| 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 | 34.7 | Very low | 37.9 | Very low | 240 Ų | 240 | 145.6 Ų | 145.6 | 100% | 1.182 | 85% | 0.848 | S | S | * | * | 0 | 92.4 | 0 | -81.8 | 169.1 | 144.4 | 0 | 0 | 106 | |||||
| 2 | A | 36.3 | Very low | 39.6 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 85% | 0.848 | S | S | * | * | 71.5 | 124.6 | 97.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 3 | S | 34.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | cis | -172 | 155.3 | 13.6 | 18.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | E | 41.5 | Very low | 42.2 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -56.9 | 153.7 | 172.3 | -71.3 | 158.3 | 110.6 | 0 | 0 | 114 | ||||
| 5 | Q | 35.9 | Very low | 44.1 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -158.1 | 106.2 | 143.9 | -113.6 | 170.5 | 2.9 | 0 | 0 | 111.9 | ||||
| 6 | E | 35.9 | Very low | 45.5 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 142.1 | 157.7 | -74.6 | 178 | 124.9 | 0 | 0 | 110.3 | ||||
| 7 | S | 34.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -121.9 | 107.1 | 168.2 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | S | 34.4 | Very low | 48.1 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 121.1 | 175.1 | 163.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 9 | N | 40.6 | Very low | 49.2 | Very low | 165 Ų | 165 | 146 Ų | 146 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -109.8 | 87.5 | 167.7 | -93.1 | -22.6 | 0 | 0 | 0 | 109.9 | ||||
| 10 | G | 40.2 | Very low | 50.1 | Low | 52 Ų | 52 | 141.4 Ų | 141.4 | 54% | 0.536 | 76% | 0.761 | S | S | . | * | trans | -88.2 | 156.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 11 | P | 48.4 | Very low | 51 | Low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -72.2 | 130 | -173.2 | 27.9 | -32.9 | 0 | 0 | 0 | 112.8 | K13 | P11-K13 PolarHBondContact O-N 3.01Š| ||
| 12 | V | 58.4 | Low | 52.6 | Low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 115.4 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | R14 | V12-R14 PolarHBondContact O-N 2.94Š| ||
| 13 | K | 55 | Low | 53.9 | Low | 201 Ų | 201 | 138.8 Ų | 138.8 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -74.4 | 106.2 | 174.5 | -71.1 | -179.6 | 179.4 | 176.1 | 0 | 109.9 | P11 | P11-K13 PolarHBondContact O-N 3.01Š| ||
| 14 | R | 60 | Low | 55.1 | Low | 167 Ų | 167 | 143 Ų | 143 | 63% | 0.63 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 142.1 | 171.4 | -71.3 | -172.5 | -180 | 174.6 | -1.8 | 112 | V12 | V12-R14 PolarHBondContact O-N 2.94Š| ||
| 15 | S | 70.9 | Confident | 56.1 | Low | 72 Ų | 72 | 138 Ų | 138 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | trans | -66.5 | 144.7 | -174.5 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | R17 E18 K19 | S15-R17 PolarHBondContact O-N 3.32Å; S15-E18 PolarHBondContact O-N 2.98Å; S15-K19 PolarHBondContact O-N 3.33Å | ||
| 16 | M | 66.1 | Low | 57.1 | Low | 168 Ų | 168 | 131.8 Ų | 131.8 | 83% | 0.828 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -53.8 | -28.3 | 177.8 | -78.7 | -115 | -78.8 | 0 | 0 | 113.1 | A20 | M16-A20 WeakPolarHBondContact O-CB 3.16Å; M16-A20 PolarHBondContact O-N 3.32Å; M16-A20 VanDerWaalsContact O-N 3.1Å |
| 17 | R | 68.1 | Low | 58 | Low | 195 Ų | 195 | 128.3 Ų | 128.3 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71 | -36.5 | 177.6 | -170.8 | 174.5 | 175.2 | 172.1 | -2.3 | 112.9 | S15 A20 M21 | S15-R17 PolarHBondContact O-N 3.32Å; R17-A20 PolarHBondContact O-N 3.13Å; R17-M21 PolarHBondContact O-N 2.77Å; R17-M21 VanDerWaalsContact O-N 3.15Å |
| 18 | E | 69.2 | Low | 59.1 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.8 | -43.5 | 175.4 | -75.3 | -179.4 | 140.4 | 0 | 0 | 111 | S15 A20 M21 E22 | S15-E18 PolarHBondContact O-N 2.98Å; E18-A20 PolarHBondContact O-N 3.36Å; E18-M21 PolarHBondContact O-N 3.23Å; E18-M21 VanDerWaalsContact O-N 3.17Å; E18-E22 PolarHBondContact O-N 3.11Å |
| 19 | K | 70.2 | Confident | 60.1 | Low | 123 Ų | 123 | 133.3 Ų | 133.3 | 54% | 0.535 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.2 | -32.5 | 176.2 | -70.6 | -176.4 | 177.6 | 179 | 0 | 112.6 | S15 R23 | S15-K19 PolarHBondContact O-N 3.33Å; K19-R23 WeakPolarHBondContact O-CG 3.41Å; K19-R23 PolarHBondContact O-N 3.34Å |
| 20 | A | 67.2 | Low | 60.8 | Low | 54 Ų | 54 | 133 Ų | 133 | 45% | 0.446 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.4 | -33.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M16 R17 E18 R24 | M16-A20 WeakPolarHBondContact O-CB 3.16Å; M16-A20 PolarHBondContact O-N 3.32Å; M16-A20 VanDerWaalsContact O-N 3.1Å; R17-A20 PolarHBondContact O-N 3.13Å; E18-A20 PolarHBondContact O-N 3.36Å; A20-R24 PolarHBondContact O-N 3.24Å |
| 21 | M | 68.8 | Low | 61.4 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.6 | -40.3 | 175.7 | -72.7 | -150 | -82.1 | 0 | 0 | 112.2 | R17 E18 R23 R24 T25 | R17-M21 PolarHBondContact O-N 2.77Å; R17-M21 VanDerWaalsContact O-N 3.15Å; E18-M21 PolarHBondContact O-N 3.23Å; E18-M21 VanDerWaalsContact O-N 3.17Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 2.84Å; M21-R24 PolarHBondContact O-N 2.81Å; M21-T25 PolarHBondContact O-N 2.93Å; M21-T25 PolarHBondContact O-OG1 3.28Å |
| 22 | E | 67.1 | Low | 61.6 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 52% | 0.519 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.3 | -35.1 | 177.4 | -168.5 | 173.1 | -164.7 | 0 | 0 | 112.6 | E18 R24 T25 T26 | E18-E22 PolarHBondContact O-N 3.11Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-T25 WeakPolarHBondContact CA-OG1 3.26Å; E22-T25 PolarHBondContact O-OG1 2.85Å; E22-T26 PolarHBondContact O-N 3.17Å; E22-T26 PolarHBondContact O-OG1 3Å |
| 23 | R | 63.7 | Low | 61.1 | Low | 196 Ų | 196 | 135.3 Ų | 135.3 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.4 | -25.1 | 173.1 | -73.7 | -178.6 | 177.8 | -167.3 | -1.3 | 113.3 | K19 M21 T26 N27 | K19-R23 WeakPolarHBondContact O-CG 3.41Å; K19-R23 PolarHBondContact O-N 3.34Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 2.84Å; R23-T26 WeakPolarHBondContact CA-OG1 3.44Å; R23-T26 PolarHBondContact O-OG1 3.25Å; R23-N27 WeakPolarHBondContact O-CB 3.46Å; R23-N27 PolarHBondContact O-N 3.46Å |
| 24 | R | 61.9 | Low | 61 | Low | 205 Ų | 205 | 134.9 Ų | 134.9 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.7 | -31.1 | 176.1 | -83.1 | -175.6 | 175.4 | -177.9 | -0.5 | 112.6 | A20 M21 E22 K28 | A20-R24 PolarHBondContact O-N 3.24Å; M21-R24 PolarHBondContact O-N 2.81Å; E22-R24 VanDerWaalsContact C-N 3.32Å; R24-K28 PolarHBondContact O-N 3.14Å |
| 25 | T | 60.6 | Low | 60.2 | Low | 80 Ų | 80 | 136.6 Ų | 136.6 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.8 | -46.2 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | M21 E22 N27 K28 E29 | M21-T25 PolarHBondContact O-N 2.93Å; M21-T25 PolarHBondContact O-OG1 3.28Å; E22-T25 WeakPolarHBondContact CA-OG1 3.26Å; E22-T25 PolarHBondContact O-OG1 2.85Å; T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 3.23Å; T25-K28 PolarHBondContact O-N 2.71Å; T25-E29 PolarHBondContact O-N 3Å |
| 26 | T | 58.7 | Low | 59.4 | Low | 66 Ų | 66 | 138.7 Ų | 138.7 | 41% | 0.405 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -61.4 | -35.8 | 177 | 42.6 | 0 | 0 | 0 | 0 | 113 | E22 R23 K28 E29 H30 | E22-T26 PolarHBondContact O-N 3.17Å; E22-T26 PolarHBondContact O-OG1 3Å; R23-T26 WeakPolarHBondContact CA-OG1 3.44Å; R23-T26 PolarHBondContact O-OG1 3.25Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 2.97Å; T26-E29 PolarHBondContact O-N 3.27Å; T26-H30 PolarHBondContact O-CD2 3.26Å; T26-H30 VanDerWaalsContact O-CD2 3.28Å; T26-H30 PolarHBondContact O-N 3Å |
| 27 | N | 54.4 | Low | 58.5 | Low | 122 Ų | 122 | 133.7 Ų | 133.7 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.4 | -15.3 | 178.1 | -141.5 | -8.4 | 0 | 0 | 0 | 113.4 | R23 T25 | R23-N27 WeakPolarHBondContact O-CB 3.46Å; R23-N27 PolarHBondContact O-N 3.46Å; T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 3.23Å |
| 28 | K | 56.6 | Low | 57.7 | Low | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.787 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -83 | -31 | 171.1 | -111.7 | -178.1 | 176 | -174.3 | 0 | 112.3 | R24 T25 T26 | R24-K28 PolarHBondContact O-N 3.14Å; T25-K28 PolarHBondContact O-N 2.71Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 2.97Å |
| 29 | E | 56.1 | Low | 57 | Low | 152 Ų | 152 | 135.8 Ų | 135.8 | 71% | 0.71 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77.7 | -25.4 | 178.9 | -70.5 | -173.5 | 174.5 | 0 | 0 | 113.2 | T25 T26 | T25-E29 PolarHBondContact O-N 3Å; T26-E29 PolarHBondContact O-N 3.27Å |
| 30 | H | 55.8 | Low | 56.2 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 73% | 0.731 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 4.6 | -177.9 | -76.1 | -65.8 | 0 | 0 | 0 | 115.7 | T26 | T26-H30 PolarHBondContact O-CD2 3.26Å; T26-H30 VanDerWaalsContact O-CD2 3.28Å; T26-H30 PolarHBondContact O-N 3Å |
| 31 | N | 51.8 | Low | 55.7 | Low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -121.9 | 39.2 | -178.1 | -152.6 | 11.7 | 0 | 0 | 0 | 114.9 | ||||
| 32 | S | 53.5 | Low | 55 | Low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -123.4 | 84.9 | 159.5 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 33 | N | 47.4 | Very low | 54.4 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -67.3 | 138.6 | 168.4 | -108.6 | -44.3 | 0 | 0 | 0 | 110.3 | ||||
| 34 | F | 53.9 | Low | 53.9 | Low | 192 Ų | 192 | 139.2 Ų | 139.2 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | trans | 52.3 | 93.6 | 152.7 | -78.3 | -95.4 | 0 | 0 | 0 | 118.6 | ||||
| 35 | K | 42.5 | Very low | 53.4 | Low | 203 Ų | 203 | 138.7 Ų | 138.7 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -138.2 | 122.7 | 142.3 | -148.9 | 171 | -174.8 | -179.5 | 0 | 108.5 | G37 | K35-G37 PolarHBondContact O-N 2.74Š| ||
| 36 | A | 54.1 | Low | 52.9 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 95% | 0.95 | 72% | 0.722 | S | S | * | * | trans | -55.9 | 118.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 37 | G | 46.2 | Very low | 52.5 | Low | 64 Ų | 64 | 144.6 Ų | 144.6 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 170.5 | 113.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K35 | K35-G37 PolarHBondContact O-N 2.74Š|
| 38 | Y | 51.3 | Low | 52.2 | Low | 223 Ų | 223 | 147.1 Ų | 147.1 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | trans | 22.6 | 98 | 163.4 | -138.8 | -95.7 | 0 | 0 | 0 | 116 | P40 | Y38-P40 VanDerWaalsContact O-CD 3.23Å; Y38-P40 WeakPolarHBondContact O-CD 3.44Å | ||
| 39 | V | 54.8 | Low | 51.9 | Low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | -72.9 | 114 | 162.8 | 179.8 | 0 | 0 | 0 | 0 | 106.2 | I41 | V39-I41 PolarHBondContact O-N 2.86Š| ||
| 40 | P | 54.8 | Low | 51.7 | Low | 93 Ų | 93 | 140.1 Ų | 140.1 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | trans | -62.7 | 114.9 | 171.1 | 26.4 | -31.1 | 0 | 0 | 0 | 107.1 | Y38 E42 | Y38-P40 VanDerWaalsContact O-CD 3.23Å; Y38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 3.43Å | ||
| 41 | I | 55.4 | Low | 51.6 | Low | 129 Ų | 129 | 138.6 Ų | 138.6 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | trans | -71.2 | 95.6 | 167.5 | -61.2 | 169.4 | 0 | 0 | 0 | 104.9 | V39 E43 | V39-I41 PolarHBondContact O-N 2.86Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.06Å | ||
| 42 | E | 54.2 | Low | 52 | Low | 129 Ų | 129 | 143.3 Ų | 143.3 | 60% | 0.603 | 74% | 0.74 | S | S | * | * | trans | -63.7 | 97.8 | 164 | -72 | 179 | 176.9 | 0 | 0 | 107.5 | P40 E44 R45 | P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 3.43Å; E42-E44 PolarHBondContact O-N 2.67Å; E42-R45 PolarHBondContact O-N 3.47Å | ||
| 43 | E | 54.5 | Low | 52.1 | Low | 145 Ų | 145 | 140 Ų | 140 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -55.7 | -24.1 | 177.9 | -66.4 | -172.5 | 161.9 | 0 | 0 | 112.1 | I41 R45 L46 H47 | I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.06Å; E43-R45 PolarHBondContact O-N 2.71Å; E43-L46 PolarHBondContact O-N 3.5Å; E43-L46 VanDerWaalsContact O-N 3.16Å; E43-H47 PolarHBondContact O-CD2 2.85Å; E43-H47 VanDerWaalsContact O-CD2 3.29Å; E43-H47 PolarHBondContact O-N 3.29Å |
| 44 | E | 54.4 | Low | 52.7 | Low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -61.4 | -24.3 | 173.9 | -70.5 | -165.7 | 164 | 0 | 0 | 113.9 | E42 | E42-E44 PolarHBondContact O-N 2.67Å |
| 45 | R | 50.5 | Low | 53.1 | Low | 194 Ų | 194 | 142.2 Ų | 142.2 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -87.2 | -20.2 | 175.8 | -80.7 | -146.5 | 174.2 | -165.1 | 2.2 | 114.2 | E42 E43 K48 | E42-R45 PolarHBondContact O-N 3.47Å; E43-R45 PolarHBondContact O-N 2.71Å; R45-K48 PolarHBondContact O-N 2.02Å |
| 46 | L | 49.6 | Very low | 54.2 | Low | 130 Ų | 130 | 134 Ų | 134 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.3 | -26 | 174.5 | -115 | 78.7 | 0 | 0 | 0 | 112.4 | E43 K48 | E43-L46 PolarHBondContact O-N 3.5Å; E43-L46 VanDerWaalsContact O-N 3.16Å; L46-K48 PolarHBondContact O-N 3.22Å |
| 47 | H | 50.2 | Low | 55.1 | Low | 140 Ų | 140 | 134.1 Ų | 134.1 | 65% | 0.648 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 5 | 173.4 | -71.7 | -67.3 | 0 | 0 | 0 | 114.4 | E43 | E43-H47 PolarHBondContact O-CD2 2.85Å; E43-H47 VanDerWaalsContact O-CD2 3.29Å; E43-H47 PolarHBondContact O-N 3.29Å |
| 48 | K | 49 | Very low | 56.6 | Low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 29.5 | -179.8 | -127.2 | 175.5 | -170.8 | 173.3 | 0 | 113.9 | R45 L46 G50 | R45-K48 PolarHBondContact O-N 2.02Å; L46-K48 PolarHBondContact O-N 3.22Å; K48-G50 VanDerWaalsContact C-N 3.34Å; K48-G50 PolarHBondContact O-N 2.95Å |
| 49 | T | 50 | Low | 58 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -67.8 | 100 | 153.3 | 47.2 | 0 | 0 | 0 | 0 | 107.5 | L51 | T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 2.81Å |
| 50 | G | 51.7 | Low | 59.5 | Low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -66.1 | 66.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K48 | K48-G50 VanDerWaalsContact C-N 3.34Å; K48-G50 PolarHBondContact O-N 2.95Å |
| 51 | L | 53.3 | Low | 60.9 | Low | 127 Ų | 127 | 126 Ų | 126 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | trans | -122.7 | 6.8 | 163.9 | -98.4 | 98.4 | 0 | 0 | 0 | 113.3 | T49 K55 | T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 2.81Å; L51-K55 HydrophobicContact CD2-CD 4.38Å; L51-K55 HydrophobicContact CG-CD 4.16Å | ||
| 52 | R | 60 | Low | 62.5 | Low | 229 Ų | 229 | 124.7 Ų | 124.7 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -116.7 | 79.2 | -168.1 | -161.6 | 171.6 | -177.6 | 163.1 | -1.3 | 113 | ||
| 53 | G | 55.7 | Low | 64.3 | Low | 36 Ų | 36 | 123.7 Ų | 123.7 | 37% | 0.371 | 63% | 0.627 | S | S | . | * | S | Bend | trans | 166.7 | -74.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | G56 N57 | G53-G56 PolarHBondContact O-N 2.8Å; G53-N57 WeakPolarHBondContact O-CB 3.21Å; G53-N57 PolarHBondContact O-N 2.81Å; G53-N57 PolarHBondContact O-OD1 3.09Å |
| 54 | R | 61.7 | Low | 66.2 | Low | 233 Ų | 233 | 120.4 Ų | 120.4 | 88% | 0.879 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.8 | -37.4 | -176.2 | -163.6 | 170.7 | 174.1 | 173.3 | -2.5 | 113.7 | M58 | R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3Å |
| 55 | K | 60.7 | Low | 67.9 | Low | 137 Ų | 137 | 116.7 Ų | 116.7 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.8 | -33.5 | 173.2 | -70.7 | -179.6 | 177.4 | 178.7 | 0 | 112.4 | L51 M58 A59 | L51-K55 HydrophobicContact CD2-CD 4.38Å; L51-K55 HydrophobicContact CG-CD 4.16Å; K55-M58 PolarHBondContact O-N 3.11Å; K55-A59 PolarHBondContact O-N 2.89Å |
| 56 | G | 66.6 | Low | 70 | Confident | 30 Ų | 30 | 112.4 Ų | 112.4 | 31% | 0.309 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G53 M58 A59 V60 | G53-G56 PolarHBondContact O-N 2.8Å; G56-M58 VanDerWaalsContact C-N 3.31Å; G56-M58 PolarHBondContact O-N 3.47Å; G56-A59 WeakPolarHBondContact O-CB 3.17Å; G56-A59 PolarHBondContact O-N 2.88Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 2.84Å |
| 57 | N | 72 | Confident | 72.2 | Confident | 119 Ų | 119 | 112.4 Ų | 112.4 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65 | -33.4 | 174.6 | -74.6 | 13.8 | 0 | 0 | 0 | 112.6 | G53 C61 | G53-N57 WeakPolarHBondContact O-CB 3.21Å; G53-N57 PolarHBondContact O-N 2.81Å; G53-N57 PolarHBondContact O-OD1 3.09Å; N57-C61 VanDerWaalsContact O-CB 3.25Å; N57-C61 WeakPolarHBondContact O-CB 3.21Å; N57-C61 PolarHBondContact O-N 2.86Å |
| 58 | M | 78.1 | Confident | 74.3 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67 | -41 | 170.8 | -76.3 | -66.4 | -109.8 | 0 | 0 | 111.8 | R54 K55 G56 C61 I62 | R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3Å; K55-M58 PolarHBondContact O-N 3.11Å; G56-M58 VanDerWaalsContact C-N 3.31Å; G56-M58 PolarHBondContact O-N 3.47Å; M58-C61 WeakPolarHBondContact O-CB 3.38Å; M58-C61 PolarHBondContact O-N 2.88Å; M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 2.99Å; M58-I62 PolarHBondContact O-N 3.2Å |
| 59 | A | 81.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 105.9 Ų | 105.9 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K55 G56 I62 I63 | K55-A59 PolarHBondContact O-N 2.89Å; G56-A59 WeakPolarHBondContact O-CB 3.17Å; G56-A59 PolarHBondContact O-N 2.88Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-I62 PolarHBondContact O-N 3.43Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.39Å |
| 60 | V | 85.5 | Confident | 78.7 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 174.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | G56 I62 I63 V64 | G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 2.84Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.95Å; V60-I63 PolarHBondContact O-N 2.02Å; V60-V64 HydrophobicContact CG1-CG2 4.34Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 3.08Å |
| 61 | C | 85.7 | Confident | 80.8 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 175 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | N57 M58 V64 L65 | N57-C61 VanDerWaalsContact O-CB 3.25Å; N57-C61 WeakPolarHBondContact O-CB 3.21Å; N57-C61 PolarHBondContact O-N 2.86Å; M58-C61 WeakPolarHBondContact O-CB 3.38Å; M58-C61 PolarHBondContact O-N 2.88Å; C61-V64 PolarHBondContact O-N 3.29Å; C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 PolarHBondContact O-N 3.42Å |
| 62 | I | 89.1 | Confident | 82.8 | Confident | 100 Ų | 100 | 101 Ų | 101 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.2 | -68.9 | 165.2 | 0 | 0 | 0 | 110.9 | M58 A59 V60 L65 L66 | M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 2.99Å; M58-I62 PolarHBondContact O-N 3.2Å; A59-I62 PolarHBondContact O-N 3.43Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.95Å; I62-L65 PolarHBondContact O-N 2.83Å; I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.25Å |
| 63 | I | 91.8 | Very high | 84.5 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 56% | 0.559 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 176.8 | -70 | 163.9 | 0 | 0 | 0 | 110.9 | A59 V60 L65 L66 F67 | A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.39Å; V60-I63 PolarHBondContact O-N 2.02Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.15Å; I63-L66 PolarHBondContact O-N 3.27Å; I63-F67 WeakPolarHBondContact O-CB 3.43Å; I63-F67 PolarHBondContact O-N 3.39Å |
| 64 | V | 92.9 | Very high | 86.3 | Confident | 75 Ų | 75 | 97.1 Ų | 97.1 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | V60 C61 F67 L68 | V60-V64 HydrophobicContact CG1-CG2 4.34Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 3.08Å; C61-V64 PolarHBondContact O-N 3.29Å; V64-F67 PolarHBondContact O-N 3.26Å; V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.28Å |
| 65 | L | 91.7 | Very high | 87.9 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 178.3 | -169 | 145 | 0 | 0 | 0 | 111.9 | C61 I62 I63 F67 L68 L69 | C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 PolarHBondContact O-N 3.42Å; I62-L65 PolarHBondContact O-N 2.83Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.15Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-L68 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD2-CD1 3.95Å; L65-L69 WeakPolarHBondContact O-CB 3.28Å; L65-L69 PolarHBondContact O-N 3.25Å |
| 66 | L | 93.7 | Very high | 89.5 | Confident | 103 Ų | 103 | 88.3 Ų | 88.3 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 172.5 | -73.4 | 174 | 0 | 0 | 0 | 111.8 | I62 I63 L69 A70 | I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.25Å; I63-L66 PolarHBondContact O-N 3.27Å; L66-L69 WeakPolarHBondContact O-CB 2.92Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-A70 WeakPolarHBondContact O-CB 3.12Å; L66-A70 PolarHBondContact O-N 2.59Å |
| 67 | F | 95.1 | Very high | 90.6 | Very high | 131 Ų | 131 | 91.1 Ų | 91.1 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 175.8 | -176.8 | -105.2 | 0 | 0 | 0 | 111.9 | I63 V64 L65 A70 L71 | I63-F67 WeakPolarHBondContact O-CB 3.43Å; I63-F67 PolarHBondContact O-N 3.39Å; V64-F67 PolarHBondContact O-N 3.26Å; L65-F67 VanDerWaalsContact C-N 3.33Å; F67-A70 PolarHBondContact O-N 3.44Å; F67-L71 HydrophobicContact CD1-CD1 3.8Å; F67-L71 HydrophobicContact CD1-CG 4.32Å; F67-L71 HydrophobicContact CE1-CD1 3.37Å; F67-L71 HydrophobicContact CE1-CG 3.98Å; F67-L71 HydrophobicContact CZ-CD1 3.94Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 HydrophobicContact CZ-CG 4.13Å; F67-L71 WeakPolarHBondContact O-CB 3.26Å; F67-L71 WeakPolarHBondContact O-CG 3.49Å; F67-L71 PolarHBondContact O-N 3.22Å |
| 68 | L | 95.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 89.4 Ų | 89.4 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173 | -74 | 174.1 | 0 | 0 | 0 | 111.6 | V64 L65 A70 L71 I72 | V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.28Å; L65-L68 PolarHBondContact O-N 2.85Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.8Å; L68-L71 PolarHBondContact O-N 3.04Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.02Å; L68-I72 PolarHBondContact O-N 3.18Å |
| 69 | L | 95.1 | Very high | 92 | Very high | 83 Ų | 83 | 87 Ų | 87 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 172.8 | -98 | 165.7 | 0 | 0 | 0 | 111.7 | L65 L66 I72 N73 | L65-L69 HydrophobicContact CD2-CD1 3.95Å; L65-L69 WeakPolarHBondContact O-CB 3.28Å; L65-L69 PolarHBondContact O-N 3.25Å; L66-L69 WeakPolarHBondContact O-CB 2.92Å; L66-L69 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 2.8Å; L69-N73 WeakPolarHBondContact O-CB 2.99Å; L69-N73 VanDerWaalsContact O-CG 3.28Å; L69-N73 PolarHBondContact O-N 2.71Å; L69-N73 PolarHBondContact O-ND2 3.35Å |
| 70 | A | 95.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L66 F67 L68 N73 L74 | L66-A70 WeakPolarHBondContact O-CB 3.12Å; L66-A70 PolarHBondContact O-N 2.59Å; F67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.8Å; A70-N73 PolarHBondContact O-N 2.76Å; A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 PolarHBondContact O-N 2.77Å |
| 71 | L | 96.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 91.4 Ų | 91.4 | 34% | 0.335 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.2 | -80 | 176.2 | 0 | 0 | 0 | 112.2 | F67 L68 N73 L74 I75 | F67-L71 HydrophobicContact CD1-CD1 3.8Å; F67-L71 HydrophobicContact CD1-CG 4.32Å; F67-L71 HydrophobicContact CE1-CD1 3.37Å; F67-L71 HydrophobicContact CE1-CG 3.98Å; F67-L71 HydrophobicContact CZ-CD1 3.94Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 HydrophobicContact CZ-CG 4.13Å; F67-L71 WeakPolarHBondContact O-CB 3.26Å; F67-L71 WeakPolarHBondContact O-CG 3.49Å; F67-L71 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.04Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-L74 WeakPolarHBondContact O-CB 3.25Å; L71-L74 PolarHBondContact O-N 3.43Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 2.89Å; L71-I75 PolarHBondContact O-N 3.39Å |
| 72 | I | 96.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.1 | -69.8 | 165.6 | 0 | 0 | 0 | 109.8 | L68 L69 L74 I75 I76 | L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.02Å; L68-I72 PolarHBondContact O-N 3.18Å; L69-I72 PolarHBondContact O-N 2.8Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.41Å; I72-I75 PolarHBondContact O-N 3.45Å; I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.28Å; I72-I76 WeakPolarHBondContact O-CG1 3.3Å; I72-I76 PolarHBondContact O-N 2.99Å |
| 73 | N | 95.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 93.1 Ų | 93.1 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 176.7 | -73.8 | -26.4 | 0 | 0 | 0 | 111.6 | L69 A70 L71 I76 T77 | L69-N73 WeakPolarHBondContact O-CB 2.99Å; L69-N73 VanDerWaalsContact O-CG 3.28Å; L69-N73 PolarHBondContact O-N 2.71Å; L69-N73 PolarHBondContact O-ND2 3.35Å; A70-N73 PolarHBondContact O-N 2.76Å; L71-N73 VanDerWaalsContact C-N 3.34Å; N73-I76 PolarHBondContact O-N 3.5Å; N73-T77 PolarHBondContact O-N 2.82Å; N73-T77 PolarHBondContact O-OG1 3.36Å |
| 74 | L | 94.3 | Very high | 90.6 | Very high | 96 Ų | 96 | 91.5 Ų | 91.5 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.8 | -178.8 | 67.5 | 0 | 0 | 0 | 111.5 | A70 L71 I72 I76 T77 L78 | A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 PolarHBondContact O-N 2.77Å; L71-L74 WeakPolarHBondContact O-CB 3.25Å; L71-L74 PolarHBondContact O-N 3.43Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.41Å; L74-I76 VanDerWaalsContact C-N 3.35Å; L74-I76 PolarHBondContact O-N 3.16Å; L74-T77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CG-CD1 4.35Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.68Å |
| 75 | I | 94.8 | Very high | 89.7 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 177.6 | -68.7 | 166.1 | 0 | 0 | 0 | 110.1 | L71 I72 T77 L78 V79 | L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 2.89Å; L71-I75 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 3.45Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.36Å; I75-L78 PolarHBondContact O-N 3.19Å; I75-V79 HydrophobicContact CG2-CG2 4.3Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.97Å |
| 76 | I | 93.3 | Very high | 88.8 | Confident | 84 Ų | 84 | 93.5 Ų | 93.5 | 43% | 0.431 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 176.8 | -68.7 | 166.8 | 0 | 0 | 0 | 110.4 | I72 N73 L74 L78 V79 I80 | I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.28Å; I72-I76 WeakPolarHBondContact O-CG1 3.3Å; I72-I76 PolarHBondContact O-N 2.99Å; N73-I76 PolarHBondContact O-N 3.5Å; L74-I76 VanDerWaalsContact C-N 3.35Å; L74-I76 PolarHBondContact O-N 3.16Å; I76-L78 PolarHBondContact O-N 2.7Å; I76-V79 PolarHBondContact O-N 3.27Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.36Å; I76-I80 PolarHBondContact O-N 2.82Å |
| 77 | T | 90.1 | Very high | 87.5 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 55% | 0.546 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.6 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | N73 L74 I75 I80 W81 | N73-T77 PolarHBondContact O-N 2.82Å; N73-T77 PolarHBondContact O-OG1 3.36Å; L74-T77 PolarHBondContact O-N 3.39Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.36Å; T77-I80 PolarHBondContact O-N 3.21Å; T77-W81 WeakPolarHBondContact O-CB 3.23Å; T77-W81 PolarHBondContact O-N 2.84Å |
| 78 | L | 89 | Confident | 85.9 | Confident | 83 Ų | 83 | 90.6 Ų | 90.6 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.2 | -70.6 | 176.8 | 0 | 0 | 0 | 112.1 | L74 I75 I76 W81 T82 | L74-L78 HydrophobicContact CG-CD1 4.35Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.68Å; I75-L78 PolarHBondContact O-N 3.19Å; I76-L78 PolarHBondContact O-N 2.7Å; L78-W81 HydrophobicContact CD2-CE3 4.03Å; L78-W81 HydrophobicContact CD2-CZ3 4.49Å; L78-W81 PolarHBondContact O-N 3.42Å; L78-T82 WeakPolarHBondContact O-CG2 3.41Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.54Å |
| 79 | V | 89.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 92 Ų | 92 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | I75 I76 W81 T82 V83 | I75-V79 HydrophobicContact CG2-CG2 4.3Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.97Å; I76-V79 PolarHBondContact O-N 3.27Å; V79-W81 VanDerWaalsContact C-N 3.29Å; V79-W81 PolarHBondContact O-N 3.21Å; V79-T82 WeakPolarHBondContact CA-OG1 3.47Å; V79-T82 PolarHBondContact O-N 3.42Å; V79-T82 PolarHBondContact O-OG1 2.99Å; V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 WeakPolarHBondContact O-CB 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.37Å; V79-V83 PolarHBondContact O-N 2.81Å |
| 80 | I | 86.1 | Confident | 83 | Confident | 87 Ų | 87 | 89.5 Ų | 89.5 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.4 | -69.1 | 168.4 | 0 | 0 | 0 | 110.5 | I76 T77 T82 V83 I84 | I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.36Å; I76-I80 PolarHBondContact O-N 2.82Å; T77-I80 PolarHBondContact O-N 3.21Å; I80-T82 PolarHBondContact O-N 2.8Å; I80-V83 PolarHBondContact O-N 2.8Å; I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.23Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 3.13Å |
| 81 | W | 83 | Confident | 82 | Confident | 138 Ų | 138 | 88.7 Ų | 88.7 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | -179.4 | -166.2 | 9 | 0 | 0 | 0 | 112.1 | T77 L78 V79 R85 I86 | T77-W81 WeakPolarHBondContact O-CB 3.23Å; T77-W81 PolarHBondContact O-N 2.84Å; L78-W81 HydrophobicContact CD2-CE3 4.03Å; L78-W81 HydrophobicContact CD2-CZ3 4.49Å; L78-W81 PolarHBondContact O-N 3.42Å; V79-W81 VanDerWaalsContact C-N 3.29Å; V79-W81 PolarHBondContact O-N 3.21Å; W81-R85 PolarHBondContact O-N 2.89Å; W81-R85 VanDerWaalsContact O-N 3.16Å; W81-I86 VanDerWaalsContact CD1-O 3.29Å; W81-I86 PolarHBondContact NE1-O 3.2Å; W81-I86 PolarHBondContact O-N 2.91Å |
| 82 | T | 79.8 | Confident | 80.9 | Confident | 101 Ų | 101 | 89.4 Ų | 89.4 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.2 | -39.6 | 177.6 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | L78 V79 I80 R85 | L78-T82 WeakPolarHBondContact O-CG2 3.41Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.54Å; V79-T82 WeakPolarHBondContact CA-OG1 3.47Å; V79-T82 PolarHBondContact O-N 3.42Å; V79-T82 PolarHBondContact O-OG1 2.99Å; I80-T82 PolarHBondContact O-N 2.8Å; T82-R85 PolarHBondContact O-N 3.1Å |
| 83 | V | 80.2 | Confident | 79.9 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -43.4 | -179.8 | 171 | 0 | 0 | 0 | 0 | 111.8 | V79 I80 R85 | V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 WeakPolarHBondContact O-CB 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.37Å; V79-V83 PolarHBondContact O-N 2.81Å; I80-V83 PolarHBondContact O-N 2.8Å; V83-R85 PolarHBondContact O-N 3.1Å |
| 84 | I | 75.2 | Confident | 79.3 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74 | -13.7 | 178.2 | -58.8 | 177.5 | 0 | 0 | 0 | 111.2 | I80 I86 | I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.23Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 3.13Å; I84-I86 VanDerWaalsContact C-N 3.29Å; I84-I86 HydrophobicContact CB-CD1 4.11Å; I84-I86 HydrophobicContact CB-CG1 3.84Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 3.42Å; I84-I86 VanDerWaalsContact CG2-CG1 3.42Å; I84-I86 PolarHBondContact O-N 3.45Å |
| 85 | R | 73.3 | Confident | 78.8 | Confident | 144 Ų | 144 | 83.8 Ų | 83.8 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 50.7 | -175.3 | -59.4 | -175 | -177.8 | -179.4 | 3 | 111.2 | W81 T82 V83 G87 D92 | W81-R85 PolarHBondContact O-N 2.89Å; W81-R85 VanDerWaalsContact O-N 3.16Å; T82-R85 PolarHBondContact O-N 3.1Å; V83-R85 PolarHBondContact O-N 3.1Å; R85-G87 PolarHBondContact O-N 2.87Å; R85-D92 HydrophobicContact CB-CB 4.12Å; R85-D92 PolarHBondContact O-N 3.29Å |
| 86 | I | 73.4 | Confident | 78.2 | Confident | 72 Ų | 72 | 87 Ų | 87 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 101.9 | 173.3 | -52.4 | 172.4 | 0 | 0 | 0 | 106.3 | W81 I84 G90 | W81-I86 VanDerWaalsContact CD1-O 3.29Å; W81-I86 PolarHBondContact NE1-O 3.2Å; W81-I86 PolarHBondContact O-N 2.91Å; I84-I86 VanDerWaalsContact C-N 3.29Å; I84-I86 HydrophobicContact CB-CD1 4.11Å; I84-I86 HydrophobicContact CB-CG1 3.84Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 3.42Å; I84-I86 VanDerWaalsContact CG2-CG1 3.42Å; I84-I86 PolarHBondContact O-N 3.45Å; I86-G90 CarbonylContact C-O 3.56Å; I86-G90 WeakPolarHBondContact CA-O 3.39Å |
| 87 | G | 66.6 | Low | 77.5 | Confident | 26 Ų | 26 | 88.2 Ų | 88.2 | 27% | 0.268 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R85 S89 G90 | R85-G87 PolarHBondContact O-N 2.87Å; G87-S89 PolarHBondContact O-N 3.23Å; G87-S89 VanDerWaalsContact O-N 3.07Å; G87-G90 PolarHBondContact N-O 3Å; G87-G90 PolarHBondContact O-N 3.27Å |
| 88 | P | 61.1 | Low | 76.9 | Confident | 146 Ų | 146 | 93.6 Ų | 93.6 | 95% | 0.948 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.8 | 167.2 | -20.8 | 31.6 | 0 | 0 | 0 | 112.9 | ||
| 89 | S | 59.4 | Low | 76.5 | Confident | 122 Ų | 122 | 94 Ų | 94 | 85% | 0.853 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.1 | -179.8 | -30 | 0 | 0 | 0 | 0 | 114 | G87 | G87-S89 PolarHBondContact O-N 3.23Å; G87-S89 VanDerWaalsContact O-N 3.07Å |
| 90 | G | 70 | Confident | 75.9 | Confident | 32 Ų | 32 | 93.7 Ų | 93.7 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.3 | -163.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I86 G87 | I86-G90 CarbonylContact C-O 3.56Å; I86-G90 WeakPolarHBondContact CA-O 3.39Å; G87-G90 PolarHBondContact N-O 3Å; G87-G90 PolarHBondContact O-N 3.27Å |
| 91 | C | 75.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 94.2 Ų | 94.2 | 24% | 0.243 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.4 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | S93 I94 | C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 2.82Å; C91-I94 WeakPolarHBondContact CB-O 3.28Å |
| 92 | D | 73.2 | Confident | 75.6 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -71.5 | -24.5 | -179.5 | -81.6 | -13.5 | 0 | 0 | 0 | 113.6 | R85 K105 | R85-D92 HydrophobicContact CB-CB 4.12Å; R85-D92 PolarHBondContact O-N 3.29Å; D92-K105 VanDerWaalsContact O-CB 3.22Å; D92-K105 WeakPolarHBondContact O-CB 3.5Å |
| 93 | S | 75.2 | Confident | 75.8 | Confident | 37 Ų | 37 | 91 Ų | 91 | 26% | 0.259 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -96.7 | -32.5 | -171.1 | -58.9 | 0 | 0 | 0 | 0 | 113 | C91 K105 | C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 2.82Å; S93-K105 PolarHBondContact O-N 3.26Å |
| 94 | I | 81.6 | Confident | 76.1 | Confident | 60 Ų | 60 | 89 Ų | 89 | 31% | 0.308 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.4 | -170.7 | -59.8 | 178.3 | 0 | 0 | 0 | 109.9 | C91 F96 L102 R103 F104 | C91-I94 WeakPolarHBondContact CB-O 3.28Å; I94-F96 HydrophobicContact CG2-CD2 4.33Å; I94-F96 HydrophobicContact CG2-CE2 3.86Å; I94-F96 HydrophobicContact CG2-CZ 4.14Å; I94-L102 HydrophobicContact CG2-CD1 3.36Å; I94-R103 CarbonylContact C-O 3.5Å; I94-R103 WeakPolarHBondContact CA-O 3.13Å; I94-F104 HydrophobicContact CD1-CD1 4.42Å; I94-F104 HydrophobicContact CD1-CE1 4.04Å; I94-F104 HydrophobicContact CG1-CD1 3.97Å; I94-F104 HydrophobicContact CG1-CE1 4.07Å |
| 95 | E | 83.3 | Confident | 76.4 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 29% | 0.285 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.4 | 176.1 | 174.4 | 169 | -104.5 | 0 | 0 | 109.6 | R103 K105 | E95-R103 HydrophobicContact CB-CB 4.26Å; E95-R103 PolarHBondContact N-O 3.02Å; E95-R103 PolarHBondContact O-N 2.82Å; E95-R103 WeakPolarHBondContact OE2-CD 3.35Å; E95-R103 IonicContact OE2-CZ 3.59Å; E95-R103 IonicContact OE2-NE 2.7Å; E95-R103 IonicContact OE2-NH1 3.19Å; E95-R103 PolarHBondContact OE2-NH1 3.33Å; E95-K105 VanDerWaalsContact CD-NZ 3.33Å; E95-K105 WeakPolarHBondContact OE1-CE 3.11Å; E95-K105 IonicContact OE1-NZ 2.85Å; E95-K105 PolarHBondContact OE1-NZ 3.45Å; E95-K105 WeakPolarHBondContact OE2-CE 3.45Å; E95-K105 IonicContact OE2-NZ 3.62Å |
| 96 | F | 82.4 | Confident | 76.8 | Confident | 168 Ų | 168 | 86.7 Ų | 86.7 | 74% | 0.737 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.4 | 172.1 | -64.9 | -87.5 | 0 | 0 | 0 | 107.8 | I94 L102 | I94-F96 HydrophobicContact CG2-CD2 4.33Å; I94-F96 HydrophobicContact CG2-CE2 3.86Å; I94-F96 HydrophobicContact CG2-CZ 4.14Å; F96-L102 HydrophobicContact CD1-CD1 3.82Å; F96-L102 HydrophobicContact CE1-CD1 3.49Å; F96-L102 VanDerWaalsContact CE1-CD1 3.49Å; F96-L102 HydrophobicContact CE2-CD1 4.47Å; F96-L102 HydrophobicContact CG-CD1 4.46Å; F96-L102 HydrophobicContact CZ-CD1 3.85Å |
| 97 | H | 80.1 | Confident | 77.2 | Confident | 109 Ų | 109 | 93.8 Ų | 93.8 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | trans | -83.3 | 148.7 | 174.5 | -158.5 | -101.8 | 0 | 0 | 0 | 110 | S99 G100 L101 | H97-S99 WeakPolarHBondContact ND1-CB 3.48Å; H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact ND1-OG 3.47Å; H97-S99 PolarHBondContact O-N 2.81Å; H97-S99 VanDerWaalsContact O-N 3.1Å; H97-G100 PolarHBondContact O-N 2.89Å; H97-L101 HydrophobicContact CB-CB 3.81Å; H97-L101 PolarHBondContact N-O 2.84Å | ||
| 98 | E | 77.4 | Confident | 77.8 | Confident | 203 Ų | 203 | 95.3 Ų | 95.3 | 95% | 0.949 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.3 | 177.4 | -66 | -174.3 | 166.8 | 0 | 0 | 112.8 | G100 | E98-G100 PolarHBondContact O-N 2.87Å; E98-G100 VanDerWaalsContact O-N 3.13Å |
| 99 | S | 79.8 | Confident | 78.9 | Confident | 91 Ų | 91 | 95.7 Ų | 95.7 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 3.5 | 174 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | H97 L101 | H97-S99 WeakPolarHBondContact ND1-CB 3.48Å; H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact ND1-OG 3.47Å; H97-S99 PolarHBondContact O-N 2.81Å; H97-S99 VanDerWaalsContact O-N 3.1Å; S99-L101 VanDerWaalsContact C-N 3.33Å |
| 100 | G | 76.9 | Confident | 79.7 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 73% | 0.732 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 79 | 11.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H97 E98 | H97-G100 PolarHBondContact O-N 2.89Å; E98-G100 PolarHBondContact O-N 2.87Å; E98-G100 VanDerWaalsContact O-N 3.13Å |
| 101 | L | 80.6 | Confident | 80.4 | Confident | 98 Ų | 98 | 96.1 Ų | 96.1 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -78.8 | 125.8 | 176.7 | -171.2 | 90.3 | 0 | 0 | 0 | 109.9 | H97 S99 | H97-L101 HydrophobicContact CB-CB 3.81Å; H97-L101 PolarHBondContact N-O 2.84Å; S99-L101 VanDerWaalsContact C-N 3.33Å | ||
| 102 | L | 83.1 | Confident | 80.8 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 43% | 0.429 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.8 | 168.3 | -178.7 | 61.4 | 0 | 0 | 0 | 109.5 | I94 F96 F104 | I94-L102 HydrophobicContact CG2-CD1 3.36Å; F96-L102 HydrophobicContact CD1-CD1 3.82Å; F96-L102 HydrophobicContact CE1-CD1 3.49Å; F96-L102 VanDerWaalsContact CE1-CD1 3.49Å; F96-L102 HydrophobicContact CE2-CD1 4.47Å; F96-L102 HydrophobicContact CG-CD1 4.46Å; F96-L102 HydrophobicContact CZ-CD1 3.85Å; L102-F104 HydrophobicContact CD2-CE1 4.41Å; L102-F104 HydrophobicContact CD2-CE2 3.8Å; L102-F104 HydrophobicContact CD2-CZ 3.47Å; L102-F104 VanDerWaalsContact CD2-CZ 3.47Å; L102-F104 HydrophobicContact CG-CE2 3.84Å; L102-F104 HydrophobicContact CG-CZ 3.81Å |
| 103 | R | 84.2 | Confident | 81.3 | Confident | 90 Ų | 90 | 99.3 Ų | 99.3 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.8 | 179.9 | -176.9 | -176.7 | -177.7 | -165.6 | 9.3 | 111 | I94 E95 | I94-R103 CarbonylContact C-O 3.5Å; I94-R103 WeakPolarHBondContact CA-O 3.13Å; E95-R103 HydrophobicContact CB-CB 4.26Å; E95-R103 PolarHBondContact N-O 3.02Å; E95-R103 PolarHBondContact O-N 2.82Å; E95-R103 WeakPolarHBondContact OE2-CD 3.35Å; E95-R103 IonicContact OE2-CZ 3.59Å; E95-R103 IonicContact OE2-NE 2.7Å; E95-R103 IonicContact OE2-NH1 3.19Å; E95-R103 PolarHBondContact OE2-NH1 3.33Å |
| 104 | F | 84.9 | Confident | 81.6 | Confident | 66 Ų | 66 | 105.2 Ų | 105.2 | 29% | 0.289 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 124.2 | 170.6 | -59.9 | -83.7 | 0 | 0 | 0 | 109.7 | I94 L102 A108 M110 | I94-F104 HydrophobicContact CD1-CD1 4.42Å; I94-F104 HydrophobicContact CD1-CE1 4.04Å; I94-F104 HydrophobicContact CG1-CD1 3.97Å; I94-F104 HydrophobicContact CG1-CE1 4.07Å; L102-F104 HydrophobicContact CD2-CE1 4.41Å; L102-F104 HydrophobicContact CD2-CE2 3.8Å; L102-F104 HydrophobicContact CD2-CZ 3.47Å; L102-F104 VanDerWaalsContact CD2-CZ 3.47Å; L102-F104 HydrophobicContact CG-CE2 3.84Å; L102-F104 HydrophobicContact CG-CZ 3.81Å; F104-A108 HydrophobicContact CD1-CB 3.76Å; F104-A108 HydrophobicContact CE1-CB 4.24Å; F104-A108 HydrophobicContact CG-CB 4.29Å; F104-M110 HydrophobicContact CD2-CE 4.4Å; F104-M110 HydrophobicContact CE1-SD 4.12Å; F104-M110 HydrophobicContact CE2-CE 3.81Å; F104-M110 HydrophobicContact CE2-SD 3.58Å; F104-M110 VanDerWaalsContact CE2-SD 3.58Å; F104-M110 HydrophobicContact CZ-CE 4.17Å; F104-M110 HydrophobicContact CZ-CG 4.4Å; F104-M110 HydrophobicContact CZ-SD 3.32Å; F104-M110 WeakPolarHBondContact CZ-SD 3.1Å |
| 105 | K | 82.5 | Confident | 81.4 | Confident | 83 Ų | 83 | 106 Ų | 106 | 36% | 0.361 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -90.9 | -21.9 | 178.2 | -72.4 | 175.3 | 178.3 | 168.8 | 0 | 112 | D92 S93 E95 | D92-K105 VanDerWaalsContact O-CB 3.22Å; D92-K105 WeakPolarHBondContact O-CB 3.5Å; S93-K105 PolarHBondContact O-N 3.26Å; E95-K105 VanDerWaalsContact CD-NZ 3.33Å; E95-K105 WeakPolarHBondContact OE1-CE 3.11Å; E95-K105 IonicContact OE1-NZ 2.85Å; E95-K105 PolarHBondContact OE1-NZ 3.45Å; E95-K105 WeakPolarHBondContact OE2-CE 3.45Å; E95-K105 IonicContact OE2-NZ 3.62Å |
| 106 | Q | 81.1 | Confident | 80.8 | Confident | 88 Ų | 88 | 110 Ų | 110 | 41% | 0.411 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -124.2 | 170.8 | -179.7 | -61.5 | -175 | 14.3 | 0 | 0 | 111.3 | A108 | Q106-A108 PolarHBondContact O-N 3.27Š|
| 107 | K | 81.4 | Confident | 79.9 | Confident | 220 Ų | 220 | 110.5 Ų | 110.5 | 96% | 0.957 | 60% | 0.598 | S | S | * | * | trans | -60 | 123.3 | 171.8 | -66.2 | -177.4 | 180 | -177.8 | 0 | 108.8 | ||||
| 108 | A | 80.6 | Confident | 79.2 | Confident | 59 Ų | 59 | 114.3 Ų | 114.3 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | trans | -124.1 | 135.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F104 Q106 | F104-A108 HydrophobicContact CD1-CB 3.76Å; F104-A108 HydrophobicContact CE1-CB 4.24Å; F104-A108 HydrophobicContact CG-CB 4.29Å; Q106-A108 PolarHBondContact O-N 3.27Å | ||
| 109 | D | 83 | Confident | 78.8 | Confident | 154 Ų | 154 | 107.8 Ų | 107.8 | 82% | 0.824 | 59% | 0.59 | S | S | * | * | trans | -96 | 113.9 | 167.9 | -171.4 | -7.4 | 0 | 0 | 0 | 108 | G111 | D109-G111 PolarHBondContact OD1-N 2.86Å; D109-G111 VanDerWaalsContact OD1-N 3.13Å | ||
| 110 | M | 77.6 | Confident | 78.7 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | trans | -104.4 | -7.6 | -178.4 | -66.6 | -158.5 | -81.2 | 0 | 0 | 112.9 | F104 V112 V113 | F104-M110 HydrophobicContact CD2-CE 4.4Å; F104-M110 HydrophobicContact CE1-SD 4.12Å; F104-M110 HydrophobicContact CE2-CE 3.81Å; F104-M110 HydrophobicContact CE2-SD 3.58Å; F104-M110 VanDerWaalsContact CE2-SD 3.58Å; F104-M110 HydrophobicContact CZ-CE 4.17Å; F104-M110 HydrophobicContact CZ-CG 4.4Å; F104-M110 HydrophobicContact CZ-SD 3.32Å; F104-M110 WeakPolarHBondContact CZ-SD 3.1Å; M110-V112 PolarHBondContact O-N 2.93Å; M110-V113 HydrophobicContact CB-CG2 3.65Å; M110-V113 HydrophobicContact CE-CG2 3.46Å; M110-V113 VanDerWaalsContact CE-CG2 3.46Å; M110-V113 HydrophobicContact CG-CG2 4.33Å; M110-V113 HydrophobicContact SD-CG2 3.8Å | ||
| 111 | G | 83 | Confident | 79.1 | Confident | 71 Ų | 71 | 110.6 Ų | 110.6 | 73% | 0.732 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 57.7 | -92.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D109 | D109-G111 PolarHBondContact OD1-N 2.86Å; D109-G111 VanDerWaalsContact OD1-N 3.13Å |
| 112 | V | 84.6 | Confident | 79.3 | Confident | 111 Ų | 111 | 108.8 Ų | 108.8 | 67% | 0.673 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -114.4 | 122.2 | 179.4 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | M110 H114 | M110-V112 PolarHBondContact O-N 2.93Å; V112-H114 VanDerWaalsContact CG1-NE2 3.29Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.44Å |
| 113 | V | 83.4 | Confident | 79.5 | Confident | 73 Ų | 73 | 106.9 Ų | 106.9 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | trans | -102.8 | 123.6 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | M110 P115 | M110-V113 HydrophobicContact CB-CG2 3.65Å; M110-V113 HydrophobicContact CE-CG2 3.46Å; M110-V113 VanDerWaalsContact CE-CG2 3.46Å; M110-V113 HydrophobicContact CG-CG2 4.33Å; M110-V113 HydrophobicContact SD-CG2 3.8Å; V113-P115 WeakPolarHBondContact O-CD 3.33Å | ||
| 114 | H | 82.9 | Confident | 79.4 | Confident | 161 Ų | 161 | 107.7 Ų | 107.7 | 75% | 0.745 | 60% | 0.597 | S | S | * | * | trans | -106.7 | 92.1 | 171.6 | -66.5 | -73.5 | 0 | 0 | 0 | 109.4 | V112 L116 | V112-H114 VanDerWaalsContact CG1-NE2 3.29Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.44Å; H114-L116 PolarHBondContact O-N 3Å | ||
| 115 | P | 75.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 113.3 Ų | 113.3 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 130.7 | 172.4 | 7 | -4.5 | 0 | 0 | 0 | 109.4 | V113 | V113-P115 WeakPolarHBondContact O-CD 3.33Š|
| 116 | L | 70.7 | Confident | 79.4 | Confident | 147 Ų | 147 | 116.6 Ų | 116.6 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 165.4 | 168.5 | -80.2 | 144.2 | 0 | 0 | 0 | 110.2 | H114 K118 S119 | H114-L116 PolarHBondContact O-N 3Å; L116-K118 PolarHBondContact O-N 3.22Å; L116-S119 WeakPolarHBondContact O-CB 3.47Å; L116-S119 PolarHBondContact O-N 3.02Å; L116-S119 PolarHBondContact O-OG 2.77Å; L116-S119 VanDerWaalsContact O-OG 3.1Å |
| 117 | H | 63.6 | Low | 79.6 | Confident | 177 Ų | 177 | 117.9 Ų | 117.9 | 82% | 0.819 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 126.1 | -172.3 | -163.9 | 42.8 | 0 | 0 | 0 | 111.7 | S119 | H117-S119 VanDerWaalsContact C-N 3.3Å; H117-S119 PolarHBondContact O-N 3.07Å |
| 118 | K | 66.3 | Low | 79.6 | Confident | 189 Ų | 189 | 114.7 Ų | 114.7 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 14.9 | -175.1 | -53.4 | -178.7 | 177.5 | -179.8 | 0 | 116.3 | L116 | L116-K118 PolarHBondContact O-N 3.22Š|
| 119 | S | 69.6 | Low | 79.9 | Confident | 66 Ų | 66 | 115.9 Ų | 115.9 | 46% | 0.462 | 64% | 0.64 | S | S | . | * | trans | -74.5 | 136.1 | 173.8 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | L116 H117 | L116-S119 WeakPolarHBondContact O-CB 3.47Å; L116-S119 PolarHBondContact O-N 3.02Å; L116-S119 PolarHBondContact O-OG 2.77Å; L116-S119 VanDerWaalsContact O-OG 3.1Å; H117-S119 VanDerWaalsContact C-N 3.3Å; H117-S119 PolarHBondContact O-N 3.07Å | ||
| 120 | T | 77.3 | Confident | 80.1 | Confident | 129 Ų | 129 | 114 Ų | 114 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | -103.6 | 139.3 | 177.3 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | V | 84.2 | Confident | 80.6 | Confident | 93 Ų | 93 | 113.6 Ų | 113.6 | 56% | 0.564 | 63% | 0.632 | S | S | * | * | trans | -105.9 | 127.8 | 168.9 | -173 | 0 | 0 | 0 | 0 | 107.5 | L129 | V121-L129 HydrophobicContact CG1-CD2 3.83Š| ||
| 122 | G | 85.8 | Confident | 80.8 | Confident | 59 Ų | 59 | 115.4 Ų | 115.4 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | trans | -153.2 | 160.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 123 | G | 86.3 | Confident | 80.9 | Confident | 42 Ų | 42 | 111.8 Ų | 111.8 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | trans | -79.5 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 124 | R | 82.8 | Confident | 80.9 | Confident | 107 Ų | 107 | 114.5 Ų | 114.5 | 40% | 0.404 | 63% | 0.626 | S | S | . | * | trans | -72.5 | 162.3 | 169.6 | -66.9 | -176.5 | -175.1 | 178.5 | 3.1 | 109.6 | D126 Q127 | R124-D126 PolarHBondContact O-N 3.45Å; R124-Q127 HydrophobicContact CB-CB 4.05Å; R124-Q127 HydrophobicContact CB-CG 4.24Å; R124-Q127 PolarHBondContact O-N 3.31Å; R124-Q127 VanDerWaalsContact O-O 3.06Å | ||
| 125 | K | 82.8 | Confident | 80.9 | Confident | 184 Ų | 184 | 115 Ų | 115 | 80% | 0.8 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 128 | 170.7 | -169.4 | -173.7 | 172 | -178.8 | 0 | 109.3 | Q127 | K125-Q127 PolarHBondContact O-N 3.13Š|
| 126 | D | 84.2 | Confident | 81.4 | Confident | 152 Ų | 152 | 117.1 Ų | 117.1 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.4 | 23.6 | -179.6 | -47.6 | -43.7 | 0 | 0 | 0 | 114.3 | R124 | R124-D126 PolarHBondContact O-N 3.45Š|
| 127 | Q | 85.2 | Confident | 82.2 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 54% | 0.542 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -132.5 | 133.5 | 175.2 | -61.8 | -173.5 | -9.9 | 0 | 0 | 111.2 | R124 K125 | R124-Q127 HydrophobicContact CB-CB 4.05Å; R124-Q127 HydrophobicContact CB-CG 4.24Å; R124-Q127 PolarHBondContact O-N 3.31Å; R124-Q127 VanDerWaalsContact O-O 3.06Å; K125-Q127 PolarHBondContact O-N 3.13Å |
| 128 | D | 82.5 | Confident | 83.6 | Confident | 152 Ų | 152 | 106 Ų | 106 | 81% | 0.813 | 59% | 0.594 | S | S | * | * | trans | -67.4 | 138.6 | 177.4 | -63 | -26.7 | 0 | 0 | 0 | 111.2 | V130 | D128-V130 PolarHBondContact O-N 2.81Š| ||
| 129 | L | 87.6 | Confident | 84.7 | Confident | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | trans | -77.8 | 106.9 | 168.3 | 179.2 | 63.8 | 0 | 0 | 0 | 108.9 | V121 I131 | V121-L129 HydrophobicContact CG1-CD2 3.83Å; L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.21Å; L129-I131 HydrophobicContact CG-CG1 4.07Å | ||
| 130 | V | 87.1 | Confident | 85.7 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | trans | -92.5 | 112.3 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | D128 T132 | D128-V130 PolarHBondContact O-N 2.81Å; V130-T132 HydrophobicContact CG1-CG2 3.97Å | ||
| 131 | I | 88.1 | Confident | 86.1 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 43% | 0.426 | 56% | 0.564 | S | S | . | * | trans | -110 | 121.4 | 171.6 | -59.4 | 166.1 | 0 | 0 | 0 | 107.9 | L129 V138 F140 | L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.21Å; L129-I131 HydrophobicContact CG-CG1 4.07Å; I131-V138 HydrophobicContact CB-CG1 4.43Å; I131-V138 HydrophobicContact CG2-CB 4.49Å; I131-V138 HydrophobicContact CG2-CG1 3.57Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; I131-F140 HydrophobicContact CD1-CE1 3.99Å; I131-F140 HydrophobicContact CD1-CZ 3.68Å | ||
| 132 | T | 87.3 | Confident | 86.1 | Confident | 108 Ų | 108 | 105.4 Ų | 105.4 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | trans | -121.2 | 126 | -177.8 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | V130 | V130-T132 HydrophobicContact CG1-CG2 3.97Š| ||
| 133 | G | 85.1 | Confident | 86 | Confident | 35 Ų | 35 | 105.7 Ų | 105.7 | 36% | 0.361 | 58% | 0.577 | S | S | . | * | trans | -94.2 | 115 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N135 N136 | G133-N135 PolarHBondContact O-N 3.2Å; G133-N136 CarbonylContact C-O 3.5Å; G133-N136 VanDerWaalsContact CA-O 3.31Å; G133-N136 WeakPolarHBondContact CA-O 3.4Å | ||
| 134 | N | 83.3 | Confident | 85.8 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 70% | 0.695 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -79.6 | 100.4 | 175.9 | -71.6 | -20.9 | 0 | 0 | 0 | 109.4 | N136 | N134-N136 PolarHBondContact O-N 2.65Š|
| 135 | N | 83.2 | Confident | 86 | Confident | 173 Ų | 173 | 104.5 Ų | 104.5 | 93% | 0.925 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 56.9 | 12.1 | -174.8 | -63.4 | -23.8 | 0 | 0 | 0 | 115.1 | G133 | G133-N135 PolarHBondContact O-N 3.2Š|
| 136 | N | 85.9 | Confident | 86.3 | Confident | 119 Ų | 119 | 99.6 Ų | 99.6 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -126.3 | 147.9 | 179.5 | -72.6 | -40.9 | 0 | 0 | 0 | 109.4 | G133 N134 | G133-N136 CarbonylContact C-O 3.5Å; G133-N136 VanDerWaalsContact CA-O 3.31Å; G133-N136 WeakPolarHBondContact CA-O 3.4Å; N134-N136 PolarHBondContact O-N 2.65Å |
| 137 | P | 88.9 | Confident | 86.6 | Confident | 62 Ų | 62 | 95 Ų | 95 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | trans | -64.1 | 145.6 | 174.9 | 25.2 | -32.6 | 0 | 0 | 0 | 111.7 | V139 V149 E150 | P137-V139 HydrophobicContact CB-CG2 3.96Å; P137-V139 HydrophobicContact CG-CG2 4.08Å; P137-V149 WeakPolarHBondContact CA-O 3.36Å; P137-E150 HydrophobicContact CB-CG 3.71Å | ||
| 138 | V | 91.8 | Very high | 86.9 | Confident | 28 Ų | 28 | 89.7 Ų | 89.7 | 17% | 0.17 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.8 | 164.3 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | I131 F140 S148 V149 | I131-V138 HydrophobicContact CB-CG1 4.43Å; I131-V138 HydrophobicContact CG2-CB 4.49Å; I131-V138 HydrophobicContact CG2-CG1 3.57Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-F140 HydrophobicContact CG1-CD2 4.45Å; V138-F140 HydrophobicContact CG1-CE2 3.74Å; V138-F140 HydrophobicContact CG1-CZ 4.04Å; V138-S148 WeakPolarHBondContact O-CA 3.25Å; V138-V149 HydrophobicContact CB-CB 4.49Å; V138-V149 PolarHBondContact N-O 3.35Å; V138-V149 PolarHBondContact O-N 3.44Å |
| 139 | V | 90.9 | Very high | 87.4 | Confident | 62 Ų | 62 | 85.4 Ų | 85.4 | 38% | 0.376 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.8 | -174.1 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | P137 Q141 K146 L147 | P137-V139 HydrophobicContact CB-CG2 3.96Å; P137-V139 HydrophobicContact CG-CG2 4.08Å; V139-Q141 HydrophobicContact CG1-CB 4.33Å; V139-K146 HydrophobicContact CG1-CD 4.28Å; V139-K146 HydrophobicContact CG1-CG 3.98Å; V139-L147 CarbonylContact C-O 3.54Å; V139-L147 WeakPolarHBondContact CA-O 3.25Å |
| 140 | F | 88.8 | Confident | 87.5 | Confident | 104 Ų | 104 | 85.5 Ų | 85.5 | 46% | 0.456 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122 | 165.2 | -56.6 | -88.1 | 0 | 0 | 0 | 108.1 | I131 V138 K146 L147 | I131-F140 HydrophobicContact CD1-CE1 3.99Å; I131-F140 HydrophobicContact CD1-CZ 3.68Å; V138-F140 HydrophobicContact CG1-CD2 4.45Å; V138-F140 HydrophobicContact CG1-CE2 3.74Å; V138-F140 HydrophobicContact CG1-CZ 4.04Å; F140-K146 CarbonylContact O-C 3.6Å; F140-K146 WeakPolarHBondContact O-CA 3.21Å; F140-L147 HydrophobicContact CB-CB 4.26Å; F140-L147 HydrophobicContact CD2-CD2 3.79Å; F140-L147 HydrophobicContact CD2-CG 4.1Å; F140-L147 HydrophobicContact CE2-CD2 4.42Å; F140-L147 PolarHBondContact N-O 2.93Å; F140-L147 PolarHBondContact O-N 3.16Å |
| 141 | Q | 87.6 | Confident | 87.4 | Confident | 132 Ų | 132 | 89.4 Ų | 89.4 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133 | -177.5 | -175.5 | 177.4 | -10.5 | 0 | 0 | 111 | V139 G143 T145 K146 | V139-Q141 HydrophobicContact CG1-CB 4.33Å; Q141-G143 PolarHBondContact NE2-O 3.34Å; Q141-T145 WeakPolarHBondContact CA-O 3.48Å; Q141-K146 HydrophobicContact CG-CB 4.44Å |
| 142 | Q | 83.2 | Confident | 87.3 | Confident | 166 Ų | 166 | 93.2 Ų | 93.2 | 78% | 0.776 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 105.7 | 171.9 | -173.8 | 176.8 | 10.7 | 0 | 0 | 108.8 | S144 T145 | Q142-S144 PolarHBondContact O-N 3.42Å; Q142-T145 PolarHBondContact N-O 3.38Å; Q142-T145 WeakPolarHBondContact O-CB 3.37Å; Q142-T145 PolarHBondContact O-N 3.42Å |
| 143 | G | 83.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 94 Ų | 94 | 68% | 0.68 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -123 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q141 | Q141-G143 PolarHBondContact NE2-O 3.34Š|
| 144 | S | 82.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 96.4 Ų | 96.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.2 | 174.6 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | Q142 D159 | Q142-S144 PolarHBondContact O-N 3.42Å; S144-D159 WeakPolarHBondContact CB-OD2 3.21Å; S144-D159 PolarHBondContact OG-OD2 3.28Å |
| 145 | T | 85.6 | Confident | 87.6 | Confident | 60 Ų | 60 | 91.6 Ų | 91.6 | 37% | 0.368 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.2 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | Q141 Q142 T157 | Q141-T145 WeakPolarHBondContact CA-O 3.48Å; Q142-T145 PolarHBondContact N-O 3.38Å; Q142-T145 WeakPolarHBondContact O-CB 3.37Å; Q142-T145 PolarHBondContact O-N 3.42Å; T145-T157 CarbonylContact C-O 3.48Å; T145-T157 VanDerWaalsContact CA-O 3.25Å; T145-T157 WeakPolarHBondContact CA-O 3.46Å |
| 146 | K | 90.1 | Very high | 87.8 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 35% | 0.348 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126.3 | -175.6 | -176.7 | 178.4 | 176 | 176.8 | 0 | 111.3 | V139 F140 Q141 I156 T157 | V139-K146 HydrophobicContact CG1-CD 4.28Å; V139-K146 HydrophobicContact CG1-CG 3.98Å; F140-K146 CarbonylContact O-C 3.6Å; F140-K146 WeakPolarHBondContact O-CA 3.21Å; Q141-K146 HydrophobicContact CG-CB 4.44Å; K146-I156 CarbonylContact O-C 3.6Å; K146-I156 WeakPolarHBondContact O-CA 3.48Å; K146-T157 PolarHBondContact N-O 2.87Å; K146-T157 PolarHBondContact O-N 3.38Å |
| 147 | L | 90.3 | Very high | 87.8 | Confident | 57 Ų | 57 | 84.4 Ų | 84.4 | 30% | 0.298 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.3 | 166.6 | 165.9 | 66.1 | 0 | 0 | 0 | 108.1 | V139 F140 V149 T154 I156 | V139-L147 CarbonylContact C-O 3.54Å; V139-L147 WeakPolarHBondContact CA-O 3.25Å; F140-L147 HydrophobicContact CB-CB 4.26Å; F140-L147 HydrophobicContact CD2-CD2 3.79Å; F140-L147 HydrophobicContact CD2-CG 4.1Å; F140-L147 HydrophobicContact CE2-CD2 4.42Å; F140-L147 PolarHBondContact N-O 2.93Å; F140-L147 PolarHBondContact O-N 3.16Å; L147-V149 HydrophobicContact CD1-CG2 4.26Å; L147-V149 HydrophobicContact CG-CG2 4.43Å; L147-T154 HydrophobicContact CD1-CG2 4.01Å; L147-I156 HydrophobicContact CD1-CD1 4.01Å; L147-I156 HydrophobicContact CD1-CG1 3.69Å |
| 148 | S | 91.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.021 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.7 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V138 E150 T154 S155 | V138-S148 WeakPolarHBondContact O-CA 3.25Å; S148-E150 PolarHBondContact OG-OE1 2.94Å; S148-T154 WeakPolarHBondContact O-CA 3.18Å; S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 2.89Å; S148-S155 PolarHBondContact O-N 3.39Å |
| 149 | V | 91.4 | Very high | 86.6 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 38% | 0.376 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 109 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | P137 V138 L147 T154 | P137-V149 WeakPolarHBondContact CA-O 3.36Å; V138-V149 HydrophobicContact CB-CB 4.49Å; V138-V149 PolarHBondContact N-O 3.35Å; V138-V149 PolarHBondContact O-N 3.44Å; L147-V149 HydrophobicContact CD1-CG2 4.26Å; L147-V149 HydrophobicContact CG-CG2 4.43Å; V149-T154 HydrophobicContact CG2-CG2 4.27Å |
| 150 | E | 89.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 92 Ų | 92 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | trans | -109.9 | 166.1 | 175.3 | -65.6 | 160.4 | -146.9 | 0 | 0 | 110.4 | P137 S148 E152 K153 | P137-E150 HydrophobicContact CB-CG 3.71Å; S148-E150 PolarHBondContact OG-OE1 2.94Å; E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.9Å; E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 VanDerWaalsContact CB-O 3.25Å; E150-K153 WeakPolarHBondContact CB-O 3.33Å; E150-K153 PolarHBondContact N-O 2.84Å; E150-K153 PolarHBondContact O-N 3.35Å | ||
| 151 | K | 84.9 | Confident | 84.9 | Confident | 196 Ų | 196 | 88.2 Ų | 88.2 | 85% | 0.852 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -54.9 | -41.8 | -179.3 | -174 | -176.8 | 173.1 | -175.5 | 0 | 113.3 | ||
| 152 | E | 87.1 | Confident | 84.5 | Confident | 163 Ų | 163 | 83.8 Ų | 83.8 | 76% | 0.762 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -108.4 | -8.4 | -174.2 | -56 | -59.5 | 149.5 | 0 | 0 | 112.9 | E150 | E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.9Å |
| 153 | K | 86.1 | Confident | 84.5 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | trans | -150 | 132.1 | -169.7 | -173.5 | -174.7 | -179.9 | -163.7 | 0 | 111.3 | E150 | E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 VanDerWaalsContact CB-O 3.25Å; E150-K153 WeakPolarHBondContact CB-O 3.33Å; E150-K153 PolarHBondContact N-O 2.84Å; E150-K153 PolarHBondContact O-N 3.35Å | ||
| 154 | T | 87.5 | Confident | 84.5 | Confident | 87 Ų | 87 | 80.9 Ų | 80.9 | 53% | 0.534 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.1 | 160.1 | -59.9 | 0 | 0 | 0 | 0 | 108 | L147 S148 V149 | L147-T154 HydrophobicContact CD1-CG2 4.01Å; S148-T154 WeakPolarHBondContact O-CA 3.18Å; V149-T154 HydrophobicContact CG2-CG2 4.27Å |
| 155 | S | 87.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 20% | 0.203 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.7 | 177.4 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | S148 | S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 2.89Å; S148-S155 PolarHBondContact O-N 3.39Å |
| 156 | I | 87.4 | Confident | 84.4 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.7 | 178.4 | -43.8 | -175.9 | 0 | 0 | 0 | 107.4 | K146 L147 I162 F164 | K146-I156 CarbonylContact O-C 3.6Å; K146-I156 WeakPolarHBondContact O-CA 3.48Å; L147-I156 HydrophobicContact CD1-CD1 4.01Å; L147-I156 HydrophobicContact CD1-CG1 3.69Å; I156-I162 HydrophobicContact CB-CD1 3.56Å; I156-I162 HydrophobicContact CB-CG1 4.49Å; I156-I162 HydrophobicContact CD1-CD1 4.47Å; I156-I162 HydrophobicContact CD1-CG2 4.34Å; I156-I162 HydrophobicContact CG2-CD1 3.29Å; I156-I162 HydrophobicContact CG2-CG1 3.7Å; I156-I162 HydrophobicContact CG2-CG2 4.44Å; I156-F164 HydrophobicContact CD1-CE1 4.25Å; I156-F164 HydrophobicContact CD1-CZ 3.6Å |
| 157 | T | 85.7 | Confident | 84 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 107.1 | T145 K146 | T145-T157 CarbonylContact C-O 3.48Å; T145-T157 VanDerWaalsContact CA-O 3.25Å; T145-T157 WeakPolarHBondContact CA-O 3.46Å; K146-T157 PolarHBondContact N-O 2.87Å; K146-T157 PolarHBondContact O-N 3.38Å |
| 158 | S | 81.6 | Confident | 83.8 | Confident | 34 Ų | 34 | 88 Ų | 88 | 24% | 0.238 | 46% | 0.455 | C | S | . | . | trans | -149.7 | 139.9 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | M160 G161 | S158-M160 PolarHBondContact OG-N 2.97Å; S158-G161 VanDerWaalsContact CB-O 3.28Å; S158-G161 WeakPolarHBondContact CB-O 3.31Å; S158-G161 PolarHBondContact OG-N 2.85Å; S158-G161 PolarHBondContact OG-O 3.27Å | ||
| 159 | D | 74 | Confident | 83.7 | Confident | 123 Ų | 123 | 91.2 Ų | 91.2 | 66% | 0.658 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -81.3 | -27.7 | 176.7 | -61.9 | -21.7 | 0 | 0 | 0 | 111.8 | S144 | S144-D159 WeakPolarHBondContact CB-OD2 3.21Å; S144-D159 PolarHBondContact OG-OD2 3.28Å |
| 160 | M | 70.5 | Confident | 83.4 | Confident | 155 Ų | 155 | 95 Ų | 95 | 76% | 0.764 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -102 | 7.4 | -175.3 | -69 | 174.8 | 45.4 | 0 | 0 | 113.3 | S158 | S158-M160 PolarHBondContact OG-N 2.97Š|
| 161 | G | 74.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 95.3 Ų | 95.3 | 25% | 0.247 | 49% | 0.493 | C | S | . | . | trans | 86.1 | -179.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S158 T176 | S158-G161 VanDerWaalsContact CB-O 3.28Å; S158-G161 WeakPolarHBondContact CB-O 3.31Å; S158-G161 PolarHBondContact OG-N 2.85Å; S158-G161 PolarHBondContact OG-O 3.27Å; G161-T176 WeakPolarHBondContact CA-OG1 3.22Å | ||
| 162 | I | 79.3 | Confident | 83 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 21% | 0.205 | 47% | 0.472 | C | S | . | . | trans | -138.3 | 133.7 | -170.8 | -58.2 | 156 | 0 | 0 | 0 | 108.3 | I156 F164 S175 T176 | I156-I162 HydrophobicContact CB-CD1 3.56Å; I156-I162 HydrophobicContact CB-CG1 4.49Å; I156-I162 HydrophobicContact CD1-CD1 4.47Å; I156-I162 HydrophobicContact CD1-CG2 4.34Å; I156-I162 HydrophobicContact CG2-CD1 3.29Å; I156-I162 HydrophobicContact CG2-CG1 3.7Å; I156-I162 HydrophobicContact CG2-CG2 4.44Å; I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 4.04Å; I162-S175 CarbonylContact O-C 3.53Å; I162-S175 VanDerWaalsContact O-CA 3.28Å; I162-S175 WeakPolarHBondContact O-CA 3.35Å; I162-T176 HydrophobicContact CB-CG2 4.5Å; I162-T176 PolarHBondContact N-OG1 3.22Å; I162-T176 PolarHBondContact O-N 3.44Å | ||
| 163 | S | 82.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 88.2 Ų | 88.2 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.4 | 171.1 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | F174 | S163-F174 CarbonylContact C-O 3.55Å; S163-F174 VanDerWaalsContact CA-O 3.29Å; S163-F174 WeakPolarHBondContact CA-O 3.43Å |
| 164 | F | 83.1 | Confident | 82.1 | Confident | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.1 | 171.1 | -61.7 | -85.5 | 0 | 0 | 0 | 108.1 | I156 I162 T172 F173 F174 | I156-F164 HydrophobicContact CD1-CE1 4.25Å; I156-F164 HydrophobicContact CD1-CZ 3.6Å; I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 4.04Å; F164-T172 CarbonylContact O-C 3.49Å; F164-F173 PolarHBondContact O-N 3.27Å; F164-F174 HydrophobicContact CB-CB 4.43Å; F164-F174 HydrophobicContact CD2-CB 3.9Å; F164-F174 AromaticContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CD1 3.44Å; F164-F174 VanDerWaalsContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CE1 4.26Å; F164-F174 HydrophobicContact CD2-CG 4.02Å; F164-F174 AromaticContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CE1 4.01Å; F164-F174 HydrophobicContact CE2-CG 4.46Å; F164-F174 PolarHBondContact N-O 2.89Å; F164-F174 PolarHBondContact O-N 3.46Å |
| 165 | T | 84.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 83 Ų | 83 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135 | -178 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | P167 N171 T172 | T165-P167 WeakPolarHBondContact O-CD 3.42Å; T165-N171 WeakPolarHBondContact CA-O 3.21Å; T165-T172 PolarHBondContact OG1-OG1 2.84Å; T165-T172 VanDerWaalsContact OG1-OG1 3.09Å |
| 166 | D | 83.2 | Confident | 80.8 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 19% | 0.187 | 45% | 0.447 | C | S | . | . | trans | -65.2 | 118.5 | 168.9 | 179.1 | -8.7 | 0 | 0 | 0 | 109 | R168 T169 Q170 N171 F173 | D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 WeakPolarHBondContact OD1-CB 3.32Å; D166-R168 PolarHBondContact OD1-N 3.25Å; D166-T169 WeakPolarHBondContact CB-OG1 3.35Å; D166-T169 PolarHBondContact OD1-N 2.87Å; D166-T169 WeakPolarHBondContact OD2-CB 3.29Å; D166-T169 VanDerWaalsContact OD2-CG2 3.26Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-OG1 3.31Å; D166-Q170 WeakPolarHBondContact O-CA 3.4Å; D166-Q170 PolarHBondContact O-N 3.25Å; D166-N171 PolarHBondContact N-O 3.42Å; D166-F173 HydrophobicContact CB-CE2 3.71Å; D166-F173 HydrophobicContact CB-CZ 4.17Å | ||
| 167 | P | 80.5 | Confident | 79.8 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 71% | 0.708 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.2 | -178.8 | 26.1 | -34.6 | 0 | 0 | 0 | 113 | T165 Q170 | T165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-Q170 PolarHBondContact O-NE2 3.49Å |
| 168 | R | 86 | Confident | 78.6 | Confident | 213 Ų | 213 | 85.9 Ų | 85.9 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -45 | -177.1 | -172.1 | -177.8 | 67.5 | 123.7 | 1.8 | 112.2 | D166 | D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 WeakPolarHBondContact OD1-CB 3.32Å; D166-R168 PolarHBondContact OD1-N 3.25Å |
| 169 | T | 90.1 | Very high | 77.5 | Confident | 71 Ų | 71 | 93.1 Ų | 93.1 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.5 | -177.7 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | D166 N171 | D166-T169 WeakPolarHBondContact CB-OG1 3.35Å; D166-T169 PolarHBondContact OD1-N 2.87Å; D166-T169 WeakPolarHBondContact OD2-CB 3.29Å; D166-T169 VanDerWaalsContact OD2-CG2 3.26Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-OG1 3.31Å; T169-N171 PolarHBondContact O-N 2.87Å; T169-N171 VanDerWaalsContact O-N 3.14Å; T169-N171 WeakPolarHBondContact OG1-CB 3.46Å; T169-N171 PolarHBondContact OG1-N 2.91Å |
| 170 | Q | 86.3 | Confident | 76.9 | Confident | 141 Ų | 141 | 92.8 Ų | 92.8 | 66% | 0.659 | 48% | 0.477 | S | S | * | . | trans | 56.1 | 20.5 | -171.5 | -63.7 | -67.4 | -47.3 | 0 | 0 | 113 | D166 P167 | D166-Q170 WeakPolarHBondContact O-CA 3.4Å; D166-Q170 PolarHBondContact O-N 3.25Å; P167-Q170 PolarHBondContact O-NE2 3.49Å | ||
| 171 | N | 84.8 | Confident | 76.4 | Confident | 93 Ų | 93 | 94.4 Ų | 94.4 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | trans | -88.1 | 124.5 | 179.6 | -169.2 | 21.4 | 0 | 0 | 0 | 110.3 | T165 D166 T169 | T165-N171 WeakPolarHBondContact CA-O 3.21Å; D166-N171 PolarHBondContact N-O 3.42Å; T169-N171 PolarHBondContact O-N 2.87Å; T169-N171 VanDerWaalsContact O-N 3.14Å; T169-N171 WeakPolarHBondContact OG1-CB 3.46Å; T169-N171 PolarHBondContact OG1-N 2.91Å | ||
| 172 | T | 80.2 | Confident | 75.9 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 114.9 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | F164 T165 F174 | F164-T172 CarbonylContact O-C 3.49Å; T165-T172 PolarHBondContact OG1-OG1 2.84Å; T165-T172 VanDerWaalsContact OG1-OG1 3.09Å; T172-F174 WeakPolarHBondContact CG2-O 3.37Å |
| 173 | F | 79.1 | Confident | 75.5 | Confident | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -32.5 | 177 | -66.1 | -63.1 | 0 | 0 | 0 | 112.5 | F164 D166 | F164-F173 PolarHBondContact O-N 3.27Å; D166-F173 HydrophobicContact CB-CE2 3.71Å; D166-F173 HydrophobicContact CB-CZ 4.17Å |
| 174 | F | 75.3 | Confident | 75 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 136.6 | -178.2 | 175.4 | -86.6 | 0 | 0 | 0 | 109.3 | S163 F164 T172 T176 | S163-F174 CarbonylContact C-O 3.55Å; S163-F174 VanDerWaalsContact CA-O 3.29Å; S163-F174 WeakPolarHBondContact CA-O 3.43Å; F164-F174 HydrophobicContact CB-CB 4.43Å; F164-F174 HydrophobicContact CD2-CB 3.9Å; F164-F174 AromaticContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CD1 3.44Å; F164-F174 VanDerWaalsContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CE1 4.26Å; F164-F174 HydrophobicContact CD2-CG 4.02Å; F164-F174 AromaticContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CE1 4.01Å; F164-F174 HydrophobicContact CE2-CG 4.46Å; F164-F174 PolarHBondContact N-O 2.89Å; F164-F174 PolarHBondContact O-N 3.46Å; T172-F174 WeakPolarHBondContact CG2-O 3.37Å; F174-T176 HydrophobicContact CD1-CG2 4.36Å; F174-T176 HydrophobicContact CE1-CG2 3.36Å; F174-T176 HydrophobicContact CZ-CG2 3.62Å |
| 175 | S | 75.2 | Confident | 74.5 | Confident | 25 Ų | 25 | 102.1 Ų | 102.1 | 18% | 0.175 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.1 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | I162 D177 F178 | I162-S175 CarbonylContact O-C 3.53Å; I162-S175 VanDerWaalsContact O-CA 3.28Å; I162-S175 WeakPolarHBondContact O-CA 3.35Å; S175-D177 PolarHBondContact OG-N 2.83Å; S175-D177 VanDerWaalsContact OG-N 3.11Å; S175-D177 PolarHBondContact OG-O 3.42Å; S175-F178 WeakPolarHBondContact O-CE2 3.35Å |
| 176 | T | 74 | Confident | 73.9 | Confident | 60 Ų | 60 | 102.6 Ų | 102.6 | 37% | 0.368 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -101.1 | -12.5 | 162.8 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | G161 I162 F174 F178 | G161-T176 WeakPolarHBondContact CA-OG1 3.22Å; I162-T176 HydrophobicContact CB-CG2 4.5Å; I162-T176 PolarHBondContact N-OG1 3.22Å; I162-T176 PolarHBondContact O-N 3.44Å; F174-T176 HydrophobicContact CD1-CG2 4.36Å; F174-T176 HydrophobicContact CE1-CG2 3.36Å; F174-T176 HydrophobicContact CZ-CG2 3.62Å; T176-F178 PolarHBondContact O-N 3.29Å |
| 177 | D | 65.5 | Low | 73.2 | Confident | 95 Ų | 95 | 111.4 Ų | 111.4 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | trans | -80.4 | 96.2 | 172.3 | -170 | 9.3 | 0 | 0 | 0 | 107.3 | S175 | S175-D177 PolarHBondContact OG-N 2.83Å; S175-D177 VanDerWaalsContact OG-N 3.11Å; S175-D177 PolarHBondContact OG-O 3.42Å | ||
| 178 | F | 61.3 | Low | 72.9 | Confident | 74 Ų | 74 | 110 Ų | 110 | 33% | 0.325 | 55% | 0.55 | S | S | . | . | trans | -116.6 | 121.1 | 167 | -74.2 | -77.8 | 0 | 0 | 0 | 106.2 | S175 T176 N180 H181 E182 | S175-F178 WeakPolarHBondContact O-CE2 3.35Å; T176-F178 PolarHBondContact O-N 3.29Å; F178-N180 PolarHBondContact O-N 2.91Å; F178-H181 PolarHBondContact O-N 2.86Å; F178-E182 WeakPolarHBondContact CB-O 3.29Å; F178-E182 VanDerWaalsContact CD2-O 3.26Å; F178-E182 WeakPolarHBondContact CD2-O 3.29Å; F178-E182 WeakPolarHBondContact CG-O 3.38Å | ||
| 179 | E | 58.5 | Low | 72.4 | Confident | 185 Ų | 185 | 103 Ų | 103 | 86% | 0.864 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -24.4 | -177.7 | -68.7 | -176.6 | 155.1 | 0 | 0 | 113.4 | ||
| 180 | N | 60.6 | Low | 71.8 | Confident | 117 Ų | 117 | 109 Ų | 109 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 5.9 | -178.3 | -60.8 | -27.8 | 0 | 0 | 0 | 114.9 | F178 E182 | F178-N180 PolarHBondContact O-N 2.91Å; N180-E182 HydrophobicContact CB-CB 4.41Å; N180-E182 HydrophobicContact CB-CG 4.07Å; N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.08Å |
| 181 | H | 61.3 | Low | 71.7 | Confident | 188 Ų | 188 | 108 Ų | 108 | 87% | 0.87 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 57.4 | 17.3 | -171.5 | -58.9 | 67.5 | 0 | 0 | 0 | 113.8 | F178 | F178-H181 PolarHBondContact O-N 2.86Š|
| 182 | E | 62.4 | Low | 71.7 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | trans | -94.7 | 120.2 | -179.1 | -68.5 | -173.3 | -178.1 | 0 | 0 | 110.4 | F178 N180 H184 | F178-E182 WeakPolarHBondContact CB-O 3.29Å; F178-E182 VanDerWaalsContact CD2-O 3.26Å; F178-E182 WeakPolarHBondContact CD2-O 3.29Å; F178-E182 WeakPolarHBondContact CG-O 3.38Å; N180-E182 HydrophobicContact CB-CB 4.41Å; N180-E182 HydrophobicContact CB-CG 4.07Å; N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.08Å; E182-H184 PolarHBondContact O-N 3.28Å; E182-H184 IonicContact OE2-CE1 3.27Å; E182-H184 PolarHBondContact OE2-CE1 2.86Å; E182-H184 VanDerWaalsContact OE2-CE1 3.27Å; E182-H184 IonicContact OE2-NE2 3.57Å | ||
| 183 | F | 72.1 | Confident | 71.9 | Confident | 118 Ų | 118 | 110.5 Ų | 110.5 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | trans | -86.4 | 104.9 | 172.3 | 179.1 | -101.3 | 0 | 0 | 0 | 110.2 | L185 | F183-L185 HydrophobicContact CE1-CD2 3.9Š| ||
| 184 | H | 72 | Confident | 72.2 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -89.8 | 138.6 | 173.1 | -59.3 | -65.2 | 0 | 0 | 0 | 111.7 | E182 | E182-H184 PolarHBondContact O-N 3.28Å; E182-H184 IonicContact OE2-CE1 3.27Å; E182-H184 PolarHBondContact OE2-CE1 2.86Å; E182-H184 VanDerWaalsContact OE2-CE1 3.27Å; E182-H184 IonicContact OE2-NE2 3.57Å |
| 185 | L | 72.5 | Confident | 72.7 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 37% | 0.372 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -70 | 135.2 | 171.5 | -67.4 | 172.3 | 0 | 0 | 0 | 110.2 | F183 V189 L192 | F183-L185 HydrophobicContact CE1-CD2 3.9Å; L185-V189 HydrophobicContact CB-CB 4.27Å; L185-V189 HydrophobicContact CB-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.03Å; L185-L192 HydrophobicContact CD1-CB 4.44Å; L185-L192 HydrophobicContact CD2-CB 4.12Å; L185-L192 HydrophobicContact CD2-CD1 4.09Å; L185-L192 HydrophobicContact CD2-CD2 4.4Å; L185-L192 HydrophobicContact CD2-CG 4.43Å |
| 186 | P | 70.1 | Confident | 73.2 | Confident | 63 Ų | 63 | 122.3 Ų | 122.3 | 41% | 0.409 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 152 | 175.6 | -24.1 | 32.3 | 0 | 0 | 0 | 112.6 | G188 V189 | P186-G188 PolarHBondContact O-N 3.38Å; P186-G188 VanDerWaalsContact O-N 3.17Å; P186-V189 HydrophobicContact CB-CG2 4.14Å; P186-V189 HydrophobicContact CG-CG2 4.35Å; P186-V189 WeakPolarHBondContact O-CB 3.25Å; P186-V189 PolarHBondContact O-N 2.84Å |
| 187 | K | 69.6 | Low | 73.8 | Confident | 220 Ų | 220 | 122.5 Ų | 122.5 | 96% | 0.957 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 123.6 | 177.6 | -68.3 | -175.6 | -178.3 | 177.8 | 0 | 110.4 | ||
| 188 | G | 74 | Confident | 74.7 | Confident | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.3 | -18.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P186 K190 | P186-G188 PolarHBondContact O-N 3.38Å; P186-G188 VanDerWaalsContact O-N 3.17Å; G188-K190 PolarHBondContact O-N 3.28Å |
| 189 | V | 75.1 | Confident | 75.9 | Confident | 67 Ų | 67 | 124.5 Ų | 124.5 | 41% | 0.406 | 66% | 0.663 | S | S | . | * | trans | -84.9 | 110.2 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | L185 P186 | L185-V189 HydrophobicContact CB-CB 4.27Å; L185-V189 HydrophobicContact CB-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.03Å; P186-V189 HydrophobicContact CB-CG2 4.14Å; P186-V189 HydrophobicContact CG-CG2 4.35Å; P186-V189 WeakPolarHBondContact O-CB 3.25Å; P186-V189 PolarHBondContact O-N 2.84Å | ||
| 190 | K | 78.7 | Confident | 77.1 | Confident | 197 Ų | 197 | 125.4 Ų | 125.4 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | trans | -100.2 | -21.2 | 179.2 | -65.6 | -175.9 | -179.8 | -179.5 | 0 | 114 | G188 | G188-K190 PolarHBondContact O-N 3.28Š| ||
| 191 | V | 82.9 | Confident | 78.3 | Confident | 120 Ų | 120 | 128.6 Ų | 128.6 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -128.6 | 126.1 | -173.3 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 192 | L | 84.6 | Confident | 79.7 | Confident | 96 Ų | 96 | 124.5 Ų | 124.5 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -102.9 | 110.3 | 172 | -178.6 | 61.7 | 0 | 0 | 0 | 108.6 | L185 V194 | L185-L192 HydrophobicContact CD1-CB 4.44Å; L185-L192 HydrophobicContact CD2-CB 4.12Å; L185-L192 HydrophobicContact CD2-CD1 4.09Å; L185-L192 HydrophobicContact CD2-CD2 4.4Å; L185-L192 HydrophobicContact CD2-CG 4.43Å; L192-V194 HydrophobicContact CD1-CG1 3.84Å; L192-V194 HydrophobicContact CD2-CG1 4.4Å; L192-V194 HydrophobicContact CG-CG1 3.87Å | ||
| 193 | S | 86 | Confident | 80.9 | Confident | 118 Ų | 118 | 123.7 Ų | 123.7 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -101.9 | 112.6 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 194 | V | 85 | Confident | 81.7 | Confident | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | trans | -137.6 | 144.9 | -175.8 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | L192 A197 | L192-V194 HydrophobicContact CD1-CG1 3.84Å; L192-V194 HydrophobicContact CD2-CG1 4.4Å; L192-V194 HydrophobicContact CG-CG1 3.87Å; V194-A197 HydrophobicContact CG2-CB 4.16Å | ||
| 195 | K | 85.3 | Confident | 82.2 | Confident | 224 Ų | 224 | 120.7 Ų | 120.7 | 97% | 0.974 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -76.3 | -33.6 | 175.1 | -69.3 | -175.7 | 178.6 | 179.7 | 0 | 112.8 | ||
| 196 | K | 86.2 | Confident | 82.6 | Confident | 186 Ų | 186 | 122.6 Ų | 122.6 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | trans | -153.4 | 131.3 | 178.8 | -175 | 179.2 | 179.4 | -175.5 | 0 | 108.2 | ||||
| 197 | A | 85.4 | Confident | 83.3 | Confident | 64 Ų | 64 | 124.8 Ų | 124.8 | 53% | 0.529 | 70% | 0.695 | S | S | . | * | trans | -120.3 | 138.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V194 | V194-A197 HydrophobicContact CG2-CB 4.16Š| ||
| 198 | S | 85.9 | Confident | 84.1 | Confident | 124 Ų | 124 | 116.8 Ų | 116.8 | 87% | 0.867 | 67% | 0.667 | S | S | * | * | trans | -124.2 | 111.3 | 171.4 | -169.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 199 | T | 85.1 | Confident | 84.9 | Confident | 88 Ų | 88 | 120.9 Ų | 120.9 | 54% | 0.54 | 67% | 0.67 | S | S | . | * | trans | -150.8 | 153.4 | -177 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | R201 I202 | T199-R201 PolarHBondContact OG1-N 3.48Å; T199-R201 PolarHBondContact OG1-O 3.28Å; T199-I202 HydrophobicContact CG2-CD1 4.09Å; T199-I202 HydrophobicContact CG2-CG1 3.5Å; T199-I202 VanDerWaalsContact CG2-CG1 3.5Å | ||
| 200 | E | 84.3 | Confident | 85.7 | Confident | 204 Ų | 204 | 121.6 Ų | 121.6 | 95% | 0.953 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -71 | -35.1 | 175.8 | -61.8 | -179.8 | 178.1 | 0 | 0 | 111.3 | ||
| 201 | R | 86.7 | Confident | 86.2 | Confident | 184 Ų | 184 | 116.3 Ų | 116.3 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | trans | -149 | 135.3 | -174 | -174.5 | 173.9 | 171.1 | 177.6 | -5.6 | 112.3 | T199 | T199-R201 PolarHBondContact OG1-N 3.48Å; T199-R201 PolarHBondContact OG1-O 3.28Å | ||
| 202 | I | 89.1 | Confident | 86.6 | Confident | 101 Ų | 101 | 115.3 Ų | 115.3 | 52% | 0.518 | 65% | 0.649 | S | S | . | * | trans | -113.5 | 121.6 | 168.4 | -53.9 | 173.9 | 0 | 0 | 0 | 107.1 | T199 L210 | T199-I202 HydrophobicContact CG2-CD1 4.09Å; T199-I202 HydrophobicContact CG2-CG1 3.5Å; T199-I202 VanDerWaalsContact CG2-CG1 3.5Å; I202-L210 HydrophobicContact CB-CD2 4.44Å; I202-L210 HydrophobicContact CG2-CD1 3.93Å; I202-L210 HydrophobicContact CG2-CD2 3.81Å | ||
| 203 | T | 89.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 119.4 Ų | 119.4 | 56% | 0.558 | 66% | 0.663 | S | S | * | * | trans | -133 | 143.6 | 179.5 | -168 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 204 | S | 87.4 | Confident | 87 | Confident | 43 Ų | 43 | 115.7 Ų | 115.7 | 30% | 0.301 | 64% | 0.644 | S | S | . | * | trans | -82.2 | 170.4 | 164.5 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | S208 | S204-S208 WeakPolarHBondContact CB-O 3.31Å; S204-S208 PolarHBondContact OG-O 3.37Å | ||
| 205 | N | 83.7 | Confident | 86.9 | Confident | 114 Ų | 114 | 120.3 Ų | 120.3 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -68.1 | 152.1 | 166.9 | -170.7 | -6.4 | 0 | 0 | 0 | 109.6 | S207 S208 | N205-S207 PolarHBondContact O-N 2.86Å; N205-S208 WeakPolarHBondContact CB-OG 3.47Å; N205-S208 PolarHBondContact N-OG 2.84Å; N205-S208 PolarHBondContact O-N 3.38Å; N205-S208 VanDerWaalsContact O-O 3.04Å; N205-S208 PolarHBondContact O-OG 2.91Å; N205-S208 VanDerWaalsContact O-OG 3.13Å | ||
| 206 | A | 81.4 | Confident | 86.8 | Confident | 110 Ų | 110 | 115.7 Ų | 115.7 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -25.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 207 | S | 83.1 | Confident | 86.8 | Confident | 109 Ų | 109 | 114.2 Ų | 114.2 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 6.4 | -178.9 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | N205 | N205-S207 PolarHBondContact O-N 2.86Š|
| 208 | S | 87 | Confident | 86.9 | Confident | 52 Ų | 52 | 114.3 Ų | 114.3 | 36% | 0.364 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -138.9 | 148.9 | -170.6 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | S204 N205 | S204-S208 WeakPolarHBondContact CB-O 3.31Å; S204-S208 PolarHBondContact OG-O 3.37Å; N205-S208 WeakPolarHBondContact CB-OG 3.47Å; N205-S208 PolarHBondContact N-OG 2.84Å; N205-S208 PolarHBondContact O-N 3.38Å; N205-S208 VanDerWaalsContact O-O 3.04Å; N205-S208 PolarHBondContact O-OG 2.91Å; N205-S208 VanDerWaalsContact O-OG 3.13Å |
| 209 | D | 90.7 | Very high | 87.1 | Confident | 164 Ų | 164 | 112.9 Ų | 112.9 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -78.9 | 142.1 | 175.8 | -60.7 | -24.7 | 0 | 0 | 0 | 111.6 | ||||
| 210 | L | 91.3 | Very high | 87.4 | Confident | 82 Ų | 82 | 113.6 Ų | 113.6 | 43% | 0.429 | 64% | 0.637 | S | S | . | * | trans | -85.4 | 112.6 | 169.6 | -178.4 | 60.1 | 0 | 0 | 0 | 109.4 | I202 I212 | I202-L210 HydrophobicContact CB-CD2 4.44Å; I202-L210 HydrophobicContact CG2-CD1 3.93Å; I202-L210 HydrophobicContact CG2-CD2 3.81Å; L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.24Å | ||
| 211 | S | 91.1 | Very high | 87.7 | Confident | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | trans | -106.5 | 115.1 | 174.5 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | K213 | S211-K213 WeakPolarHBondContact OG-CE 3.39Š| ||
| 212 | I | 91.1 | Very high | 87.9 | Confident | 100 Ų | 100 | 107.1 Ų | 107.1 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | trans | -103.5 | 118.2 | 172.9 | -57 | 176.1 | 0 | 0 | 0 | 107.5 | L210 | L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.24Å | ||
| 213 | K | 90.1 | Very high | 87.9 | Confident | 181 Ų | 181 | 110.8 Ų | 110.8 | 79% | 0.787 | 64% | 0.636 | S | S | * | * | trans | -122.7 | 132.5 | 178.2 | -63.6 | -178.1 | -178.2 | 179.2 | 0 | 109.2 | S211 | S211-K213 WeakPolarHBondContact OG-CE 3.39Š| ||
| 214 | G | 87.4 | Confident | 87.9 | Confident | 41 Ų | 41 | 115.3 Ų | 115.3 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | trans | -112.1 | 137.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 215 | D | 83.6 | Confident | 88 | Confident | 178 Ų | 178 | 115.3 Ų | 115.3 | 95% | 0.952 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -61.6 | -47.3 | -179.3 | -63.4 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 216 | S | 83.4 | Confident | 88.3 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 89% | 0.888 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -127.4 | -32.9 | 177.9 | 60 | 0 | 0 | 0 | 0 | 113.2 | ||
| 217 | K | 85.1 | Confident | 88.9 | Confident | 155 Ų | 155 | 116.9 Ų | 116.9 | 67% | 0.674 | 65% | 0.645 | S | S | * | * | trans | -148.3 | 128.3 | -176.9 | -167.4 | 179.5 | -169.7 | -178.4 | 0 | 110.4 | I219 | K217-I219 HydrophobicContact CD-CD1 3.9Å; K217-I219 HydrophobicContact CD-CG1 4.02Å; K217-I219 HydrophobicContact CG-CD1 4.37Å; K217-I219 HydrophobicContact CG-CG1 3.92Å | ||
| 218 | A | 87.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 116.2 Ų | 116.2 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | trans | -115.3 | 130.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 219 | I | 90 | Very high | 89.5 | Confident | 93 Ų | 93 | 122 Ų | 122 | 48% | 0.477 | 66% | 0.655 | S | S | . | * | trans | -126.1 | 122.2 | 176.9 | -46.5 | 178.2 | 0 | 0 | 0 | 107.7 | K217 R221 | K217-I219 HydrophobicContact CD-CD1 3.9Å; K217-I219 HydrophobicContact CD-CG1 4.02Å; K217-I219 HydrophobicContact CG-CD1 4.37Å; K217-I219 HydrophobicContact CG-CG1 3.92Å; I219-R221 HydrophobicContact CG2-CG 3.89Å | ||
| 220 | I | 91.2 | Very high | 89.4 | Confident | 104 Ų | 104 | 116.7 Ų | 116.7 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | trans | -109.1 | 125.3 | 173 | -55 | 175 | 0 | 0 | 0 | 106.8 | V226 | I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å | ||
| 221 | R | 91.9 | Very high | 89.2 | Confident | 214 Ų | 214 | 123 Ų | 123 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | trans | -132.7 | 135.3 | 178.7 | -66.3 | -177.1 | 177.6 | 179.4 | -2.8 | 108.6 | I219 | I219-R221 HydrophobicContact CG2-CG 3.89Š| ||
| 222 | G | 90.3 | Very high | 89.1 | Confident | 38 Ų | 38 | 124.7 Ų | 124.7 | 39% | 0.392 | 67% | 0.671 | S | S | . | * | trans | -128.7 | 141.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E224 G225 | G222-E224 PolarHBondContact O-N 3.48Å; G222-G225 WeakPolarHBondContact CA-O 3.28Å; G222-G225 PolarHBondContact O-N 3.27Å | ||
| 223 | N | 88.9 | Confident | 89.1 | Confident | 177 Ų | 177 | 123.1 Ų | 123.1 | 95% | 0.947 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | -179.7 | -69.5 | 2.3 | 0 | 0 | 0 | 111.9 | ||
| 224 | E | 89.3 | Confident | 89 | Confident | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 13.8 | -178.9 | -60.8 | -178.1 | 171.4 | 0 | 0 | 112.4 | G222 | G222-E224 PolarHBondContact O-N 3.48Š|
| 225 | G | 88.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 125.3 Ų | 125.3 | 44% | 0.443 | 67% | 0.666 | S | S | . | * | trans | 105.6 | -178.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G222 | G222-G225 WeakPolarHBondContact CA-O 3.28Å; G222-G225 PolarHBondContact O-N 3.27Å | ||
| 226 | V | 91.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 126.4 Ų | 126.4 | 46% | 0.461 | 66% | 0.657 | S | S | . | * | trans | -130.9 | 120.9 | -177.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | I220 I228 | I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å; V226-I228 HydrophobicContact CG1-CG1 4.11Å | ||
| 227 | F | 92.8 | Very high | 89 | Confident | 181 Ų | 181 | 126.1 Ų | 126.1 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | trans | -107.8 | 117.2 | 178.2 | -60.2 | -86.8 | 0 | 0 | 0 | 109.6 | ||||
| 228 | I | 92.1 | Very high | 88.6 | Confident | 95 Ų | 95 | 123.3 Ų | 123.3 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | trans | -109.8 | 115.2 | 177.3 | -56 | 175.4 | 0 | 0 | 0 | 107.7 | V226 V233 F235 | V226-I228 HydrophobicContact CG1-CG1 4.11Å; I228-V233 HydrophobicContact CG2-CG1 3.9Å; I228-V233 HydrophobicContact CG2-CG2 4.03Å; I228-F235 HydrophobicContact CD1-CE1 4.33Å; I228-F235 HydrophobicContact CD1-CZ 4.04Å | ||
| 229 | M | 90.6 | Very high | 88.2 | Confident | 172 Ų | 172 | 122.8 Ų | 122.8 | 85% | 0.847 | 66% | 0.659 | S | S | * | * | trans | -119.4 | 133.4 | 178.3 | -65.4 | -170.6 | -66.4 | 0 | 0 | 110 | ||||
| 230 | G | 88.3 | Confident | 87.5 | Confident | 54 Ų | 54 | 125.9 Ų | 125.9 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | trans | -170.2 | 156.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T232 | G230-T232 PolarHBondContact O-N 2.89Š| ||
| 231 | K | 88.9 | Confident | 86.9 | Confident | 213 Ų | 213 | 125.9 Ų | 125.9 | 93% | 0.926 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -60.2 | -34.9 | 171.5 | -177.2 | 179.1 | 178.1 | -178.4 | 0 | 111.1 | ||
| 232 | T | 88.8 | Confident | 86.4 | Confident | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -142.8 | 129.9 | 174.1 | -54.9 | 0 | 0 | 0 | 0 | 107.6 | G230 | G230-T232 PolarHBondContact O-N 2.89Š|
| 233 | V | 89.6 | Confident | 86.1 | Confident | 68 Ų | 68 | 125.4 Ų | 125.4 | 41% | 0.412 | 68% | 0.676 | S | S | . | * | trans | -115.3 | 117.5 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | I228 F235 | I228-V233 HydrophobicContact CG2-CG1 3.9Å; I228-V233 HydrophobicContact CG2-CG2 4.03Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.39Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å | ||
| 234 | E | 89.4 | Confident | 86 | Confident | 126 Ų | 126 | 126.7 Ų | 126.7 | 59% | 0.589 | 67% | 0.668 | S | S | * | * | trans | -117.6 | 121.9 | -177.9 | -171 | -177.2 | -168.7 | 0 | 0 | 110.1 | R236 | E234-R236 VanDerWaalsContact CD-NH2 3.28Å; E234-R236 HydrophobicContact CG-CG 4.09Å; E234-R236 IonicContact OE1-CZ 3.25Å; E234-R236 VanDerWaalsContact OE1-CZ 3.25Å; E234-R236 IonicContact OE1-NE 2.71Å; E234-R236 PolarHBondContact OE1-NE 2.86Å; E234-R236 IonicContact OE1-NH2 2.93Å; E234-R236 PolarHBondContact OE1-NH2 3.21Å; E234-R236 IonicContact OE2-CZ 3.37Å; E234-R236 IonicContact OE2-NE 3.23Å; E234-R236 PolarHBondContact OE2-NE 3.36Å; E234-R236 IonicContact OE2-NH2 2.81Å; E234-R236 PolarHBondContact OE2-NH2 3.45Å | ||
| 235 | F | 87.9 | Confident | 85.7 | Confident | 141 Ų | 141 | 120.6 Ų | 120.6 | 62% | 0.618 | 65% | 0.649 | S | S | * | * | trans | -103.6 | 113.6 | 172 | -60.1 | -80.4 | 0 | 0 | 0 | 109.1 | I228 V233 | I228-F235 HydrophobicContact CD1-CE1 4.33Å; I228-F235 HydrophobicContact CD1-CZ 4.04Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.39Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å | ||
| 236 | R | 85.9 | Confident | 85.6 | Confident | 202 Ų | 202 | 127.9 Ų | 127.9 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | trans | -106.5 | 113.4 | 174.4 | -64.7 | -172.5 | -179.7 | 172.3 | 12.5 | 109.5 | E234 | E234-R236 VanDerWaalsContact CD-NH2 3.28Å; E234-R236 HydrophobicContact CG-CG 4.09Å; E234-R236 IonicContact OE1-CZ 3.25Å; E234-R236 VanDerWaalsContact OE1-CZ 3.25Å; E234-R236 IonicContact OE1-NE 2.71Å; E234-R236 PolarHBondContact OE1-NE 2.86Å; E234-R236 IonicContact OE1-NH2 2.93Å; E234-R236 PolarHBondContact OE1-NH2 3.21Å; E234-R236 IonicContact OE2-CZ 3.37Å; E234-R236 IonicContact OE2-NE 3.23Å; E234-R236 PolarHBondContact OE2-NE 3.36Å; E234-R236 IonicContact OE2-NH2 2.81Å; E234-R236 PolarHBondContact OE2-NH2 3.45Å | ||
| 237 | M | 80.4 | Confident | 85.2 | Confident | 120 Ų | 120 | 131.8 Ų | 131.8 | 59% | 0.591 | 69% | 0.69 | S | S | * | * | trans | -122.8 | 141.1 | 178.3 | -59 | -175 | 72.7 | 0 | 0 | 109.3 | G239 I241 | M237-G239 VanDerWaalsContact C-N 3.3Å; M237-I241 HydrophobicContact CB-CG1 4.14Å; M237-I241 HydrophobicContact CG-CG1 4.26Å; M237-I241 HydrophobicContact SD-CB 4.5Å; M237-I241 HydrophobicContact SD-CD1 4.47Å; M237-I241 HydrophobicContact SD-CG1 3.83Å; M237-I241 HydrophobicContact SD-CG2 4.49Å | ||
| 238 | G | 76.3 | Confident | 84.8 | Confident | 97 Ų | 97 | 127.3 Ų | 127.3 | 100% | 1 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -78.8 | -13.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 239 | G | 79.4 | Confident | 84.4 | Confident | 55 Ų | 55 | 126.9 Ų | 126.9 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -127.9 | -150.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M237 | M237-G239 VanDerWaalsContact C-N 3.3Š|
| 240 | D | 75.8 | Confident | 84 | Confident | 158 Ų | 158 | 124.2 Ų | 124.2 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | trans | -69.1 | 147.1 | -176.1 | -58.1 | -33.2 | 0 | 0 | 0 | 112.5 | ||||
| 241 | I | 77.9 | Confident | 83.7 | Confident | 104 Ų | 104 | 126.8 Ų | 126.8 | 53% | 0.533 | 67% | 0.672 | S | S | . | * | trans | -105.6 | 119 | 170.5 | -56.8 | -177.6 | 0 | 0 | 0 | 107.3 | M237 | M237-I241 HydrophobicContact CB-CG1 4.14Å; M237-I241 HydrophobicContact CG-CG1 4.26Å; M237-I241 HydrophobicContact SD-CB 4.5Å; M237-I241 HydrophobicContact SD-CD1 4.47Å; M237-I241 HydrophobicContact SD-CG1 3.83Å; M237-I241 HydrophobicContact SD-CG2 4.49Å | ||
| 242 | E | 81.4 | Confident | 83.1 | Confident | 130 Ų | 130 | 124.5 Ų | 124.5 | 61% | 0.607 | 67% | 0.67 | S | S | * | * | trans | -117.5 | 126.1 | 177.5 | -170.8 | 177 | -161.4 | 0 | 0 | 110.2 | R244 | E242-R244 VanDerWaalsContact CD-NH2 3.33Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-CZ 3.92Å; E242-R244 IonicContact OE1-NE 2.68Å; E242-R244 PolarHBondContact OE1-NE 2.89Å; E242-R244 IonicContact OE1-NH2 2.82Å; E242-R244 PolarHBondContact OE1-NH2 2.89Å; E242-R244 IonicContact OE2-CZ 3.11Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.84Å; E242-R244 IonicContact OE2-NH2 3.75Å; E242-R244 PolarHBondContact OE2-NH2 3.31Å | ||
| 243 | L | 84.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 121.4 Ų | 121.4 | 59% | 0.592 | 66% | 0.663 | S | S | * | * | trans | -108.6 | 116.7 | 174.1 | -57.1 | 175.8 | 0 | 0 | 0 | 108.3 | I249 | L243-I249 HydrophobicContact CB-CD1 3.72Å; L243-I249 WeakPolarHBondContact O-CD1 3.39Å | ||
| 244 | R | 86.8 | Confident | 81.4 | Confident | 204 Ų | 204 | 123.7 Ų | 123.7 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -119.2 | 133.5 | 176 | -64.7 | -171.6 | 179.2 | -174.2 | 5.6 | 109.9 | E242 | E242-R244 VanDerWaalsContact CD-NH2 3.33Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-CZ 3.92Å; E242-R244 IonicContact OE1-NE 2.68Å; E242-R244 PolarHBondContact OE1-NE 2.89Å; E242-R244 IonicContact OE1-NH2 2.82Å; E242-R244 PolarHBondContact OE1-NH2 2.89Å; E242-R244 IonicContact OE2-CZ 3.11Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.84Å; E242-R244 IonicContact OE2-NH2 3.75Å; E242-R244 PolarHBondContact OE2-NH2 3.31Å | ||
| 245 | A | 83.3 | Confident | 80.3 | Confident | 58 Ų | 58 | 122.2 Ų | 122.2 | 48% | 0.479 | 68% | 0.681 | S | S | . | * | trans | -137.2 | 147.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S248 I249 | A245-S248 WeakPolarHBondContact CB-O 3.44Å; A245-I249 HydrophobicContact CB-CD1 4.26Å; A245-I249 HydrophobicContact CB-CG1 3.55Å | ||
| 246 | E | 85.3 | Confident | 79.1 | Confident | 197 Ų | 197 | 123.6 Ų | 123.6 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -70.2 | -40.3 | 175.8 | -66.9 | -179.6 | 175.5 | 0 | 0 | 111.6 | ||
| 247 | N | 84.6 | Confident | 78.2 | Confident | 158 Ų | 158 | 118.8 Ų | 118.8 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -103.4 | -65.1 | -175.5 | -71.1 | -14.8 | 0 | 0 | 0 | 112.7 | ||
| 248 | S | 83.3 | Confident | 77 | Confident | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | trans | -158 | 155.9 | -177.5 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | A245 | A245-S248 WeakPolarHBondContact CB-O 3.44Š| ||
| 249 | I | 83.5 | Confident | 76.2 | Confident | 86 Ų | 86 | 116 Ų | 116 | 44% | 0.441 | 66% | 0.658 | S | S | . | * | trans | -116.7 | 116 | 169.2 | -57.8 | 172 | 0 | 0 | 0 | 106 | L243 A245 L251 | L243-I249 HydrophobicContact CB-CD1 3.72Å; L243-I249 WeakPolarHBondContact O-CD1 3.39Å; A245-I249 HydrophobicContact CB-CD1 4.26Å; A245-I249 HydrophobicContact CB-CG1 3.55Å; I249-L251 HydrophobicContact CG2-CD2 4.27Å; I249-L251 HydrophobicContact CG2-CG 4.29Å | ||
| 250 | V | 81.8 | Confident | 74.9 | Confident | 115 Ų | 115 | 118.5 Ų | 118.5 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | trans | -110.2 | 110 | 179.9 | -177 | 0 | 0 | 0 | 0 | 108.8 | N252 | V250-N252 HydrophobicContact CG1-CB 4.41Š| ||
| 251 | L | 83.6 | Confident | 73.8 | Confident | 108 Ų | 108 | 122.6 Ų | 122.6 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | trans | -99.4 | 88.3 | 173 | -59.2 | 179.2 | 0 | 0 | 0 | 108.5 | I249 G253 V255 | I249-L251 HydrophobicContact CG2-CD2 4.27Å; I249-L251 HydrophobicContact CG2-CG 4.29Å; L251-G253 PolarHBondContact O-N 3.14Å; L251-V255 HydrophobicContact CB-CG2 3.76Å; L251-V255 HydrophobicContact CD1-CG2 4.13Å | ||
| 252 | N | 75.6 | Confident | 72.6 | Confident | 166 Ų | 166 | 122.6 Ų | 122.6 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | trans | -85.9 | 101.4 | -178.7 | -162.8 | -6.3 | 0 | 0 | 0 | 110.1 | V250 | V250-N252 HydrophobicContact CG1-CB 4.41Š| ||
| 253 | G | 75.3 | Confident | 70.8 | Confident | 57 Ų | 57 | 125.9 Ų | 125.9 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 155.6 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L251 V255 | L251-G253 PolarHBondContact O-N 3.14Å; G253-V255 PolarHBondContact O-N 3.41Å; G253-V255 VanDerWaalsContact O-N 3.11Å |
| 254 | S | 67.1 | Low | 68.9 | Low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -75.1 | 99.7 | 170.7 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | M256 | S254-M256 PolarHBondContact O-N 3.31Š| ||
| 255 | V | 66.6 | Low | 67 | Low | 95 Ų | 95 | 122.7 Ų | 122.7 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | trans | -76.7 | 107 | 174 | -177 | 0 | 0 | 0 | 0 | 108.1 | L251 G253 | L251-V255 HydrophobicContact CB-CG2 3.76Å; L251-V255 HydrophobicContact CD1-CG2 4.13Å; G253-V255 PolarHBondContact O-N 3.41Å; G253-V255 VanDerWaalsContact O-N 3.11Å | ||
| 256 | M | 63.5 | Low | 65.1 | Low | 170 Ų | 170 | 123.9 Ų | 123.9 | 84% | 0.837 | 70% | 0.697 | S | S | * | * | trans | -102.7 | 113.6 | 173.3 | -70.8 | -164.6 | -68.7 | 0 | 0 | 110.2 | S254 S258 | S254-M256 PolarHBondContact O-N 3.31Å; M256-S258 PolarHBondContact O-N 2.86Å | ||
| 257 | V | 65.8 | Low | 63.2 | Low | 101 Ų | 101 | 122 Ų | 122 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | trans | -88.9 | 101.8 | 169.2 | -178.2 | 0 | 0 | 0 | 0 | 108 | V259 | V257-V259 PolarHBondContact O-N 3.27Š| ||
| 258 | S | 55.5 | Low | 61.3 | Low | 85 Ų | 85 | 118 Ų | 118 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | trans | -80.8 | 102.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | M256 S260 | M256-S258 PolarHBondContact O-N 2.86Å; S258-S260 PolarHBondContact O-N 2.92Å; S258-S260 PolarHBondContact OG-OG 3.3Å | ||
| 259 | V | 59.3 | Low | 59.4 | Low | 74 Ų | 74 | 116.5 Ų | 116.5 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -74.5 | -2.5 | 176.2 | -162.8 | 0 | 0 | 0 | 0 | 111.4 | V257 R261 M262 | V257-V259 PolarHBondContact O-N 3.27Å; V259-R261 PolarHBondContact O-N 2.91Å; V259-M262 HydrophobicContact CG1-CB 3.73Å; V259-M262 HydrophobicContact CG1-CG 3.88Å; V259-M262 HydrophobicContact CG1-SD 3.73Å; V259-M262 WeakPolarHBondContact O-CB 3.48Å; V259-M262 PolarHBondContact O-N 3.34Å |
| 260 | S | 52.7 | Low | 57.6 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -59.5 | -20.2 | -175.2 | -43 | 0 | 0 | 0 | 0 | 114.3 | S258 | S258-S260 PolarHBondContact O-N 2.92Å; S258-S260 PolarHBondContact OG-OG 3.3Å |
| 261 | R | 51.3 | Low | 55.9 | Low | 244 Ų | 244 | 116.6 Ų | 116.6 | 92% | 0.921 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -100.3 | -7.2 | 174.4 | -63.7 | -169.8 | -173.9 | -167.1 | 4.1 | 113.9 | V259 | V259-R261 PolarHBondContact O-N 2.91Š|
| 262 | M | 53.4 | Low | 54.3 | Low | 104 Ų | 104 | 121.2 Ų | 121.2 | 51% | 0.512 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -75.4 | 126.9 | 166.5 | -58.4 | -169.4 | 84.2 | 0 | 0 | 106.6 | V259 N264 | V259-M262 HydrophobicContact CG1-CB 3.73Å; V259-M262 HydrophobicContact CG1-CG 3.88Å; V259-M262 HydrophobicContact CG1-SD 3.73Å; V259-M262 WeakPolarHBondContact O-CB 3.48Å; V259-M262 PolarHBondContact O-N 3.34Å; M262-N264 PolarHBondContact O-N 2.74Å |
| 263 | Q | 44.9 | Very low | 53.3 | Low | 199 Ų | 199 | 117.7 Ų | 117.7 | 93% | 0.93 | 68% | 0.675 | S | S | * | * | trans | -56.9 | 106 | 179.7 | -72.4 | 177.1 | -23.7 | 0 | 0 | 109.1 | S265 | Q263-S265 PolarHBondContact O-N 3.47Š| ||
| 264 | N | 44.3 | Very low | 52.2 | Low | 142 Ų | 142 | 120.4 Ų | 120.4 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | trans | -64.3 | 108 | 164.7 | -89.8 | -16.1 | 0 | 0 | 0 | 106.4 | M262 S266 | M262-N264 PolarHBondContact O-N 2.74Å; N264-S266 PolarHBondContact O-N 3.29Å | ||
| 265 | S | 46 | Very low | 51.7 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | trans | -61.8 | 98.2 | 158.7 | 61.2 | 0 | 0 | 0 | 0 | 105.9 | Q263 V267 | Q263-S265 PolarHBondContact O-N 3.47Å; S265-V267 PolarHBondContact O-N 3.21Å | ||
| 266 | S | 42.8 | Very low | 51.3 | Low | 82 Ų | 82 | 123.3 Ų | 123.3 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | trans | -49.7 | 129 | -173.5 | 49 | 0 | 0 | 0 | 0 | 111.3 | N264 G268 A269 | N264-S266 PolarHBondContact O-N 3.29Å; S266-G268 PolarHBondContact O-N 3.5Å; S266-A269 PolarHBondContact O-N 3.16Å | ||
| 267 | V | 46.6 | Very low | 51 | Low | 157 Ų | 157 | 120.7 Ų | 120.7 | 95% | 0.952 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.4 | 106.8 | 153.4 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | S265 | S265-V267 PolarHBondContact O-N 3.21Š|
| 268 | G | 45.2 | Very low | 51.1 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.5 | -7.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | S266 N270 | S266-G268 PolarHBondContact O-N 3.5Å; G268-N270 PolarHBondContact O-N 3.18Å |
| 269 | A | 41.7 | Very low | 51.8 | Low | 57 Ų | 57 | 121 Ų | 121 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | trans | -74.4 | 117.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S266 V271 | S266-A269 PolarHBondContact O-N 3.16Å; A269-V271 HydrophobicContact CB-CG2 3.95Å; A269-V271 WeakPolarHBondContact O-CG2 3.28Å; A269-V271 PolarHBondContact O-N 3.44Å | ||
| 270 | N | 45.9 | Very low | 52.6 | Low | 150 Ų | 150 | 122.2 Ų | 122.2 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | trans | -62.1 | 86.8 | 160.8 | -83.9 | -31.4 | 0 | 0 | 0 | 107 | G268 Y272 | G268-N270 PolarHBondContact O-N 3.18Å; N270-Y272 PolarHBondContact O-N 3.03Å | ||
| 271 | V | 47.5 | Very low | 53.8 | Low | 52 Ų | 52 | 121.3 Ų | 121.3 | 32% | 0.315 | 64% | 0.643 | S | S | . | * | trans | -74.9 | 95.6 | -176.2 | -171.4 | 0 | 0 | 0 | 0 | 106.9 | A269 F273 Q298 | A269-V271 HydrophobicContact CB-CG2 3.95Å; A269-V271 WeakPolarHBondContact O-CG2 3.28Å; A269-V271 PolarHBondContact O-N 3.44Å; V271-F273 PolarHBondContact O-N 2.97Å; V271-Q298 PolarHBondContact O-NE2 3.01Å | ||
| 272 | Y | 49.3 | Very low | 55 | Low | 206 Ų | 206 | 114.3 Ų | 114.3 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | trans | -53.9 | 124.8 | 162.1 | -76 | -90.8 | 0 | 0 | 0 | 107.8 | N270 D274 | N270-Y272 PolarHBondContact O-N 3.03Å; Y272-D274 VanDerWaalsContact C-N 3.3Å; Y272-D274 PolarHBondContact O-N 2.95Å | ||
| 273 | F | 54.6 | Low | 56.2 | Low | 92 Ų | 92 | 109.5 Ų | 109.5 | 40% | 0.404 | 60% | 0.6 | S | S | . | * | trans | -68.9 | 94.4 | 168.4 | -83.3 | -83.4 | 0 | 0 | 0 | 107 | V271 E275 Q298 | V271-F273 PolarHBondContact O-N 2.97Å; F273-E275 PolarHBondContact O-N 2.96Å; F273-Q298 HydrophobicContact CE2-CB 3.94Å; F273-Q298 HydrophobicContact CE2-CG 3.51Å; F273-Q298 HydrophobicContact CZ-CB 4.29Å; F273-Q298 HydrophobicContact CZ-CG 4.02Å | ||
| 274 | D | 52.6 | Low | 57.9 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | trans | -75.3 | 120 | 168.3 | -168.4 | 12.8 | 0 | 0 | 0 | 107.7 | Y272 G276 L277 | Y272-D274 VanDerWaalsContact C-N 3.3Å; Y272-D274 PolarHBondContact O-N 2.95Å; D274-G276 PolarHBondContact O-N 3.03Å; D274-L277 PolarHBondContact O-N 3.07Å | ||
| 275 | E | 56.5 | Low | 59.5 | Low | 203 Ų | 203 | 100.1 Ų | 100.1 | 95% | 0.949 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -7.2 | -169 | -70.1 | -165 | 154.8 | 0 | 0 | 114 | F273 | F273-E275 PolarHBondContact O-N 2.96Š|
| 276 | G | 57.7 | Low | 60.9 | Low | 68 Ų | 68 | 100.6 Ų | 100.6 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -15.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D274 | D274-G276 PolarHBondContact O-N 3.03Š|
| 277 | L | 57 | Low | 62.2 | Low | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | trans | -102.7 | 106.3 | -170.1 | -143.5 | 87.3 | 0 | 0 | 0 | 112.4 | D274 R279 | D274-L277 PolarHBondContact O-N 3.07Å; L277-R279 PolarHBondContact O-N 3.19Å; L277-R279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | L | 68.6 | Low | 63.3 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | trans | -69.2 | 109 | 173.5 | -61.4 | 174.2 | 0 | 0 | 0 | 110.1 | Y280 | L278-Y280 HydrophobicContact CB-CE2 4Š| ||
| 279 | R | 69.6 | Low | 64.7 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | trans | -100 | 140.1 | 176.2 | -63.3 | -178.4 | -177.2 | 132.7 | -3.4 | 110.5 | L277 Q294 V295 | L277-R279 PolarHBondContact O-N 3.19Å; L277-R279 VanDerWaalsContact O-N 3.16Å; R279-Q294 WeakPolarHBondContact O-CA 3.33Å; R279-V295 HydrophobicContact CB-CB 4.37Å; R279-V295 PolarHBondContact O-N 3.19Å | ||
| 280 | Y | 77.2 | Confident | 66.4 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.6 | 177.5 | -64.8 | -91.9 | 0 | 0 | 0 | 110.9 | L278 R292 V293 Q294 | L278-Y280 HydrophobicContact CB-CE2 4Å; Y280-R292 HydrophobicContact CD1-CB 4.34Å; Y280-R292 HydrophobicContact CD1-CG 4.19Å; Y280-V293 CarbonylContact C-O 3.57Å; Y280-V293 VanDerWaalsContact CA-O 3.23Å; Y280-V293 WeakPolarHBondContact CA-O 3.49Å; Y280-Q294 HydrophobicContact CD1-CB 3.97Å; Y280-Q294 HydrophobicContact CE1-CB 3.7Å; Y280-Q294 HydrophobicContact CE1-CG 4.15Å |
| 281 | K | 76.3 | Confident | 68 | Low | 88 Ų | 88 | 91.6 Ų | 91.6 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 140.6 | 165 | -81.2 | 177.8 | 179.2 | -167.7 | 0 | 109.5 | R292 V293 V295 M300 | K281-R292 CarbonylContact O-C 3.45Å; K281-R292 VanDerWaalsContact O-CA 3.3Å; K281-R292 WeakPolarHBondContact O-CA 3.48Å; K281-V293 PolarHBondContact N-O 3.25Å; K281-V293 PolarHBondContact O-N 3.24Å; K281-V295 HydrophobicContact CB-CG2 4.24Å; K281-V295 HydrophobicContact CD-CG2 3.94Å; K281-V295 HydrophobicContact CG-CG2 3.59Å; K281-M300 PolarHBondContact NZ-O 3.28Å |
| 282 | L | 77.1 | Confident | 69.5 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.6 | 168.3 | -172.8 | 66.7 | 0 | 0 | 0 | 108.3 | L290 | L282-L290 HydrophobicContact CD1-CB 4.3Å; L282-L290 HydrophobicContact CD2-CD2 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.31Å |
| 283 | C | 79.4 | Confident | 71.1 | Confident | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.02 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.9 | -176.9 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | L290 F291 V293 C302 | C283-L290 CarbonylContact O-C 3.57Å; C283-L290 WeakPolarHBondContact O-CA 3.32Å; C283-F291 HydrophobicContact CB-CD1 3.86Å; C283-F291 HydrophobicContact CB-CD2 3.97Å; C283-F291 HydrophobicContact CB-CE1 3.42Å; C283-F291 VanDerWaalsContact CB-CE1 3.42Å; C283-F291 HydrophobicContact CB-CE2 3.57Å; C283-F291 HydrophobicContact CB-CG 4.13Å; C283-F291 HydrophobicContact CB-CZ 3.29Å; C283-F291 PolarHBondContact N-O 3.36Å; C283-F291 WeakPolarHBondContact O-CD1 3.43Å; C283-F291 PolarHBondContact O-N 3.41Å; C283-V293 HydrophobicContact CB-CG2 4.41Å; C283-C302 HydrophobicContact CB-CB 3.57Å; C283-C302 WeakPolarHBondContact CB-SG 3.45Å; C283-C302 WeakPolarHBondContact SG-CA 3.37Å; C283-C302 WeakPolarHBondContact SG-CB 3.5Å; C283-C302 CovalentContact SG-SG 2.02Å; C283-C302 PolarHBondContact SG-SG 2.71Å |
| 284 | M | 81 | Confident | 72.3 | Confident | 136 Ų | 136 | 86.9 Ų | 86.9 | 67% | 0.67 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.7 | -179.2 | -167.6 | 170.6 | 65.2 | 0 | 0 | 109 | T289 L290 | M284-T289 CarbonylContact C-O 3.58Å; M284-T289 WeakPolarHBondContact CA-O 3.26Å; M284-L290 HydrophobicContact CB-CD2 3.72Å; M284-L290 HydrophobicContact CG-CD2 3.75Å; M284-L290 HydrophobicContact SD-CD2 4.09Å |
| 285 | C | 77.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 5% | 0.047 | 45% | 0.445 | C | S | . | . | trans | -73.9 | 163.4 | 172.3 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | D287 G288 T289 F291 C309 | C285-D287 WeakPolarHBondContact CB-OD1 3.34Å; C285-D287 PolarHBondContact O-N 3.45Å; C285-G288 PolarHBondContact O-N 3.43Å; C285-T289 WeakPolarHBondContact CB-O 3.36Å; C285-T289 PolarHBondContact N-O 3.03Å; C285-F291 VanDerWaalsContact SG-CE1 3.53Å; C285-C309 VanDerWaalsContact CA-SG 3.51Å; C285-C309 HydrophobicContact CB-CB 3.58Å; C285-C309 WeakPolarHBondContact CB-SG 3.45Å; C285-C309 WeakPolarHBondContact SG-CA 3.23Å; C285-C309 WeakPolarHBondContact SG-CB 3.39Å; C285-C309 CovalentContact SG-SG 2.02Å; C285-C309 PolarHBondContact SG-SG 2.99Å | ||
| 286 | A | 74.1 | Confident | 74.6 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 98% | 0.983 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | G288 | A286-G288 VanDerWaalsContact C-N 3.27Š|
| 287 | D | 71.9 | Confident | 75.5 | Confident | 111 Ų | 111 | 83.2 Ų | 83.2 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.7 | 173.9 | 67.5 | -14.3 | 0 | 0 | 0 | 113.4 | C285 T289 | C285-D287 WeakPolarHBondContact CB-OD1 3.34Å; C285-D287 PolarHBondContact O-N 3.45Å; D287-T289 VanDerWaalsContact CG-OG1 3.25Å; D287-T289 VanDerWaalsContact OD1-CB 3.3Å; D287-T289 WeakPolarHBondContact OD1-CB 3.26Å; D287-T289 PolarHBondContact OD1-N 3.3Å; D287-T289 PolarHBondContact OD1-OG1 3.31Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å |
| 288 | G | 68.3 | Low | 76 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 89.2 | 1.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | C285 A286 L290 | C285-G288 PolarHBondContact O-N 3.43Å; A286-G288 VanDerWaalsContact C-N 3.27Å; G288-L290 PolarHBondContact O-N 3.17Å |
| 289 | T | 74.7 | Confident | 76.2 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | trans | -66.6 | 125.7 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | M284 C285 D287 | M284-T289 CarbonylContact C-O 3.58Å; M284-T289 WeakPolarHBondContact CA-O 3.26Å; C285-T289 WeakPolarHBondContact CB-O 3.36Å; C285-T289 PolarHBondContact N-O 3.03Å; D287-T289 VanDerWaalsContact CG-OG1 3.25Å; D287-T289 VanDerWaalsContact OD1-CB 3.3Å; D287-T289 WeakPolarHBondContact OD1-CB 3.26Å; D287-T289 PolarHBondContact OD1-N 3.3Å; D287-T289 PolarHBondContact OD1-OG1 3.31Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å | ||
| 290 | L | 77.3 | Confident | 76.6 | Confident | 92 Ų | 92 | 83 Ų | 83 | 48% | 0.482 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.9 | 178.4 | -68.7 | 172.8 | 0 | 0 | 0 | 111.4 | L282 C283 M284 G288 | L282-L290 HydrophobicContact CD1-CB 4.3Å; L282-L290 HydrophobicContact CD2-CD2 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.31Å; C283-L290 CarbonylContact O-C 3.57Å; C283-L290 WeakPolarHBondContact O-CA 3.32Å; M284-L290 HydrophobicContact CB-CD2 3.72Å; M284-L290 HydrophobicContact CG-CD2 3.75Å; M284-L290 HydrophobicContact SD-CD2 4.09Å; G288-L290 PolarHBondContact O-N 3.17Å |
| 291 | F | 79.6 | Confident | 76.6 | Confident | 25 Ų | 25 | 80.1 Ų | 80.1 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.8 | 176.8 | 67.1 | -80.7 | 0 | 0 | 0 | 112 | C283 C285 V293 C302 T304 P308 C309 | C283-F291 HydrophobicContact CB-CD1 3.86Å; C283-F291 HydrophobicContact CB-CD2 3.97Å; C283-F291 HydrophobicContact CB-CE1 3.42Å; C283-F291 VanDerWaalsContact CB-CE1 3.42Å; C283-F291 HydrophobicContact CB-CE2 3.57Å; C283-F291 HydrophobicContact CB-CG 4.13Å; C283-F291 HydrophobicContact CB-CZ 3.29Å; C283-F291 PolarHBondContact N-O 3.36Å; C283-F291 WeakPolarHBondContact O-CD1 3.43Å; C283-F291 PolarHBondContact O-N 3.41Å; C285-F291 VanDerWaalsContact SG-CE1 3.53Å; F291-V293 HydrophobicContact CD2-CG2 3.7Å; F291-V293 HydrophobicContact CE2-CG2 3.43Å; F291-V293 VanDerWaalsContact CE2-CG2 3.43Å; F291-C302 HydrophobicContact CZ-CB 4.2Å; F291-T304 HydrophobicContact CD2-CG2 4.3Å; F291-T304 HydrophobicContact CE2-CG2 3.91Å; F291-P308 HydrophobicContact CB-CB 4.31Å; F291-P308 HydrophobicContact CB-CG 3.64Å; F291-P308 HydrophobicContact CD1-CG 3.62Å; F291-P308 HydrophobicContact CD2-CG 3.48Å; F291-P308 VanDerWaalsContact CD2-CG 3.48Å; F291-P308 HydrophobicContact CE1-CG 4.05Å; F291-P308 HydrophobicContact CE2-CG 3.9Å; F291-P308 HydrophobicContact CG-CB 4.41Å; F291-P308 HydrophobicContact CG-CG 3.3Å; F291-P308 HydrophobicContact CZ-CG 4.16Å; F291-C309 WeakPolarHBondContact CE1-SG 3.46Å |
| 292 | R | 79.3 | Confident | 76.7 | Confident | 170 Ų | 170 | 79 Ų | 79 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.1 | 179.2 | 68.8 | 177.7 | -178.5 | 142.4 | -1.9 | 112 | Y280 K281 | Y280-R292 HydrophobicContact CD1-CB 4.34Å; Y280-R292 HydrophobicContact CD1-CG 4.19Å; K281-R292 CarbonylContact O-C 3.45Å; K281-R292 VanDerWaalsContact O-CA 3.3Å; K281-R292 WeakPolarHBondContact O-CA 3.48Å |
| 293 | V | 82.5 | Confident | 76.7 | Confident | 7 Ų | 7 | 82.4 Ų | 82.4 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.7 | 177.6 | -175 | 0 | 0 | 0 | 0 | 109.6 | Y280 K281 C283 F291 V295 M300 T304 | Y280-V293 CarbonylContact C-O 3.57Å; Y280-V293 VanDerWaalsContact CA-O 3.23Å; Y280-V293 WeakPolarHBondContact CA-O 3.49Å; K281-V293 PolarHBondContact N-O 3.25Å; K281-V293 PolarHBondContact O-N 3.24Å; C283-V293 HydrophobicContact CB-CG2 4.41Å; F291-V293 HydrophobicContact CD2-CG2 3.7Å; F291-V293 HydrophobicContact CE2-CG2 3.43Å; F291-V293 VanDerWaalsContact CE2-CG2 3.43Å; V293-V295 PolarHBondContact O-N 3.32Å; V293-M300 HydrophobicContact CG1-CE 4.21Å; V293-T304 HydrophobicContact CB-CG2 4.19Å; V293-T304 HydrophobicContact CG1-CG2 3.91Å; V293-T304 HydrophobicContact CG2-CG2 3.38Å |
| 294 | Q | 80.3 | Confident | 76.6 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.3 | 175 | -172.2 | -173.6 | -10.9 | 0 | 0 | 110 | R279 Y280 K296 M300 | R279-Q294 WeakPolarHBondContact O-CA 3.33Å; Y280-Q294 HydrophobicContact CD1-CB 3.97Å; Y280-Q294 HydrophobicContact CE1-CB 3.7Å; Y280-Q294 HydrophobicContact CE1-CG 4.15Å; Q294-K296 PolarHBondContact O-N 3.17Å; Q294-M300 VanDerWaalsContact O-SD 3.35Å |
| 295 | V | 80.2 | Confident | 76.1 | Confident | 28 Ų | 28 | 84.6 Ų | 84.6 | 17% | 0.17 | 47% | 0.466 | C | S | . | . | trans | -81.7 | 108.9 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | R279 K281 V293 Y297 M300 | R279-V295 HydrophobicContact CB-CB 4.37Å; R279-V295 PolarHBondContact O-N 3.19Å; K281-V295 HydrophobicContact CB-CG2 4.24Å; K281-V295 HydrophobicContact CD-CG2 3.94Å; K281-V295 HydrophobicContact CG-CG2 3.59Å; V293-V295 PolarHBondContact O-N 3.32Å; V295-Y297 WeakPolarHBondContact CG1-O 3.49Å; V295-M300 HydrophobicContact CG1-CB 4.45Å | ||
| 296 | K | 77.9 | Confident | 76.1 | Confident | 149 Ų | 149 | 91 Ų | 91 | 65% | 0.648 | 50% | 0.501 | S | S | * | . | trans | -94.3 | -24.7 | 178.4 | -64.5 | -175.5 | 179.9 | -178.6 | 0 | 113.7 | Q294 M300 | Q294-K296 PolarHBondContact O-N 3.17Å; K296-M300 HydrophobicContact CB-SD 4.37Å | ||
| 297 | Y | 75.1 | Confident | 76.1 | Confident | 130 Ų | 130 | 89.8 Ų | 89.8 | 51% | 0.51 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -150.1 | 162.9 | -177.6 | 54.9 | -91 | 0 | 0 | 0 | 111.2 | V295 M300 | V295-Y297 WeakPolarHBondContact CG1-O 3.49Å; Y297-M300 HydrophobicContact CD1-SD 4.34Å; Y297-M300 HydrophobicContact CD2-CB 4.09Å; Y297-M300 HydrophobicContact CE1-CB 4.41Å; Y297-M300 HydrophobicContact CE1-CE 4.22Å; Y297-M300 HydrophobicContact CE1-CG 4.1Å; Y297-M300 HydrophobicContact CE1-SD 3.92Å; Y297-M300 HydrophobicContact CE2-CB 3.78Å; Y297-M300 HydrophobicContact CE2-CG 4.12Å; Y297-M300 WeakPolarHBondContact O-CB 3.25Å; Y297-M300 PolarHBondContact O-N 3.02Å |
| 298 | Q | 67.7 | Low | 76.2 | Confident | 120 Ų | 120 | 87.4 Ų | 87.4 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 142.4 | -178.7 | -102.5 | 160 | 29.5 | 0 | 0 | 109.9 | V271 F273 M300 | V271-Q298 PolarHBondContact O-NE2 3.01Å; F273-Q298 HydrophobicContact CE2-CB 3.94Å; F273-Q298 HydrophobicContact CE2-CG 3.51Å; F273-Q298 HydrophobicContact CZ-CB 4.29Å; F273-Q298 HydrophobicContact CZ-CG 4.02Å; Q298-M300 VanDerWaalsContact C-N 3.26Å; Q298-M300 PolarHBondContact O-N 3.05Å |
| 299 | N | 72.9 | Confident | 76.5 | Confident | 158 Ų | 158 | 87.5 Ų | 87.5 | 85% | 0.845 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 16.4 | -178 | -56.6 | -28.6 | 0 | 0 | 0 | 116.5 | G301 | N299-G301 PolarHBondContact O-N 3.3Š|
| 300 | M | 77.9 | Confident | 76 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 12% | 0.123 | 46% | 0.464 | C | S | . | . | trans | -60 | 125.5 | 171.8 | -171 | 173.4 | -168.5 | 0 | 0 | 111.4 | K281 V293 Q294 V295 K296 Y297 Q298 | K281-M300 PolarHBondContact NZ-O 3.28Å; V293-M300 HydrophobicContact CG1-CE 4.21Å; Q294-M300 VanDerWaalsContact O-SD 3.35Å; V295-M300 HydrophobicContact CG1-CB 4.45Å; K296-M300 HydrophobicContact CB-SD 4.37Å; Y297-M300 HydrophobicContact CD1-SD 4.34Å; Y297-M300 HydrophobicContact CD2-CB 4.09Å; Y297-M300 HydrophobicContact CE1-CB 4.41Å; Y297-M300 HydrophobicContact CE1-CE 4.22Å; Y297-M300 HydrophobicContact CE1-CG 4.1Å; Y297-M300 HydrophobicContact CE1-SD 3.92Å; Y297-M300 HydrophobicContact CE2-CB 3.78Å; Y297-M300 HydrophobicContact CE2-CG 4.12Å; Y297-M300 WeakPolarHBondContact O-CB 3.25Å; Y297-M300 PolarHBondContact O-N 3.02Å; Q298-M300 VanDerWaalsContact C-N 3.26Å; Q298-M300 PolarHBondContact O-N 3.05Å | ||
| 301 | G | 77.3 | Confident | 75 | Confident | 40 Ų | 40 | 88.7 Ų | 88.7 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | trans | -78.9 | -167.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N299 Q303 | N299-G301 PolarHBondContact O-N 3.3Å; G301-Q303 PolarHBondContact O-N 3.32Å | ||
| 302 | C | 79.3 | Confident | 73.5 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -82.8 | 19.1 | 176.9 | -72.9 | 0 | 0 | 0 | 0 | 114.1 | C283 F291 | C283-C302 HydrophobicContact CB-CB 3.57Å; C283-C302 WeakPolarHBondContact CB-SG 3.45Å; C283-C302 WeakPolarHBondContact SG-CA 3.37Å; C283-C302 WeakPolarHBondContact SG-CB 3.5Å; C283-C302 CovalentContact SG-SG 2.02Å; C283-C302 PolarHBondContact SG-SG 2.71Å; F291-C302 HydrophobicContact CZ-CB 4.2Å |
| 303 | Q | 77.3 | Confident | 71.6 | Confident | 170 Ų | 170 | 96.6 Ų | 96.6 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | trans | -81.2 | 124.7 | -179.1 | -69 | 178.6 | -9.2 | 0 | 0 | 110.3 | G301 | G301-Q303 PolarHBondContact O-N 3.32Š| ||
| 304 | T | 76 | Confident | 71.1 | Confident | 48 Ų | 48 | 101.1 Ų | 101.1 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | trans | -122.1 | 152.8 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | F291 V293 D306 P308 | F291-T304 HydrophobicContact CD2-CG2 4.3Å; F291-T304 HydrophobicContact CE2-CG2 3.91Å; V293-T304 HydrophobicContact CB-CG2 4.19Å; V293-T304 HydrophobicContact CG1-CG2 3.91Å; V293-T304 HydrophobicContact CG2-CG2 3.38Å; T304-D306 VanDerWaalsContact C-N 3.33Å; T304-D306 WeakPolarHBondContact CB-O 3.23Å; T304-D306 PolarHBondContact OG1-O 3.4Å; T304-P308 WeakPolarHBondContact OG1-CD 3.47Å | ||
| 305 | S | 72.1 | Confident | 70.6 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 95% | 0.951 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -66 | -37.1 | 176.3 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 306 | D | 75.7 | Confident | 70.1 | Confident | 143 Ų | 143 | 106.6 Ų | 106.6 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -98.8 | 105.1 | 165.9 | -103.1 | -34.5 | 0 | 0 | 0 | 107.5 | T304 P308 | T304-D306 VanDerWaalsContact C-N 3.33Å; T304-D306 WeakPolarHBondContact CB-O 3.23Å; T304-D306 PolarHBondContact OG1-O 3.4Å; D306-P308 WeakPolarHBondContact O-CD 3.48Å |
| 307 | N | 75.5 | Confident | 69.6 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | trans | -78.4 | 106.6 | 179.4 | -179.6 | 14.7 | 0 | 0 | 0 | 109.9 | C309 G310 | N307-C309 PolarHBondContact O-N 3.4Å; N307-C309 VanDerWaalsContact OD1-CB 3.23Å; N307-C309 WeakPolarHBondContact OD1-CB 3.37Å; N307-C309 PolarHBondContact OD1-N 3.49Å; N307-G310 PolarHBondContact ND2-O 3.33Å; N307-G310 PolarHBondContact O-N 3.15Å | ||
| 308 | P | 73.9 | Confident | 69.3 | Low | 61 Ų | 61 | 102.4 Ų | 102.4 | 40% | 0.396 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.2 | 179.8 | 31.5 | -33.8 | 0 | 0 | 0 | 112.6 | F291 T304 D306 G310 | F291-P308 HydrophobicContact CB-CB 4.31Å; F291-P308 HydrophobicContact CB-CG 3.64Å; F291-P308 HydrophobicContact CD1-CG 3.62Å; F291-P308 HydrophobicContact CD2-CG 3.48Å; F291-P308 VanDerWaalsContact CD2-CG 3.48Å; F291-P308 HydrophobicContact CE1-CG 4.05Å; F291-P308 HydrophobicContact CE2-CG 3.9Å; F291-P308 HydrophobicContact CG-CB 4.41Å; F291-P308 HydrophobicContact CG-CG 3.3Å; F291-P308 HydrophobicContact CZ-CG 4.16Å; T304-P308 WeakPolarHBondContact OG1-CD 3.47Å; D306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-G310 PolarHBondContact O-N 3.44Å |
| 309 | C | 73.3 | Confident | 69.4 | Low | 46 Ų | 46 | 101.3 Ų | 101.3 | 31% | 0.311 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | 3.4 | 179.3 | -51.6 | 0 | 0 | 0 | 0 | 114 | C285 F291 N307 | C285-C309 VanDerWaalsContact CA-SG 3.51Å; C285-C309 HydrophobicContact CB-CB 3.58Å; C285-C309 WeakPolarHBondContact CB-SG 3.45Å; C285-C309 WeakPolarHBondContact SG-CA 3.23Å; C285-C309 WeakPolarHBondContact SG-CB 3.39Å; C285-C309 CovalentContact SG-SG 2.02Å; C285-C309 PolarHBondContact SG-SG 2.99Å; F291-C309 WeakPolarHBondContact CE1-SG 3.46Å; N307-C309 PolarHBondContact O-N 3.4Å; N307-C309 VanDerWaalsContact OD1-CB 3.23Å; N307-C309 WeakPolarHBondContact OD1-CB 3.37Å; N307-C309 PolarHBondContact OD1-N 3.49Å |
| 310 | G | 65.8 | Low | 69.1 | Low | 41 Ų | 41 | 97.2 Ų | 97.2 | 42% | 0.423 | 59% | 0.589 | S | S | . | * | trans | 68.6 | 164 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N307 P308 A312 | N307-G310 PolarHBondContact ND2-O 3.33Å; N307-G310 PolarHBondContact O-N 3.15Å; P308-G310 PolarHBondContact O-N 3.44Å; G310-A312 PolarHBondContact O-N 3.06Å | ||
| 311 | T | 55.5 | Low | 68.4 | Low | 136 Ų | 136 | 102.8 Ų | 102.8 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | trans | -65.8 | 117.2 | 167.1 | 41.4 | 0 | 0 | 0 | 0 | 108.3 | H313 | T311-H313 PolarHBondContact O-N 3.1Š| ||
| 312 | A | 47.9 | Very low | 67.7 | Low | 99 Ų | 99 | 108 Ų | 108 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -52.2 | 127.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G310 | G310-A312 PolarHBondContact O-N 3.06Š| ||
| 313 | H | 40 | Very low | 66.6 | Low | 261 Ų | 261 | 112.1 Ų | 112.1 | 100% | 1.208 | 66% | 0.662 | S | S | * | * | trans | -69.9 | 0 | 165.5 | -90.6 | -64.6 | 0 | 0 | 0 | 110.6 | T311 | T311-H313 PolarHBondContact O-N 3.1Š|
Retrieved 313 of 313 residues in 1354.2 ms
(Link to these results)