126 VanDerWaalsContact CE1-OD1 3.23Å; Y124-D126 WeakPolarHBondContact CE1-OD1 3Å; Y124-D126 PolarHBondContact O-N 3.18Å; Y124-D126 VanDerWaalsContact O-N 3.14Å; D126-N128 PolarHBondContact O-N 3.12Å | ||
| 127 | N | 33.4 | Very low | 33.1 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -77.6 | 53.8 | 175.1 | -120.7 | 7.2 | 0 | 0 | 0 | 109.3 | I125 | I125-N127 PolarHBondContact O-N 2.84Š| ||
| 128 | N | 33.3 | Very low | 33 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -103.3 | 43.5 | 167.4 | -79.5 | -14.7 | 0 | 0 | 0 | 109.6 | D126 S130 | D126-N128 PolarHBondContact O-N 3.12Å; N128-S130 PolarHBondContact O-N 2.84Å | ||
| 129 | N | 35 | Very low | 32.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | -90.8 | 88.1 | 154 | -94.4 | -1.9 | 0 | 0 | 0 | 107.1 | N131 | N129-N131 PolarHBondContact O-N 2.84Š| ||
| 130 | S | 36.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -58 | 77.2 | 159.8 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | N128 N132 | N128-S130 PolarHBondContact O-N 2.84Å; S130-N132 PolarHBondContact O-N 2.98Å | ||
| 131 | N | 35.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -73.6 | 83.8 | 164.4 | -77.7 | -3.6 | 0 | 0 | 0 | 106.7 | N129 I133 | N129-N131 PolarHBondContact O-N 2.84Å; N131-I133 HydrophobicContact CB-CD1 4.27Å; N131-I133 HydrophobicContact CB-CG1 4.2Å; N131-I133 PolarHBondContact O-N 3.45Å | ||
| 132 | N | 29.6 | Very low | 32.1 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -59.1 | 83 | 151.9 | -104.9 | -5.6 | 0 | 0 | 0 | 106.3 | S130 D134 | S130-N132 PolarHBondContact O-N 2.98Å; N132-D134 PolarHBondContact O-N 3.38Å | ||
| 133 | I | 37.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -89.4 | 95.9 | 162 | -66.4 | 168.8 | 0 | 0 | 0 | 103.6 | N131 N135 | N131-I133 HydrophobicContact CB-CD1 4.27Å; N131-I133 HydrophobicContact CB-CG1 4.2Å; N131-I133 PolarHBondContact O-N 3.45Å; I133-N135 PolarHBondContact O-N 3.06Å | ||
| 134 | D | 33.7 | Very low | 31.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -47.3 | 124.2 | 171.7 | -76.1 | -43.7 | 0 | 0 | 0 | 109 | N132 N136 | N132-D134 PolarHBondContact O-N 3.38Å; D134-N136 PolarHBondContact O-N 2.92Å | ||
| 135 | N | 31.4 | Very low | 31.8 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -73.2 | 71.3 | -172.3 | -154.7 | 12.7 | 0 | 0 | 0 | 108.6 | I133 N137 | I133-N135 PolarHBondContact O-N 3.06Å; N135-N137 PolarHBondContact O-N 2.86Å | ||
| 136 | N | 31 | Very low | 31.6 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -92.1 | 86.9 | 176.9 | -129.5 | 2.9 | 0 | 0 | 0 | 109.2 | D134 N138 | D134-N136 PolarHBondContact O-N 2.92Å; N136-N138 PolarHBondContact O-N 3.17Å; N136-N138 VanDerWaalsContact O-N 3.13Å | ||
| 137 | N | 31.5 | Very low | 31.4 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -41.6 | 112.3 | 157.4 | -104.9 | -19.1 | 0 | 0 | 0 | 109.6 | N135 | N135-N137 PolarHBondContact O-N 2.86Š| ||
| 138 | N | 30.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -144.6 | 103.2 | 149 | -92.8 | -27.6 | 0 | 0 | 0 | 109 | N136 T140 | N136-N138 PolarHBondContact O-N 3.17Å; N136-N138 VanDerWaalsContact O-N 3.13Å; N138-T140 PolarHBondContact O-N 3.39Å | ||
| 139 | N | 29.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -48.9 | 120.9 | 171 | -156.9 | 30.4 | 0 | 0 | 0 | 109.7 | D141 | N139-D141 PolarHBondContact ND2-OD2 2.76Å; N139-D141 PolarHBondContact OD1-OD2 2.77Å | ||
| 140 | T | 29.3 | Very low | 30.6 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | -132.4 | 78.2 | 162.1 | -38.2 | 0 | 0 | 0 | 0 | 107.8 | N138 N142 | N138-T140 PolarHBondContact O-N 3.39Å; T140-N142 PolarHBondContact O-N 2.78Å | ||
| 141 | D | 31.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | -57.3 | 108.6 | 158.7 | -68.3 | -53.8 | 0 | 0 | 0 | 108.6 | N139 | N139-D141 PolarHBondContact ND2-OD2 2.76Å; N139-D141 PolarHBondContact OD1-OD2 2.77Å | ||
| 142 | N | 27.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -174 | 113.5 | 141 | -104.7 | -29 | 0 | 0 | 0 | 113 | T140 | T140-N142 PolarHBondContact O-N 2.78Š| ||
| 143 | N | 26.6 | Very low | 29.6 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 7.7 | 113.5 | 140.7 | -76.1 | -28.4 | 0 | 0 | 0 | 117.1 | ||||
| 144 | N | 29.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | -169.7 | 113.6 | 106.6 | -91.7 | -22.8 | 0 | 0 | 0 | 111.7 | D146 | N144-D146 PolarHBondContact O-N 3.42Š| |||
| 145 | N | 28.2 | Very low | 28.8 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | -9.6 | 99.6 | 148 | -153.9 | 23.5 | 0 | 0 | 0 | 115.9 | ||||
| 146 | D | 27.7 | Very low | 28.7 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -125.3 | 113.6 | 154.8 | -91.9 | -28.4 | 0 | 0 | 0 | 108.7 | N144 N148 | N144-D146 PolarHBondContact O-N 3.42Å; D146-N148 PolarHBondContact O-N 3.14Å | ||
| 147 | N | 29.9 | Very low | 28.4 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -69.9 | 57 | 176.3 | -136.7 | 4.5 | 0 | 0 | 0 | 109.5 | N149 | N147-N149 PolarHBondContact O-N 3.17Š| ||
| 148 | N | 27.6 | Very low | 28.2 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | -92 | 83.9 | 176.2 | -86.6 | -22.5 | 0 | 0 | 0 | 109.1 | D146 I150 | D146-N148 PolarHBondContact O-N 3.14Å; N148-I150 PolarHBondContact O-N 3.34Å | ||
| 149 | N | 25.9 | Very low | 28 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 14.1 | 84.2 | 131.9 | -148.9 | 16.3 | 0 | 0 | 0 | 112.4 | N147 N151 | N147-N149 PolarHBondContact O-N 3.17Å; N149-N151 PolarHBondContact O-N 3.45Å | ||
| 150 | I | 31.6 | Very low | 27.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | -67.2 | 84.1 | 164.5 | -60.4 | 174.6 | 0 | 0 | 0 | 104.5 | N148 N152 | N148-I150 PolarHBondContact O-N 3.34Å; I150-N152 VanDerWaalsContact CG2-OD1 3.26Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N152 PolarHBondContact O-N 2.84Å | ||
| 151 | N | 26.1 | Very low | 27.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | -60.6 | 80.8 | 157.5 | -127.6 | 5.1 | 0 | 0 | 0 | 104 | N149 N153 | N149-N151 PolarHBondContact O-N 3.45Å; N151-N153 PolarHBondContact O-N 3.05Å | ||
| 152 | N | 29.7 | Very low | 27.4 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -60.6 | 91 | 159.4 | -91.1 | -11.5 | 0 | 0 | 0 | 103.6 | I150 N154 | I150-N152 VanDerWaalsContact CG2-OD1 3.26Å; I150-N152 WeakPolarHBondContact CG2-OD1 3.44Å; I150-N152 PolarHBondContact O-N 2.84Å; N152-N154 PolarHBondContact O-N 3Å | ||
| 153 | N | 25 | Very low | 27.4 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -56 | 82.2 | 155.6 | -95.3 | -9.9 | 0 | 0 | 0 | 105 | N151 N155 | N151-N153 PolarHBondContact O-N 3.05Å; N153-N155 PolarHBondContact O-N 3.44Å | ||
| 154 | N | 30.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | -64.1 | 77.6 | 155.1 | -69.5 | -19.7 | 0 | 0 | 0 | 104.1 | N152 I156 | N152-N154 PolarHBondContact O-N 3Å; N154-I156 HydrophobicContact CB-CD1 4.46Å; N154-I156 HydrophobicContact CB-CG1 4.04Å; N154-I156 PolarHBondContact O-N 3.11Å | ||
| 155 | N | 24.6 | Very low | 27.1 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -62.8 | 76.7 | 154.7 | -96.7 | 4 | 0 | 0 | 0 | 104.8 | N153 D157 | N153-N155 PolarHBondContact O-N 3.44Å; N155-D157 PolarHBondContact O-N 2.83Å | ||
| 156 | I | 29.4 | Very low | 27.1 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 59% | 0.585 | 71% | 0.709 | S | S | * | * | trans | -68.3 | 100.5 | 161.5 | -57.6 | 173.7 | 0 | 0 | 0 | 102 | N154 H158 | N154-I156 HydrophobicContact CB-CD1 4.46Å; N154-I156 HydrophobicContact CB-CG1 4.04Å; N154-I156 PolarHBondContact O-N 3.11Å; I156-H158 WeakPolarHBondContact CG2-ND1 3.34Å; I156-H158 PolarHBondContact O-N 3.15Å | ||
| 157 | D | 25.3 | Very low | 27.5 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -57.3 | 87.8 | 169.9 | -72.3 | -30.2 | 0 | 0 | 0 | 107.4 | N155 I159 | N155-D157 PolarHBondContact O-N 2.83Å; D157-I159 PolarHBondContact O-N 2.7Å | ||
| 158 | H | 27.3 | Very low | 27.5 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | -64.6 | 105.5 | 170.2 | -74 | -17.8 | 0 | 0 | 0 | 105.7 | I156 I160 | I156-H158 WeakPolarHBondContact CG2-ND1 3.34Å; I156-H158 PolarHBondContact O-N 3.15Å; H158-I160 VanDerWaalsContact C-N 3.3Å; H158-I160 PolarHBondContact O-N 3.38Å | ||
| 159 | I | 26.4 | Very low | 27.5 | Very low | 138 Ų | 138 | 137 Ų | 137 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -61.7 | 96 | 172.5 | -60.5 | 174 | 0 | 0 | 0 | 107 | D157 I161 | D157-I159 PolarHBondContact O-N 2.7Å; I159-I161 HydrophobicContact CG2-CG1 4.21Å; I159-I161 PolarHBondContact O-N 2.94Å; I159-I161 VanDerWaalsContact O-N 3.15Å | ||
| 160 | I | 25.8 | Very low | 27.5 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -73.4 | 102 | 171.5 | -59.6 | 173.6 | 0 | 0 | 0 | 106.2 | H158 I162 | H158-I160 VanDerWaalsContact C-N 3.3Å; H158-I160 PolarHBondContact O-N 3.38Å; I160-I162 HydrophobicContact CG2-CG1 3.79Å; I160-I162 PolarHBondContact O-N 3.03Å | ||
| 161 | I | 27.3 | Very low | 27.3 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -73 | 94.4 | 172.6 | -57.3 | 176.2 | 0 | 0 | 0 | 107.6 | I159 N163 | I159-I161 HydrophobicContact CG2-CG1 4.21Å; I159-I161 PolarHBondContact O-N 2.94Å; I159-I161 VanDerWaalsContact O-N 3.15Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.47Å; I161-N163 PolarHBondContact O-N 3.07Å | ||
| 162 | I | 23.3 | Very low | 27.2 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 65% | 0.651 | 73% | 0.729 | S | S | * | * | trans | -82.4 | 95.4 | 171.2 | -53.5 | 174.3 | 0 | 0 | 0 | 107.1 | I160 K164 | I160-I162 HydrophobicContact CG2-CG1 3.79Å; I160-I162 PolarHBondContact O-N 3.03Å; I162-K164 PolarHBondContact O-N 3.03Å; I162-K164 VanDerWaalsContact O-N 3.16Å | ||
| 163 | N | 27.2 | Very low | 26.9 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | trans | -67.4 | 111.5 | 169.6 | -75.1 | -17.4 | 0 | 0 | 0 | 108.5 | I161 S165 | I161-N163 WeakPolarHBondContact CG2-OD1 3.47Å; I161-N163 PolarHBondContact O-N 3.07Å; N163-S165 PolarHBondContact O-N 3.22Å | ||
| 164 | K | 24.2 | Very low | 26.8 | Very low | 210 Ų | 210 | 145 Ų | 145 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | trans | -71 | 95.2 | 170.5 | -74.1 | -179.7 | 177.6 | 177.6 | 0 | 108.6 | I162 | I162-K164 PolarHBondContact O-N 3.03Å; I162-K164 VanDerWaalsContact O-N 3.16Å | ||
| 165 | S | 26.5 | Very low | 26.4 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | -120.5 | 125.8 | 162.8 | 47.7 | 0 | 0 | 0 | 0 | 108 | N163 | N163-S165 PolarHBondContact O-N 3.22Š| ||
| 166 | D | 27.6 | Very low | 26.4 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 3.3 | 141.2 | -175.2 | -62.8 | -43.6 | 0 | 0 | 0 | 121.8 | N168 | D166-N168 VanDerWaalsContact C-N 3.27Å; D166-N168 PolarHBondContact O-N 3.28Å | ||
| 167 | P | 35.7 | Very low | 26.1 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 4.7 | -154.6 | -14.7 | 30.4 | 0 | 0 | 0 | 117.4 | ||
| 168 | N | 30.1 | Very low | 26.1 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 12 | -160.3 | -89.1 | -10.4 | 0 | 0 | 0 | 118.1 | D166 | D166-N168 VanDerWaalsContact C-N 3.27Å; D166-N168 PolarHBondContact O-N 3.28Å |
| 169 | Q | 28.2 | Very low | 25.9 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -133.2 | 96.7 | 168 | -68.9 | -158.5 | -1.8 | 0 | 0 | 113.2 | Q171 | Q169-Q171 PolarHBondContact O-N 3.37Š| ||
| 170 | N | 25.5 | Very low | 25.7 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -58.3 | 108.3 | 162.3 | -72.6 | -37.3 | 0 | 0 | 0 | 110.2 | ||||
| 171 | Q | 27 | Very low | 25.7 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | 172.1 | 87 | 140 | -93.4 | 172.9 | 40.2 | 0 | 0 | 109.3 | Q169 K173 | Q169-Q171 PolarHBondContact O-N 3.37Å; Q171-K173 PolarHBondContact O-N 3.37Å | ||
| 172 | Y | 25.7 | Very low | 25.4 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | trans | -74.7 | 114.1 | -178.2 | -60 | -85.7 | 0 | 0 | 0 | 111.1 | ||||
| 173 | K | 23.7 | Very low | 25.6 | Very low | 203 Ų | 203 | 157.4 Ų | 157.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -96.1 | 107 | 173.5 | -133.5 | 175.5 | -174.4 | 177 | 0 | 109.9 | Q171 T175 | Q171-K173 PolarHBondContact O-N 3.37Å; K173-T175 PolarHBondContact O-N 3.11Å | ||
| 174 | S | 22.7 | Very low | 25.6 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 120.6 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 175 | T | 22.2 | Very low | 25.5 | Very low | 122 Ų | 122 | 156 Ų | 156 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -97.9 | 108.4 | 171.5 | 48 | 0 | 0 | 0 | 0 | 110.6 | K173 | K173-T175 PolarHBondContact O-N 3.11Š| ||
| 176 | K | 23.9 | Very low | 25.5 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 112.6 | 169.8 | -71.6 | 179.2 | 179 | 178.7 | 0 | 109.4 | ||||
| 177 | I | 22.8 | Very low | 25.3 | Very low | 129 Ų | 129 | 160.9 Ų | 160.9 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -93.1 | 116 | 174.2 | -58.2 | 174.8 | 0 | 0 | 0 | 108.4 | Y179 | I177-Y179 HydrophobicContact CG2-CD2 4.42Å; I177-Y179 HydrophobicContact CG2-CE2 4.01Å | ||
| 178 | K | 24.7 | Very low | 24.7 | Very low | 190 Ų | 190 | 162 Ų | 162 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 112.7 | 177.4 | -156 | -179.6 | -173.3 | -175.1 | 0 | 108.3 | N180 | K178-N180 PolarHBondContact O-N 3.15Š| ||
| 179 | Y | 24.4 | Very low | 24.5 | Very low | 195 Ų | 195 | 161.6 Ų | 161.6 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -79 | 114.3 | 177.3 | -70.7 | -86.6 | 0 | 0 | 0 | 109.9 | I177 | I177-Y179 HydrophobicContact CG2-CD2 4.42Å; I177-Y179 HydrophobicContact CG2-CE2 4.01Å | ||
| 180 | N | 21.8 | Very low | 24.2 | Very low | 141 Ų | 141 | 162.4 Ų | 162.4 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -90.4 | 103.1 | 174.4 | -108 | 0.5 | 0 | 0 | 0 | 109.1 | K178 Q182 | K178-N180 PolarHBondContact O-N 3.15Å; N180-Q182 PolarHBondContact O-N 2.78Å; N180-Q182 VanDerWaalsContact O-N 3.14Å | ||
| 181 | N | 25.7 | Very low | 24.3 | Very low | 146 Ų | 146 | 163.6 Ų | 163.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 91.9 | 169.8 | -72.9 | -16.6 | 0 | 0 | 0 | 109.2 | L183 | N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 3.3Å; N181-L183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | Q | 21.7 | Very low | 24.1 | Very low | 178 Ų | 178 | 161.9 Ų | 161.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -78.3 | 88.6 | 164.7 | -75.9 | -173.3 | -18.4 | 0 | 0 | 108.5 | N180 I184 | N180-Q182 PolarHBondContact O-N 2.78Å; N180-Q182 VanDerWaalsContact O-N 3.14Å; Q182-I184 PolarHBondContact O-N 3.39Å | ||
| 183 | L | 27.2 | Very low | 24.2 | Very low | 150 Ų | 150 | 160.1 Ų | 160.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -56.9 | 116.4 | 166.9 | -94.1 | 147.9 | 0 | 0 | 0 | 108.9 | N181 N185 | N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 3.3Å; N181-L183 VanDerWaalsContact O-N 3.1Å; L183-N185 PolarHBondContact O-N 2.94Å | ||
| 184 | I | 25.7 | Very low | 24.2 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 102.8 | 172.2 | -65.6 | 169.8 | 0 | 0 | 0 | 106.9 | Q182 N186 | Q182-I184 PolarHBondContact O-N 3.39Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.36Å | ||
| 185 | N | 22.5 | Very low | 24.5 | Very low | 154 Ų | 154 | 159.2 Ų | 159.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 86.9 | 175.8 | -83.2 | -30.4 | 0 | 0 | 0 | 110.6 | L183 | L183-N185 PolarHBondContact O-N 2.94Š| ||
| 186 | N | 26.5 | Very low | 24.9 | Very low | 149 Ų | 149 | 160.9 Ų | 160.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 121.6 | 158.7 | -86.2 | -17.4 | 0 | 0 | 0 | 108.9 | I184 | I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 3.36Å | ||
| 187 | K | 23.3 | Very low | 25.2 | Very low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -55.6 | 147.5 | -170 | -76 | 170.8 | 173.2 | 170.7 | 0 | 113.5 | ||
| 188 | N | 23.9 | Very low | 25.7 | Very low | 145 Ų | 145 | 158 Ų | 158 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 75 | 82.5 | 160.7 | -55.2 | -12.1 | 0 | 0 | 0 | 115.7 | ||||
| 189 | N | 24.9 | Very low | 25.8 | Very low | 144 Ų | 144 | 155.1 Ų | 155.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | -153.2 | 109.6 | 128.3 | -89.4 | -30.1 | 0 | 0 | 0 | 109 | F191 | N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 HydrophobicContact CB-CD2 4.22Å; N189-F191 HydrophobicContact CB-CE2 4.47Å; N189-F191 PolarHBondContact O-N 3.47Å | |||
| 190 | Q | 22.2 | Very low | 26 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 89.6 | 167.1 | -77.5 | 177.8 | -26 | 0 | 0 | 108.7 | ||||
| 191 | F | 28.6 | Very low | 26.3 | Very low | 169 Ų | 169 | 156 Ų | 156 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -102.9 | 92.3 | 155.8 | -83.5 | -77 | 0 | 0 | 0 | 107.7 | N189 N193 | N189-F191 VanDerWaalsContact C-N 3.29Å; N189-F191 HydrophobicContact CB-CD2 4.22Å; N189-F191 HydrophobicContact CB-CE2 4.47Å; N189-F191 PolarHBondContact O-N 3.47Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 2.87Å | ||
| 192 | N | 23.1 | Very low | 26.6 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -54 | 100.4 | 153.8 | -91.3 | -14 | 0 | 0 | 0 | 107.3 | ||||
| 193 | N | 26.4 | Very low | 27.1 | Very low | 144 Ų | 144 | 159 Ų | 159 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -141.2 | 83.3 | 158.5 | -98.5 | -16.2 | 0 | 0 | 0 | 108 | F191 N195 | F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 2.87Å; N193-N195 PolarHBondContact O-N 3.25Å; N193-N195 VanDerWaalsContact O-N 3.11Å | ||
| 194 | N | 25.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -56.6 | 103.2 | 149.9 | -77.7 | -22.9 | 0 | 0 | 0 | 107.4 | ||||
| 195 | N | 27.9 | Very low | 27.5 | Very low | 137 Ų | 137 | 158 Ų | 158 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -179.3 | 110.9 | 142.6 | -87.7 | -20 | 0 | 0 | 0 | 106.9 | N193 N197 | N193-N195 PolarHBondContact O-N 3.25Å; N193-N195 VanDerWaalsContact O-N 3.11Å; N195-N197 PolarHBondContact O-N 3.16Å | ||
| 196 | N | 30.5 | Very low | 28 | Very low | 158 Ų | 158 | 154.6 Ų | 154.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -69.2 | 49.3 | 178.5 | -72.8 | -26.8 | 0 | 0 | 0 | 112.3 | N198 | N196-N198 PolarHBondContact O-N 2.9Š| ||
| 197 | N | 30.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -87 | 99.3 | 166.1 | -70.9 | -1.4 | 0 | 0 | 0 | 106 | N195 D199 | N195-N197 PolarHBondContact O-N 3.16Å; N197-D199 PolarHBondContact O-N 3.25Å | ||
| 198 | N | 32.2 | Very low | 29 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 52.8 | 170.8 | -69 | -30.2 | 0 | 0 | 0 | 110.6 | N196 L200 | N196-N198 PolarHBondContact O-N 2.9Å; N198-L200 PolarHBondContact O-N 3.2Å | ||
| 199 | D | 27.6 | Very low | 29.5 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | trans | -63.9 | 111.5 | 169.1 | -72.7 | -17.5 | 0 | 0 | 0 | 106.2 | N197 Q201 | N197-D199 PolarHBondContact O-N 3.25Å; D199-Q201 PolarHBondContact O-N 3.05Å | ||
| 200 | L | 29.2 | Very low | 30 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -49.3 | 102.4 | 176.4 | -76.7 | 151.7 | 0 | 0 | 0 | 108.7 | N198 L202 | N198-L200 PolarHBondContact O-N 3.2Å; L200-L202 PolarHBondContact O-N 3.5Å; L200-L202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | Q | 27.1 | Very low | 30.6 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -66.7 | 113.1 | 170.6 | -68.4 | -174.1 | 9.4 | 0 | 0 | 107.2 | D199 Y203 | D199-Q201 PolarHBondContact O-N 3.05Å; Q201-Y203 PolarHBondContact O-N 3.08Å; Q201-Y203 VanDerWaalsContact O-N 3.14Å | ||
| 202 | L | 31.8 | Very low | 31 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 71% | 0.707 | S | S | * | * | trans | -58.9 | 114.7 | 175 | -166.6 | 76.1 | 0 | 0 | 0 | 107.6 | L200 E204 | L200-L202 PolarHBondContact O-N 3.5Å; L200-L202 VanDerWaalsContact O-N 3.1Å; L202-E204 PolarHBondContact O-N 3.38Å | ||
| 203 | Y | 33.2 | Very low | 31.5 | Very low | 215 Ų | 215 | 132.5 Ų | 132.5 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 127.7 | 176.7 | -75.3 | -91.3 | 0 | 0 | 0 | 109.6 | Q201 L205 | Q201-Y203 PolarHBondContact O-N 3.08Å; Q201-Y203 VanDerWaalsContact O-N 3.14Å; Y203-L205 PolarHBondContact O-N 2.83Å |
| 204 | E | 30.5 | Very low | 32.1 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.7 | 169.3 | -170.3 | 170.2 | -166.3 | 0 | 0 | 108 | L202 | L202-E204 PolarHBondContact O-N 3.38Š|
| 205 | L | 30.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 132 Ų | 132 | 46% | 0.461 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 138.3 | -179.3 | -67.2 | 174.3 | 0 | 0 | 0 | 109.4 | Y203 E209 L210 | Y203-L205 PolarHBondContact O-N 2.83Å; L205-E209 HydrophobicContact CB-CB 4.09Å; L205-E209 HydrophobicContact CD2-CB 4.02Å; L205-L210 HydrophobicContact CD1-CD1 4.43Å |
| 206 | T | 33.3 | Very low | 33 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 153.7 | 168.4 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | N208 E209 L210 | T206-N208 PolarHBondContact O-N 2.88Å; T206-E209 PolarHBondContact N-OE2 3.09Å; T206-E209 WeakPolarHBondContact O-CA 3.48Å; T206-E209 WeakPolarHBondContact O-CB 3.48Å; T206-E209 PolarHBondContact O-N 3Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 VanDerWaalsContact OG1-CG 3.32Å; T206-E209 WeakPolarHBondContact OG1-CG 3.46Å; T206-E209 PolarHBondContact OG1-OE2 3.49Å; T206-L210 PolarHBondContact O-N 3.42Å |
| 207 | E | 31.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52.6 | -36.1 | -173.9 | -149.6 | 169.2 | -156.8 | 0 | 0 | 112.7 | L210 I211 | E207-L210 PolarHBondContact O-N 3.41Å; E207-I211 WeakPolarHBondContact O-CD1 3.36Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.37Å; E207-I211 PolarHBondContact O-N 3.17Å; E207-I211 VanDerWaalsContact O-N 3.15Å |
| 208 | N | 37.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.6 | -37.3 | 175.1 | -66.7 | -25.6 | 0 | 0 | 0 | 113.3 | T206 L212 | T206-N208 PolarHBondContact O-N 2.88Å; N208-L212 WeakPolarHBondContact O-CG 3.23Å; N208-L212 PolarHBondContact O-N 3.3Å; N208-L212 VanDerWaalsContact O-N 3.15Å |
| 209 | E | 34.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 127 Ų | 127 | 45% | 0.449 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74 | -32.1 | 177.3 | -67.3 | 171.2 | 142.6 | 0 | 0 | 111.7 | L205 T206 L212 S213 | L205-E209 HydrophobicContact CB-CB 4.09Å; L205-E209 HydrophobicContact CD2-CB 4.02Å; T206-E209 PolarHBondContact N-OE2 3.09Å; T206-E209 WeakPolarHBondContact O-CA 3.48Å; T206-E209 WeakPolarHBondContact O-CB 3.48Å; T206-E209 PolarHBondContact O-N 3Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 VanDerWaalsContact OG1-CG 3.32Å; T206-E209 WeakPolarHBondContact OG1-CG 3.46Å; T206-E209 PolarHBondContact OG1-OE2 3.49Å; E209-L212 PolarHBondContact O-N 3.48Å; E209-S213 WeakPolarHBondContact O-CB 3.42Å; E209-S213 PolarHBondContact O-N 3.08Å |
| 210 | L | 36.5 | Very low | 33.9 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.9 | -47.5 | 171.7 | -169.6 | 78.4 | 0 | 0 | 0 | 110.7 | L205 T206 E207 L212 S213 E214 | L205-L210 HydrophobicContact CD1-CD1 4.43Å; T206-L210 PolarHBondContact O-N 3.42Å; E207-L210 PolarHBondContact O-N 3.41Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-S213 WeakPolarHBondContact CA-OG 3.29Å; L210-S213 WeakPolarHBondContact O-CA 3.49Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.36Å; L210-S213 PolarHBondContact O-OG 3.27Å; L210-E214 PolarHBondContact O-N 3.33Å |
| 211 | I | 35.4 | Very low | 34 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.9 | -42.1 | 176.9 | -66.1 | 163.2 | 0 | 0 | 0 | 110.7 | E207 S213 E214 L215 | E207-I211 WeakPolarHBondContact O-CD1 3.36Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.37Å; E207-I211 PolarHBondContact O-N 3.17Å; E207-I211 VanDerWaalsContact O-N 3.15Å; I211-S213 VanDerWaalsContact C-N 3.29Å; I211-S213 PolarHBondContact O-N 3.38Å; I211-E214 PolarHBondContact O-N 3.4Å; I211-L215 HydrophobicContact CG2-CD1 4.23Å; I211-L215 WeakPolarHBondContact O-CG 3.29Å; I211-L215 PolarHBondContact O-N 2.96Å; I211-L215 VanDerWaalsContact O-N 3.14Å |
| 212 | L | 36.4 | Very low | 34.4 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.5 | -31.3 | 176.2 | -69.6 | 172.1 | 0 | 0 | 0 | 112.7 | N208 E209 L210 L215 D216 | N208-L212 WeakPolarHBondContact O-CG 3.23Å; N208-L212 PolarHBondContact O-N 3.3Å; N208-L212 VanDerWaalsContact O-N 3.15Å; E209-L212 PolarHBondContact O-N 3.48Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-D216 PolarHBondContact O-N 3.44Å; L212-D216 VanDerWaalsContact O-N 3.17Å |
| 213 | S | 32.4 | Very low | 34.4 | Very low | 23 Ų | 23 | 118.9 Ų | 118.9 | 16% | 0.161 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -69.3 | -34.4 | 174.8 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | E209 L210 I211 L215 L219 | E209-S213 WeakPolarHBondContact O-CB 3.42Å; E209-S213 PolarHBondContact O-N 3.08Å; L210-S213 WeakPolarHBondContact CA-OG 3.29Å; L210-S213 WeakPolarHBondContact O-CA 3.49Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.36Å; L210-S213 PolarHBondContact O-OG 3.27Å; I211-S213 VanDerWaalsContact C-N 3.29Å; I211-S213 PolarHBondContact O-N 3.38Å; S213-L215 VanDerWaalsContact C-N 3.33Å; S213-L219 WeakPolarHBondContact O-CB 3.19Å |
| 214 | E | 39.5 | Very low | 34.2 | Very low | 159 Ų | 159 | 111.2 Ų | 111.2 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -29.3 | 172.6 | -72.8 | -173.9 | 167.3 | 0 | 0 | 112.4 | L210 I211 | L210-E214 PolarHBondContact O-N 3.33Å; I211-E214 PolarHBondContact O-N 3.4Å |
| 215 | L | 35.3 | Very low | 34.2 | Very low | 127 Ų | 127 | 110.2 Ų | 110.2 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -82 | -14.3 | 178.2 | -67.5 | 174.8 | 0 | 0 | 0 | 114.1 | I211 L212 S213 P217 | I211-L215 HydrophobicContact CG2-CD1 4.23Å; I211-L215 WeakPolarHBondContact O-CG 3.29Å; I211-L215 PolarHBondContact O-N 2.96Å; I211-L215 VanDerWaalsContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.31Å; S213-L215 VanDerWaalsContact C-N 3.33Å; L215-P217 WeakPolarHBondContact O-CD 3.08Å |
| 216 | D | 36.7 | Very low | 34.2 | Very low | 47 Ų | 47 | 111.8 Ų | 111.8 | 25% | 0.251 | 58% | 0.582 | S | S | . | * | trans | -88.4 | 108.3 | 173.5 | -167.5 | -12.7 | 0 | 0 | 0 | 109.8 | L212 R218 L219 | L212-D216 PolarHBondContact O-N 3.44Å; L212-D216 VanDerWaalsContact O-N 3.17Å; D216-R218 PolarHBondContact O-N 3.06Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 3.48Å; D216-R218 IonicContact OD1-NE 3.44Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD2-NE 3.96Å; D216-L219 HydrophobicContact CB-CB 4.31Å; D216-L219 HydrophobicContact CB-CD1 4.12Å; D216-L219 HydrophobicContact CB-CG 4.45Å; D216-L219 WeakPolarHBondContact O-CA 3.27Å; D216-L219 PolarHBondContact O-N 3.08Å | ||
| 217 | P | 39.1 | Very low | 33.9 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -61.5 | -15 | 178.8 | 22.8 | -32 | 0 | 0 | 0 | 113.5 | L215 L219 N220 | L215-P217 WeakPolarHBondContact O-CD 3.08Å; P217-L219 VanDerWaalsContact C-N 3.3Å; P217-N220 WeakPolarHBondContact O-CB 3.01Å; P217-N220 PolarHBondContact O-N 2.83Å |
| 218 | R | 33.2 | Very low | 33.6 | Very low | 211 Ų | 211 | 118.4 Ų | 118.4 | 80% | 0.796 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -75.1 | -21.2 | 171.6 | -68.3 | 178.4 | -86 | -168.7 | -11.3 | 113.2 | D216 N220 | D216-R218 PolarHBondContact O-N 3.06Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 3.48Å; D216-R218 IonicContact OD1-NE 3.44Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD2-NE 3.96Å; R218-N220 VanDerWaalsContact C-N 3.3Å |
| 219 | L | 34.4 | Very low | 33.1 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -96.3 | 30.6 | 172.7 | -74.5 | 165.6 | 0 | 0 | 0 | 110.6 | S213 D216 P217 V221 | S213-L219 WeakPolarHBondContact O-CB 3.19Å; D216-L219 HydrophobicContact CB-CB 4.31Å; D216-L219 HydrophobicContact CB-CD1 4.12Å; D216-L219 HydrophobicContact CB-CG 4.45Å; D216-L219 WeakPolarHBondContact O-CA 3.27Å; D216-L219 PolarHBondContact O-N 3.08Å; P217-L219 VanDerWaalsContact C-N 3.3Å; L219-V221 WeakPolarHBondContact O-CG2 3.44Å; L219-V221 PolarHBondContact O-N 3.15Å |
| 220 | N | 32.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | trans | -66.3 | 84 | 169.2 | -158.8 | 2.9 | 0 | 0 | 0 | 109 | P217 R218 L222 | P217-N220 WeakPolarHBondContact O-CB 3.01Å; P217-N220 PolarHBondContact O-N 2.83Å; R218-N220 VanDerWaalsContact C-N 3.3Å; N220-L222 PolarHBondContact O-N 3.3Å | ||
| 221 | V | 32.4 | Very low | 32.3 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -74.8 | 54.3 | -176 | -169.4 | 0 | 0 | 0 | 0 | 109.2 | L219 S224 I226 | L219-V221 WeakPolarHBondContact O-CG2 3.44Å; L219-V221 PolarHBondContact O-N 3.15Å; V221-S224 VanDerWaalsContact CG1-CB 3.49Å; V221-S224 WeakPolarHBondContact CG1-OG 3.39Å; V221-I226 HydrophobicContact CG1-CD1 4.05Å | ||
| 222 | L | 35.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -82.7 | -20.7 | 173.7 | -78.8 | 170.2 | 0 | 0 | 0 | 112.2 | N220 | N220-L222 PolarHBondContact O-N 3.3Š|
| 223 | N | 31.2 | Very low | 31.5 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -117.4 | 7.8 | -175.5 | -77 | -7.3 | 0 | 0 | 0 | 115.3 | N225 | N223-N225 PolarHBondContact O-N 2.77Š|
| 224 | S | 29.9 | Very low | 31.3 | Very low | 55 Ų | 55 | 141.4 Ų | 141.4 | 39% | 0.385 | 70% | 0.697 | S | S | . | * | trans | -73.5 | 120.2 | 169 | 75.1 | 0 | 0 | 0 | 0 | 108.2 | V221 I226 | V221-S224 VanDerWaalsContact CG1-CB 3.49Å; V221-S224 WeakPolarHBondContact CG1-OG 3.39Å; S224-I226 PolarHBondContact O-N 3.03Å; S224-I226 WeakPolarHBondContact OG-CD1 3.48Å; S224-I226 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 225 | N | 29.1 | Very low | 30.6 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | trans | -66 | 48.8 | 163.4 | -73.7 | -37.7 | 0 | 0 | 0 | 110.7 | N223 K227 | N223-N225 PolarHBondContact O-N 2.77Å; N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.96Å | ||
| 226 | I | 30.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -61.3 | 101.6 | 164.7 | -70.4 | 167.3 | 0 | 0 | 0 | 104 | V221 S224 K228 | V221-I226 HydrophobicContact CG1-CD1 4.05Å; S224-I226 PolarHBondContact O-N 3.03Å; S224-I226 WeakPolarHBondContact OG-CD1 3.48Å; S224-I226 WeakPolarHBondContact OG-CG1 3.38Å; I226-K228 PolarHBondContact O-N 3.34Å | ||
| 227 | K | 27.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | -39.2 | 115.4 | 169.8 | -80 | 174.7 | 175.1 | 174.1 | 0 | 106.1 | N225 I229 | N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.96Å; K227-I229 PolarHBondContact O-N 3.39Å | ||
| 228 | K | 26 | Very low | 29.3 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 86% | 0.861 | 71% | 0.706 | S | S | * | * | trans | -50.2 | 91.4 | 172.7 | -75.7 | 173.6 | 177.3 | 170.7 | 0 | 107.1 | I226 N230 | I226-K228 PolarHBondContact O-N 3.34Å; K228-N230 PolarHBondContact O-N 3.45Å | ||
| 229 | I | 27.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | trans | -59.2 | 115.9 | 169.6 | -68.6 | 171.6 | 0 | 0 | 0 | 102.9 | K227 K231 | K227-I229 PolarHBondContact O-N 3.39Å; I229-K231 PolarHBondContact O-N 3.03Å | ||
| 230 | N | 26.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -30.2 | 121 | -170.3 | -73.3 | -40.5 | 0 | 0 | 0 | 110.6 | K228 I232 | K228-N230 PolarHBondContact O-N 3.45Å; N230-I232 WeakPolarHBondContact O-CG1 3.4Å; N230-I232 PolarHBondContact O-N 3.05Å | ||
| 231 | K | 26.7 | Very low | 28.7 | Very low | 208 Ų | 208 | 146.9 Ų | 146.9 | 90% | 0.904 | 72% | 0.724 | S | S | * | * | trans | -28.8 | 83.9 | 170.5 | -71.4 | 174.1 | 174.1 | 178.5 | 0 | 110.4 | I229 K233 | I229-K231 PolarHBondContact O-N 3.03Å; K231-K233 PolarHBondContact O-N 3.26Å | ||
| 232 | I | 27.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | -63.9 | 113.4 | 165 | -65.6 | 177.7 | 0 | 0 | 0 | 100.4 | N230 F234 | N230-I232 WeakPolarHBondContact O-CG1 3.4Å; N230-I232 PolarHBondContact O-N 3.05Å; I232-F234 VanDerWaalsContact C-N 3.31Å; I232-F234 WeakPolarHBondContact O-CD2 3.49Å; I232-F234 PolarHBondContact O-N 3.14Å | ||
| 233 | K | 26.6 | Very low | 28.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | -38.7 | 96.7 | -178.3 | -74.3 | 173.3 | 170.3 | 178.8 | 0 | 109.2 | K231 I235 | K231-K233 PolarHBondContact O-N 3.26Å; K233-I235 HydrophobicContact CB-CB 4.06Å; K233-I235 HydrophobicContact CB-CD1 3.91Å; K233-I235 HydrophobicContact CB-CG1 3.79Å; K233-I235 HydrophobicContact CD-CD1 3.9Å; K233-I235 HydrophobicContact CG-CD1 3.66Å; K233-I235 HydrophobicContact CG-CG1 4.12Å; K233-I235 PolarHBondContact O-N 3.16Å | ||
| 234 | F | 28.4 | Very low | 28.2 | Very low | 212 Ų | 212 | 151.7 Ų | 151.7 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -69.2 | 34.9 | 158.7 | -85.6 | -85.4 | 0 | 0 | 0 | 109.4 | I232 D236 | I232-F234 VanDerWaalsContact C-N 3.31Å; I232-F234 WeakPolarHBondContact O-CD2 3.49Å; I232-F234 PolarHBondContact O-N 3.14Å; F234-D236 PolarHBondContact O-N 2.94Å | ||
| 235 | I | 24.8 | Very low | 28.1 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | trans | -83 | 109.2 | 178.1 | -62.1 | -179.6 | 0 | 0 | 0 | 105 | K233 | K233-I235 HydrophobicContact CB-CB 4.06Å; K233-I235 HydrophobicContact CB-CD1 3.91Å; K233-I235 HydrophobicContact CB-CG1 3.79Å; K233-I235 HydrophobicContact CD-CD1 3.9Å; K233-I235 HydrophobicContact CG-CD1 3.66Å; K233-I235 HydrophobicContact CG-CG1 4.12Å; K233-I235 PolarHBondContact O-N 3.16Å | ||
| 236 | D | 29.3 | Very low | 28 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | S | Bend | trans | 87 | 25.1 | 155.2 | -59.5 | -20.7 | 0 | 0 | 0 | 121.2 | F234 | F234-D236 PolarHBondContact O-N 2.94Š|
| 237 | L | 28.1 | Very low | 27.8 | Very low | 140 Ų | 140 | 159.2 Ų | 159.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -80.2 | -28.6 | 156.5 | -117 | 101.2 | 0 | 0 | 0 | 113 | Q239 K240 | L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 2.97Å; L237-K240 PolarHBondContact O-N 2.8Å |
| 238 | N | 27.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -12.1 | -177.9 | -73.4 | -8.8 | 0 | 0 | 0 | 114.5 | ||
| 239 | Q | 29.2 | Very low | 27.8 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -14.4 | 175.8 | -72.4 | -168 | 13.1 | 0 | 0 | 113.8 | L237 | L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 2.97Å |
| 240 | K | 29.9 | Very low | 27.8 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -12.9 | 177.3 | -108.1 | 178.6 | 178.9 | 177.9 | 0 | 114.7 | L237 N242 | L237-K240 PolarHBondContact O-N 2.8Å; K240-N242 PolarHBondContact O-N 3.29Å |
| 241 | I | 27.1 | Very low | 27.8 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -93.3 | 63.3 | 174.1 | -49.4 | 173.6 | 0 | 0 | 0 | 108.1 | ||
| 242 | N | 25.2 | Very low | 27.6 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -142.3 | 92.2 | 174.9 | -137.9 | -3.8 | 0 | 0 | 0 | 108.2 | K240 | K240-N242 PolarHBondContact O-N 3.29Š| ||
| 243 | K | 33.1 | Very low | 27.5 | Very low | 192 Ų | 192 | 154.3 Ų | 154.3 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | S | Bend | -176.3 | -23.7 | 122.7 | -99.6 | 174.3 | -177.1 | -175.6 | 0 | 115.5 | |||
| 244 | N | 30.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -135.3 | 100.7 | -176.9 | -59.6 | -16.7 | 0 | 0 | 0 | 109.2 | ||
| 245 | N | 28 | Very low | 27.8 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 156.7 | 105.7 | 140.6 | -74.3 | -7.6 | 0 | 0 | 0 | 109.7 | ||
| 246 | E | 27.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 31.6 | 98.1 | 143 | -62.8 | 179.1 | 174.2 | 0 | 0 | 116.3 | L248 | E246-L248 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact O-N 3.07Å | ||
| 247 | I | 26.9 | Very low | 27.9 | Very low | 162 Ų | 162 | 153 Ų | 153 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -47.6 | 112.8 | 167.7 | -62.4 | 163.1 | 0 | 0 | 0 | 108.5 | ||||
| 248 | L | 27 | Very low | 27.9 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 127.4 | 168.7 | -84.6 | 100.1 | 0 | 0 | 0 | 108.2 | E246 I250 | E246-L248 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact O-N 3.07Å; L248-I250 PolarHBondContact O-N 3.49Å | ||
| 249 | P | 25.6 | Very low | 27.7 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -64.1 | 114.2 | -179.5 | 23.2 | -30 | 0 | 0 | 0 | 109.4 | Y251 | P249-Y251 PolarHBondContact O-N 3.13Š| ||
| 250 | I | 27.6 | Very low | 27.6 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 116.9 | 173 | -60.6 | 171.2 | 0 | 0 | 0 | 107.2 | L248 Q252 | L248-I250 PolarHBondContact O-N 3.49Å; I250-Q252 PolarHBondContact O-N 3.21Å; I250-Q252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | Y | 26.2 | Very low | 27.6 | Very low | 232 Ų | 232 | 154.4 Ų | 154.4 | 91% | 0.91 | 76% | 0.764 | S | S | * | * | trans | -58.1 | 112 | 174.6 | -106.5 | -101.4 | 0 | 0 | 0 | 110 | P249 | P249-Y251 PolarHBondContact O-N 3.13Š| ||
| 252 | Q | 23.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -94.9 | 137.3 | 162.4 | -96.9 | -179.7 | -10.7 | 0 | 0 | 109.6 | I250 | I250-Q252 PolarHBondContact O-N 3.21Å; I250-Q252 VanDerWaalsContact O-N 3.16Å | ||
| 253 | S | 24.6 | Very low | 27.9 | Very low | 87 Ų | 87 | 156.5 Ų | 156.5 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -65.1 | 133.8 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | E255 H256 | S253-E255 PolarHBondContact O-N 3.32Å; S253-E255 VanDerWaalsContact O-N 3.08Å; S253-H256 PolarHBondContact O-N 2.74Å | ||
| 254 | I | 29.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 152 Ų | 152 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -63.2 | -17.1 | -173 | -66 | 165.6 | 0 | 0 | 0 | 113.2 | H256 T257 I258 | I254-H256 PolarHBondContact O-N 3.44Å; I254-H256 VanDerWaalsContact O-N 3.12Å; I254-T257 WeakPolarHBondContact CA-OG1 3.39Å; I254-T257 PolarHBondContact O-N 3.42Å; I254-T257 PolarHBondContact O-OG1 3.25Å; I254-I258 HydrophobicContact CG2-CD1 3.59Å; I254-I258 HydrophobicContact CG2-CG1 3.97Å |
| 255 | E | 30.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -59.9 | -26 | -177.9 | -64.7 | -174.5 | 176 | 0 | 0 | 113.1 | S253 | S253-E255 PolarHBondContact O-N 3.32Å; S253-E255 VanDerWaalsContact O-N 3.08Å |
| 256 | H | 27 | Very low | 27.6 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -87.3 | -13 | 175.7 | -90.5 | -130.2 | 0 | 0 | 0 | 114.6 | S253 I254 | S253-H256 PolarHBondContact O-N 2.74Å; I254-H256 PolarHBondContact O-N 3.44Å; I254-H256 VanDerWaalsContact O-N 3.12Å |
| 257 | T | 29.4 | Very low | 27.6 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -13.9 | -175.8 | 34.2 | 0 | 0 | 0 | 0 | 115.1 | I254 | I254-T257 WeakPolarHBondContact CA-OG1 3.39Å; I254-T257 PolarHBondContact O-N 3.42Å; I254-T257 PolarHBondContact O-OG1 3.25Å |
| 258 | I | 27.9 | Very low | 27.5 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -92.3 | -7.5 | -171.2 | -59.9 | 179.2 | 0 | 0 | 0 | 113.7 | I254 | I254-I258 HydrophobicContact CG2-CD1 3.59Å; I254-I258 HydrophobicContact CG2-CG1 3.97Å |
| 259 | Y | 25.3 | Very low | 27.4 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -109.8 | 47.7 | -175.1 | -71.7 | -74.9 | 0 | 0 | 0 | 115 | ||
| 260 | K | 27 | Very low | 27.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -154 | 66.8 | 158.7 | -72.7 | -157.6 | 179.1 | -177 | 0 | 111.7 | ||||
| 261 | D | 29.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -124.8 | 94.8 | 156.8 | -81.6 | -31.4 | 0 | 0 | 0 | 108 | L263 | D261-L263 HydrophobicContact CB-CD1 4.24Å; D261-L263 PolarHBondContact O-N 3.41Å | ||
| 262 | D | 28.2 | Very low | 27.4 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -63 | 80.6 | 167.6 | -69.3 | -44.4 | 0 | 0 | 0 | 109.1 | ||||
| 263 | L | 29.7 | Very low | 27.6 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -115.5 | 97.6 | 172.5 | -82.9 | 154.5 | 0 | 0 | 0 | 109.1 | D261 | D261-L263 HydrophobicContact CB-CD1 4.24Å; D261-L263 PolarHBondContact O-N 3.41Å | ||
| 264 | S | 27.6 | Very low | 27.7 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -30.8 | 143.1 | 171 | 46.4 | 0 | 0 | 0 | 0 | 115.8 | S266 | S264-S266 PolarHBondContact O-N 3.28Å; S264-S266 VanDerWaalsContact O-N 3.14Å | ||
| 265 | P | 31.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 151 Ų | 151 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -79.9 | 100.4 | -171.6 | 32.6 | -32.7 | 0 | 0 | 0 | 111 | ||||
| 266 | S | 26.9 | Very low | 27.4 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 111.8 | 163.7 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | S264 | S264-S266 PolarHBondContact O-N 3.28Å; S264-S266 VanDerWaalsContact O-N 3.14Å | ||
| 267 | T | 28.4 | Very low | 27.6 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 80.2 | 155.6 | 45.6 | 0 | 0 | 0 | 0 | 118.3 | S269 | T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | I | 24.8 | Very low | 27.6 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | -44.8 | 105.7 | 135.8 | -63.8 | 161 | 0 | 0 | 0 | 108.7 | ||||
| 269 | S | 24.8 | Very low | 27.5 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -162.8 | 132.7 | 159.5 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | T267 | T267-S269 PolarHBondContact O-N 3.46Å; T267-S269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | K | 27.9 | Very low | 27.6 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 45.1 | 169.6 | -51.4 | -179.6 | -177.1 | 174.3 | 0 | 117.4 | N272 | K270-N272 VanDerWaalsContact C-N 3.29Å; K270-N272 PolarHBondContact O-N 3.42Å | ||
| 271 | C | 23.9 | Very low | 27.7 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 83.6 | 144.8 | -156.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 272 | N | 26.7 | Very low | 27.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -157 | 12.9 | 168.9 | -108.1 | -7.4 | 0 | 0 | 0 | 117.4 | K270 | K270-N272 VanDerWaalsContact C-N 3.29Å; K270-N272 PolarHBondContact O-N 3.42Å | ||
| 273 | T | 27.5 | Very low | 27.4 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -102.6 | 11 | 179 | 13.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 274 | R | 28 | Very low | 27.3 | Very low | 236 Ų | 236 | 148.2 Ų | 148.2 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -93.2 | -1.5 | -177.4 | -80.7 | -168.4 | -177.2 | -160 | 2.5 | 117.2 | ||
| 275 | Q | 28.9 | Very low | 27.2 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -92.8 | -12 | -178.6 | -72.3 | -167.2 | 1.1 | 0 | 0 | 116.1 | ||
| 276 | L | 25.3 | Very low | 26.9 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -86.6 | -13.1 | -178.4 | -95 | 154.7 | 0 | 0 | 0 | 115.5 | ||
| 277 | Q | 30.7 | Very low | 27 | Very low | 144 Ų | 144 | 154 Ų | 154 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -91.5 | -7.4 | -178.1 | -74.1 | -172.1 | 8 | 0 | 0 | 115.2 | ||
| 278 | Q | 28.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -78.6 | -30.1 | -177.7 | -72.4 | -171.9 | -9.6 | 0 | 0 | 113.4 | Q280 R281 | Q278-Q280 PolarHBondContact O-N 3.4Å; Q278-R281 PolarHBondContact O-N 3.15Å |
| 279 | N | 26.6 | Very low | 26.9 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -74.6 | -20.6 | -177.7 | -80 | -17.4 | 0 | 0 | 0 | 114.4 | ||
| 280 | Q | 27.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -80.6 | -21.1 | 177.5 | -71.5 | -171.4 | -2.8 | 0 | 0 | 113.7 | Q278 | Q278-Q280 PolarHBondContact O-N 3.4Å |
| 281 | R | 27.8 | Very low | 27.1 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -77.4 | -24.9 | -177.3 | -69.3 | -166.1 | -168.4 | -152.5 | 2.8 | 114 | Q278 N283 H284 | Q278-R281 PolarHBondContact O-N 3.15Å; R281-N283 VanDerWaalsContact C-N 3.33Å; R281-N283 PolarHBondContact O-N 2.66Å; R281-H284 PolarHBondContact O-N 3.05Å |
| 282 | Q | 26.7 | Very low | 27.2 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -71.1 | -26.6 | -178.3 | -71.8 | -170.5 | -6.2 | 0 | 0 | 113.3 | ||
| 283 | N | 25.9 | Very low | 27.2 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -78.9 | -21.1 | 178.9 | -75.7 | -16.6 | 0 | 0 | 0 | 113.9 | R281 | R281-N283 VanDerWaalsContact C-N 3.33Å; R281-N283 PolarHBondContact O-N 2.66Å |
| 284 | H | 26.8 | Very low | 27.1 | Very low | 144 Ų | 144 | 156.9 Ų | 156.9 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -79.9 | -26.5 | -179 | -92.9 | 50.8 | 0 | 0 | 0 | 113.8 | R281 R286 | R281-H284 PolarHBondContact O-N 3.05Å; H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 3.48Å |
| 285 | C | 26.5 | Very low | 27 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 64% | 0.635 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -71.9 | -26.4 | -179.5 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | Q287 M288 | C285-Q287 VanDerWaalsContact C-N 3.33Å; C285-Q287 PolarHBondContact O-N 3.41Å; C285-M288 PolarHBondContact O-N 3.46Å |
| 286 | R | 24.5 | Very low | 27 | Very low | 218 Ų | 218 | 154 Ų | 154 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -16.9 | -179.3 | -88.7 | -170.6 | 175.5 | -176 | -0.2 | 114.7 | H284 | H284-R286 VanDerWaalsContact C-N 3.34Å; H284-R286 PolarHBondContact O-N 3.48Å |
| 287 | Q | 28.7 | Very low | 26.9 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -15.4 | 175.9 | -84.3 | -176.7 | -12.3 | 0 | 0 | 113.5 | C285 | C285-Q287 VanDerWaalsContact C-N 3.33Å; C285-Q287 PolarHBondContact O-N 3.41Å |
| 288 | M | 26.4 | Very low | 26.7 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 62% | 0.621 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -78.8 | -24.1 | -175.6 | -75.7 | -70.6 | -173.1 | 0 | 0 | 113.8 | C285 H290 F291 | C285-M288 PolarHBondContact O-N 3.46Å; M288-H290 PolarHBondContact O-N 3.43Å; M288-H290 VanDerWaalsContact O-N 3.16Å; M288-F291 PolarHBondContact O-N 3.41Å |
| 289 | D | 25.3 | Very low | 26.7 | Very low | 134 Ų | 134 | 158.1 Ų | 158.1 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -68.5 | -13.6 | 179.6 | -72.9 | -23.7 | 0 | 0 | 0 | 113.3 | ||
| 290 | H | 28 | Very low | 26.7 | Very low | 169 Ų | 169 | 159.5 Ų | 159.5 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -86.3 | -11.1 | 176.9 | -84 | 12.1 | 0 | 0 | 0 | 114.9 | M288 | M288-H290 PolarHBondContact O-N 3.43Å; M288-H290 VanDerWaalsContact O-N 3.16Å |
| 291 | F | 27.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 160.7 Ų | 160.7 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -95 | -1.1 | -176.1 | -91.6 | -81 | 0 | 0 | 0 | 115.1 | M288 | M288-F291 PolarHBondContact O-N 3.41Š|
| 292 | H | 27.3 | Very low | 26.8 | Very low | 180 Ų | 180 | 159.3 Ų | 159.3 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -89.2 | 8.1 | 176.4 | -75.5 | -4.1 | 0 | 0 | 0 | 114.9 | ||
| 293 | Q | 26 | Very low | 26.7 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -108.3 | 11.2 | 178 | -83.7 | -169.6 | -3.5 | 0 | 0 | 116.1 | Q295 | Q293-Q295 PolarHBondContact O-N 3.45Š|
| 294 | N | 26.7 | Very low | 26.7 | Very low | 135 Ų | 135 | 160.8 Ų | 160.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -81.3 | 94.8 | 170 | -73.9 | -14.8 | 0 | 0 | 0 | 109.8 | L296 | N294-L296 PolarHBondContact O-N 3.39Š| ||
| 295 | Q | 25.8 | Very low | 26.8 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -48.3 | 133.1 | 168.4 | -72.6 | 178.3 | -12.1 | 0 | 0 | 110.1 | Q293 M297 | Q293-Q295 PolarHBondContact O-N 3.45Å; Q295-M297 PolarHBondContact O-N 3.26Å | ||
| 296 | L | 26.8 | Very low | 27 | Very low | 173 Ų | 173 | 163.6 Ų | 163.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -49 | 102.1 | 171.6 | -78.2 | 140.3 | 0 | 0 | 0 | 109.6 | N294 D298 | N294-L296 PolarHBondContact O-N 3.39Å; L296-D298 PolarHBondContact O-N 3.08Å | ||
| 297 | M | 23.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 161.3 Ų | 161.3 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -73.7 | 115.9 | 171.8 | -83.1 | -75.1 | -146.5 | 0 | 0 | 108.7 | Q295 Y299 | Q295-M297 PolarHBondContact O-N 3.26Å; M297-Y299 PolarHBondContact O-N 3.28Å | ||
| 298 | D | 27.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 160.8 Ų | 160.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 124.8 | 176.8 | -82.9 | -37.9 | 0 | 0 | 0 | 111.6 | L296 N300 | L296-D298 PolarHBondContact O-N 3.08Å; D298-N300 PolarHBondContact O-N 3.26Å | ||
| 299 | Y | 27.7 | Very low | 27.6 | Very low | 218 Ų | 218 | 161 Ų | 161 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 23.1 | -170.1 | -107.7 | -93.9 | 0 | 0 | 0 | 116 | M297 | M297-Y299 PolarHBondContact O-N 3.28Š|
| 300 | N | 28 | Very low | 27.8 | Very low | 159 Ų | 159 | 159 Ų | 159 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 8.6 | -175.6 | -78.5 | -20.5 | 0 | 0 | 0 | 115.4 | D298 | D298-N300 PolarHBondContact O-N 3.26Š|
| 301 | Q | 28.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -119.9 | 9 | 179.5 | -79.2 | -169.1 | 11.2 | 0 | 0 | 117.2 | G303 | Q301-G303 VanDerWaalsContact C-N 3.27Å; Q301-G303 PolarHBondContact O-N 3.2Å | ||
| 302 | L | 29.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 157 Ų | 157 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -93 | 48.2 | 171 | -85.5 | 114.3 | 0 | 0 | 0 | 113.2 | ||||
| 303 | G | 24.4 | Very low | 29.2 | Very low | 63 Ų | 63 | 155.4 Ų | 155.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 116.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109 | Q301 | Q301-G303 VanDerWaalsContact C-N 3.27Å; Q301-G303 PolarHBondContact O-N 3.2Å | ||
| 304 | R | 25.7 | Very low | 29.6 | Very low | 250 Ų | 250 | 151.3 Ų | 151.3 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 84 | 168.2 | -53.9 | 175.5 | 169 | -177.8 | -3.1 | 116.5 | ||||
| 305 | S | 29.6 | Very low | 30 | Very low | 82 Ų | 82 | 149.1 Ų | 149.1 | 57% | 0.573 | 76% | 0.76 | S | S | * | * | trans | -135.5 | 116.7 | 134.3 | 60.7 | 0 | 0 | 0 | 0 | 109.5 | Q307 | S305-Q307 VanDerWaalsContact C-N 3.3Å; S305-Q307 PolarHBondContact O-N 3.4Å | ||
| 306 | K | 29.6 | Very low | 30.4 | Very low | 215 Ų | 215 | 143.6 Ų | 143.6 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -65.6 | 91 | 171.5 | -70.9 | 175.4 | 175.6 | 179.9 | 0 | 107 | T308 | K306-T308 PolarHBondContact O-N 3.31Š| ||
| 307 | Q | 31.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -84.2 | 111.3 | 168.7 | -77 | -171.9 | 0.9 | 0 | 0 | 108.8 | S305 I309 | S305-Q307 VanDerWaalsContact C-N 3.3Å; S305-Q307 PolarHBondContact O-N 3.4Å; Q307-I309 PolarHBondContact O-N 3.28Å | ||
| 308 | T | 30.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | trans | -52.2 | 113.7 | 176.1 | -19.5 | 0 | 0 | 0 | 0 | 110 | K306 | K306-T308 PolarHBondContact O-N 3.31Š| ||
| 309 | I | 30.1 | Very low | 31.7 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | trans | -68.3 | 126.3 | 175.4 | -60.8 | 170 | 0 | 0 | 0 | 108 | Q307 S311 | Q307-I309 PolarHBondContact O-N 3.28Å; I309-S311 PolarHBondContact O-N 3.14Å | ||
| 310 | P | 30 | Very low | 32 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | trans | -65.4 | 129.4 | -179.3 | 23.5 | -30.6 | 0 | 0 | 0 | 111.1 | K312 F313 | P310-K312 PolarHBondContact O-N 3.35Å; P310-F313 PolarHBondContact O-N 2.91Å; P310-F313 VanDerWaalsContact O-N 3.14Å | ||
| 311 | S | 37.7 | Very low | 32.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -17.5 | -169.3 | 57.1 | 0 | 0 | 0 | 0 | 116.3 | I309 F313 V314 | I309-S311 PolarHBondContact O-N 3.14Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.4Å; S311-V314 PolarHBondContact O-N 2.86Å |
| 312 | K | 40.4 | Very low | 32.8 | Very low | 180 Ų | 180 | 123.2 Ų | 123.2 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68 | -21.7 | 177.1 | -74.5 | -173.5 | 175.7 | -178.9 | 0 | 114 | P310 | P310-K312 PolarHBondContact O-N 3.35Å |
| 313 | F | 32.9 | Very low | 33.3 | Very low | 146 Ų | 146 | 120 Ų | 120 | 64% | 0.64 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.6 | -19.2 | 176.1 | -95 | -84.2 | 0 | 0 | 0 | 113.5 | P310 S311 | P310-F313 PolarHBondContact O-N 2.91Å; P310-F313 VanDerWaalsContact O-N 3.14Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.4Å |
| 314 | V | 34.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 122 Ų | 122 | 53% | 0.527 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.6 | -36.6 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | S311 L317 V318 | S311-V314 PolarHBondContact O-N 2.86Å; V314-L317 PolarHBondContact O-N 3.08Å; V314-V318 WeakPolarHBondContact O-CG2 3.34Å; V314-V318 PolarHBondContact O-N 3.29Å |
| 315 | T | 36.2 | Very low | 34.5 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.8 | -39.8 | 177.7 | 19.3 | 0 | 0 | 0 | 0 | 112.9 | L317 V318 D319 | T315-L317 VanDerWaalsContact C-N 3.27Å; T315-L317 PolarHBondContact O-N 2.81Å; T315-V318 PolarHBondContact O-N 3.3Å; T315-D319 PolarHBondContact O-N 3.46Å; T315-D319 VanDerWaalsContact O-N 3.12Å |
| 316 | A | 34.7 | Very low | 34.9 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -65.7 | -29.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 317 | L | 35.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 121 Ų | 121 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.7 | -31.1 | 176.8 | -99.5 | 149.8 | 0 | 0 | 0 | 112.8 | V314 T315 A321 | V314-L317 PolarHBondContact O-N 3.08Å; T315-L317 VanDerWaalsContact C-N 3.27Å; T315-L317 PolarHBondContact O-N 2.81Å; L317-A321 PolarHBondContact O-N 3.46Å |
| 318 | V | 37 | Very low | 35.4 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 47% | 0.473 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.8 | -39.2 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V314 T315 F320 A321 C322 | V314-V318 WeakPolarHBondContact O-CG2 3.34Å; V314-V318 PolarHBondContact O-N 3.29Å; T315-V318 PolarHBondContact O-N 3.3Å; V318-F320 VanDerWaalsContact C-N 3.31Å; V318-F320 PolarHBondContact O-N 3.36Å; V318-A321 PolarHBondContact O-N 3.12Å; V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.08Å |
| 319 | D | 31.6 | Very low | 35.6 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.3 | -31 | 179.7 | -71.3 | -19.8 | 0 | 0 | 0 | 112.7 | T315 S323 | T315-D319 PolarHBondContact O-N 3.46Å; T315-D319 VanDerWaalsContact O-N 3.12Å; D319-S323 PolarHBondContact O-OG 3.15Å |
| 320 | F | 35.4 | Very low | 36 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.7 | -34.3 | 174.9 | -160.9 | -97.6 | 0 | 0 | 0 | 112.3 | V318 S323 | V318-F320 VanDerWaalsContact C-N 3.31Å; V318-F320 PolarHBondContact O-N 3.36Å; F320-S323 PolarHBondContact O-N 3.15Å |
| 321 | A | 35.1 | Very low | 36.3 | Very low | 68 Ų | 68 | 118.4 Ų | 118.4 | 56% | 0.562 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.9 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L317 V318 S323 | L317-A321 PolarHBondContact O-N 3.46Å; V318-A321 PolarHBondContact O-N 3.12Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.21Å |
| 322 | C | 36.3 | Very low | 36.2 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.5 | -22.3 | 176.4 | -72.7 | 0 | 0 | 0 | 0 | 113.4 | V318 V324 | V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.08Å; C322-V324 VanDerWaalsContact C-N 3.29Å; C322-V324 PolarHBondContact O-N 3.12Å |
| 323 | S | 39.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -0.7 | -179 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | D319 F320 A321 | D319-S323 PolarHBondContact O-OG 3.15Å; F320-S323 PolarHBondContact O-N 3.15Å; A321-S323 VanDerWaalsContact C-N 3.31Å; A321-S323 PolarHBondContact O-N 3.21Å |
| 324 | V | 42.5 | Very low | 36.2 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 2.9 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | C322 | C322-V324 VanDerWaalsContact C-N 3.29Å; C322-V324 PolarHBondContact O-N 3.12Å |
| 325 | H | 34.5 | Very low | 36.3 | Very low | 178 Ų | 178 | 115.4 Ų | 115.4 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | trans | -129.6 | 26.6 | 179.9 | -103.2 | -38.1 | 0 | 0 | 0 | 117.3 | ||||
| 326 | L | 37.6 | Very low | 36.3 | Very low | 228 Ų | 228 | 117.7 Ų | 117.7 | 100% | 1.194 | 67% | 0.672 | S | S | * | * | trans | -123.6 | 0 | 156.9 | -84.4 | 159.3 | 0 | 0 | 0 | 108.3 |
Retrieved 326 of 326 residues in 82.9 ms
(Link to these results)