| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 52.8 | Low | 235 Ų | 235 | 140.8 Ų | 140.8 | 100% | 1.158 | 77% | 0.772 | S | S | * | * | 0 | 147.8 | 0 | -75.8 | 55.4 | 177 | 0 | 0 | 107.3 | |||||
| 2 | G | 47 | Very low | 53.6 | Low | 53 Ų | 53 | 140.3 Ų | 140.3 | 55% | 0.546 | 78% | 0.776 | S | S | . | * | trans | -127.2 | 129.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | H4 | G2-H4 PolarHBondContact O-CD2 3.26Å; G2-H4 VanDerWaalsContact O-CD2 3.26Å; G2-H4 PolarHBondContact O-N 2.73Å | ||
| 3 | E | 52.5 | Low | 54.2 | Low | 165 Ų | 165 | 131.4 Ų | 131.4 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | -74.9 | 111 | -176.1 | -60.6 | -58.2 | 119.2 | 0 | 0 | 110.8 | N5 | E3-N5 PolarHBondContact O-N 2.91Å; E3-N5 PolarHBondContact O-ND2 3.26Å | ||
| 4 | H | 53.8 | Low | 54.9 | Low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -85.6 | 108 | 179.5 | -75.7 | -84.6 | 0 | 0 | 0 | 111.1 | G2 L6 | G2-H4 PolarHBondContact O-CD2 3.26Å; G2-H4 VanDerWaalsContact O-CD2 3.26Å; G2-H4 PolarHBondContact O-N 2.73Å; H4-L6 PolarHBondContact O-N 2.75Å | ||
| 5 | N | 53.6 | Low | 55 | Low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -71.2 | 118.8 | -176.3 | -81.1 | -101.1 | 0 | 0 | 0 | 111.8 | E3 L7 | E3-N5 PolarHBondContact O-N 2.91Å; E3-N5 PolarHBondContact O-ND2 3.26Å; N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.32Å | ||
| 6 | L | 56.6 | Low | 55.1 | Low | 156 Ų | 156 | 132.1 Ų | 132.1 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -83.9 | 5.5 | -173.2 | -65 | 173.7 | 0 | 0 | 0 | 115.2 | H4 N8 | H4-L6 PolarHBondContact O-N 2.75Å; L6-N8 PolarHBondContact O-N 3.23Å | ||
| 7 | L | 57.7 | Low | 54.6 | Low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -94.9 | 22.1 | -169 | -72.5 | 165.3 | 0 | 0 | 0 | 114.8 | N5 | N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.32Å | ||
| 8 | N | 46.6 | Very low | 54.5 | Low | 106 Ų | 106 | 131.2 Ų | 131.2 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | trans | -101.5 | 112.5 | 175.8 | -171.9 | -25.6 | 0 | 0 | 0 | 110.9 | L6 G10 F11 | L6-N8 PolarHBondContact O-N 3.23Å; N8-G10 PolarHBondContact O-N 3.14Å; N8-G10 PolarHBondContact OD1-N 3.34Å; N8-G10 VanDerWaalsContact OD1-N 3.07Å; N8-F11 PolarHBondContact O-N 3.24Å; N8-F11 VanDerWaalsContact O-N 3.12Å | ||
| 9 | P | 58.3 | Low | 54.2 | Low | 139 Ų | 139 | 133 Ų | 133 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -5 | -175.5 | 28.6 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 10 | G | 56.1 | Low | 53.7 | Low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -3.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N8 V12 | N8-G10 PolarHBondContact O-N 3.14Å; N8-G10 PolarHBondContact OD1-N 3.34Å; N8-G10 VanDerWaalsContact OD1-N 3.07Å; G10-V12 PolarHBondContact O-N 3.03Å |
| 11 | F | 59.2 | Low | 53.4 | Low | 151 Ų | 151 | 128.9 Ų | 128.9 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | trans | -84.2 | 95.3 | -171.2 | -171.7 | -101 | 0 | 0 | 0 | 113.5 | N8 G13 | N8-F11 PolarHBondContact O-N 3.24Å; N8-F11 VanDerWaalsContact O-N 3.12Å; F11-G13 PolarHBondContact O-N 3.44Å | ||
| 12 | V | 62.3 | Low | 53.5 | Low | 134 Ų | 134 | 123.5 Ų | 123.5 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | trans | -85.7 | 93.5 | 166.6 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | G10 | G10-V12 PolarHBondContact O-N 3.03Š| ||
| 13 | G | 61.3 | Low | 53.4 | Low | 25 Ų | 25 | 126.9 Ų | 126.9 | 26% | 0.258 | 72% | 0.722 | S | S | . | * | trans | -66.3 | 156.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F11 L15 | F11-G13 PolarHBondContact O-N 3.44Å; G13-L15 PolarHBondContact O-N 2.87Å | ||
| 14 | P | 64.1 | Low | 53.1 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -66.6 | 99.7 | -179 | -20.8 | 33.8 | 0 | 0 | 0 | 113 | V16 | P14-V16 PolarHBondContact O-N 2.87Š| ||
| 15 | L | 56.7 | Low | 53 | Low | 171 Ų | 171 | 127.2 Ų | 127.2 | 90% | 0.895 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -74.8 | 42.2 | 178.4 | -81.4 | 170.4 | 0 | 0 | 0 | 114.3 | G13 | G13-L15 PolarHBondContact O-N 2.87Š|
| 16 | V | 56.6 | Low | 52.7 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | trans | -153.6 | 59.6 | 165.4 | -87 | 0 | 0 | 0 | 0 | 110.4 | P14 I18 | P14-V16 PolarHBondContact O-N 2.87Å; V16-I18 HydrophobicContact CG1-CD1 4.39Å; V16-I18 PolarHBondContact O-N 3.5Å | ||
| 17 | N | 46.7 | Very low | 52.4 | Low | 121 Ų | 121 | 126.4 Ų | 126.4 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | -81.4 | 69.6 | 163.3 | -167.7 | 18.1 | 0 | 0 | 0 | 110.8 | H19 | N17-H19 PolarHBondContact ND2-CD2 3.44Å; N17-H19 PolarHBondContact ND2-NE2 2.96Å; N17-H19 PolarHBondContact O-N 3.2Å; N17-H19 VanDerWaalsContact O-N 3.13Å; N17-H19 PolarHBondContact OD1-CD2 2.87Å; N17-H19 VanDerWaalsContact OD1-CD2 3.32Å; N17-H19 PolarHBondContact OD1-NE2 3.31Å | ||
| 18 | I | 51.3 | Low | 51.9 | Low | 127 Ų | 127 | 125.1 Ų | 125.1 | 65% | 0.651 | 70% | 0.703 | S | S | * | * | trans | -81.6 | 86.6 | 174.1 | -59 | 178.3 | 0 | 0 | 0 | 107.9 | V16 T20 | V16-I18 HydrophobicContact CG1-CD1 4.39Å; V16-I18 PolarHBondContact O-N 3.5Å; I18-T20 VanDerWaalsContact CG2-OG1 3.28Å; I18-T20 WeakPolarHBondContact CG2-OG1 2.99Å; I18-T20 PolarHBondContact O-N 3.12Å | ||
| 19 | H | 49 | Very low | 52.1 | Low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -70.7 | 78.2 | 164.9 | -78.6 | -68.4 | 0 | 0 | 0 | 109.8 | N17 | N17-H19 PolarHBondContact ND2-CD2 3.44Å; N17-H19 PolarHBondContact ND2-NE2 2.96Å; N17-H19 PolarHBondContact O-N 3.2Å; N17-H19 VanDerWaalsContact O-N 3.13Å; N17-H19 PolarHBondContact OD1-CD2 2.87Å; N17-H19 VanDerWaalsContact OD1-CD2 3.32Å; N17-H19 PolarHBondContact OD1-NE2 3.31Å | ||
| 20 | T | 43.9 | Very low | 51.7 | Low | 93 Ų | 93 | 133.4 Ų | 133.4 | 57% | 0.571 | 71% | 0.714 | S | S | * | * | trans | -117.6 | 89.8 | 167.3 | -54.7 | 0 | 0 | 0 | 0 | 108.3 | I18 D22 | I18-T20 VanDerWaalsContact CG2-OG1 3.28Å; I18-T20 WeakPolarHBondContact CG2-OG1 2.99Å; I18-T20 PolarHBondContact O-N 3.12Å; T20-D22 HydrophobicContact CG2-CB 4.28Å; T20-D22 PolarHBondContact O-N 3.4Å | ||
| 21 | G | 48 | Very low | 51.3 | Low | 86 Ų | 86 | 136.1 Ų | 136.1 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | -73.9 | 52.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 22 | D | 41.4 | Very low | 50.9 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -144.4 | 115.4 | 172.2 | -106.6 | -42.6 | 0 | 0 | 0 | 109.4 | T20 F24 | T20-D22 HydrophobicContact CG2-CB 4.28Å; T20-D22 PolarHBondContact O-N 3.4Å; D22-F24 PolarHBondContact O-N 3.01Å; D22-F24 VanDerWaalsContact O-N 3.1Å |
| 23 | T | 46.1 | Very low | 50.3 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | -84.6 | 91.6 | -169.3 | -56 | 0 | 0 | 0 | 0 | 110.4 | Y25 | T23-Y25 HydrophobicContact CG2-CD2 4.15Å; T23-Y25 PolarHBondContact O-N 3.06Å | ||
| 24 | F | 46.7 | Very low | 49.8 | Very low | 176 Ų | 176 | 133 Ų | 133 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 76.7 | 167.4 | -84.3 | -83.5 | 0 | 0 | 0 | 111.2 | D22 F26 | D22-F24 PolarHBondContact O-N 3.01Å; D22-F24 VanDerWaalsContact O-N 3.1Å; F24-F26 PolarHBondContact O-N 3.32Å | ||
| 25 | Y | 50.2 | Low | 48.9 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -76 | 97.4 | -176.4 | -162.3 | -90.5 | 0 | 0 | 0 | 110.7 | T23 P27 | T23-Y25 HydrophobicContact CG2-CD2 4.15Å; T23-Y25 PolarHBondContact O-N 3.06Å; Y25-P27 HydrophobicContact CD1-CB 4.09Å; Y25-P27 HydrophobicContact CD1-CG 4.13Å; Y25-P27 HydrophobicContact CE1-CB 4.17Å; Y25-P27 WeakPolarHBondContact O-CD 3.18Å; Y25-P27 WeakPolarHBondContact O-CG 3.29Å | ||
| 26 | F | 47.1 | Very low | 48.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 104.5 | 169.1 | -72.6 | -83.5 | 0 | 0 | 0 | 109.6 | F24 N28 | F24-F26 PolarHBondContact O-N 3.32Å; F26-N28 VanDerWaalsContact C-N 3.25Å; F26-N28 PolarHBondContact O-N 2.94Å; F26-N28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | P | 52.1 | Low | 48.3 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -1.5 | -160.4 | -14.5 | 30.6 | 0 | 0 | 0 | 115.6 | Y25 | Y25-P27 HydrophobicContact CD1-CB 4.09Å; Y25-P27 HydrophobicContact CD1-CG 4.13Å; Y25-P27 HydrophobicContact CE1-CB 4.17Å; Y25-P27 WeakPolarHBondContact O-CD 3.18Å; Y25-P27 WeakPolarHBondContact O-CG 3.29Å |
| 28 | N | 45.8 | Very low | 48.9 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 14.3 | -152.1 | -73.9 | -42.3 | 0 | 0 | 0 | 116.4 | F26 | F26-N28 VanDerWaalsContact C-N 3.25Å; F26-N28 PolarHBondContact O-N 2.94Å; F26-N28 VanDerWaalsContact O-N 3.08Å |
| 29 | F | 51.4 | Low | 48.9 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -136.5 | 95.5 | 168.8 | -80.3 | -74.5 | 0 | 0 | 0 | 113 | ||||
| 30 | R | 49.7 | Very low | 48.9 | Very low | 206 Ų | 206 | 134.3 Ų | 134.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 128.3 | 158.5 | -173.5 | -178.4 | -76 | -124.8 | 1.2 | 108.1 | S32 | R30-S32 PolarHBondContact O-N 2.62Š| ||
| 31 | A | 48.6 | Very low | 49.3 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 98% | 0.983 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -78.3 | 38.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 32 | S | 49.6 | Very low | 49.3 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 55% | 0.552 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -147.6 | 108.4 | -175.4 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | R30 G34 | R30-S32 PolarHBondContact O-N 2.62Å; S32-G34 PolarHBondContact O-N 2.68Å |
| 33 | G | 50.2 | Low | 49.5 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 100% | 1.031 | 80% | 0.802 | S | S | * | * | trans | -75.6 | 80.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 34 | G | 50.9 | Low | 49.3 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -116.2 | 125.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S32 | S32-G34 PolarHBondContact O-N 2.68Š| ||
| 35 | Q | 45 | Very low | 49.4 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 133.2 | 171.5 | -71.1 | -174.5 | -16 | 0 | 0 | 110.1 | ||
| 36 | L | 46.8 | Very low | 49.1 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 127 | 163.2 | -66.2 | 176.5 | 0 | 0 | 0 | 108.5 | ||
| 37 | A | 52.8 | Low | 49 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -76.2 | 142.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 38 | G | 59.8 | Low | 48.8 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | 132.6 | 5.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 39 | L | 51.7 | Low | 49.2 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -110.3 | 137.1 | 172.5 | -66.9 | 179.5 | 0 | 0 | 0 | 111.7 | ||||
| 40 | P | 50.1 | Low | 49 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -69.7 | 135.9 | -180 | 28.8 | -34.3 | 0 | 0 | 0 | 111.2 | L42 | P40-L42 PolarHBondContact O-N 2.8Š| ||
| 41 | S | 51.6 | Low | 49 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 108 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 42 | L | 48.6 | Very low | 49 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -60 | 127.1 | 163.6 | -75.7 | 170 | 0 | 0 | 0 | 109.4 | P40 Y44 | P40-L42 PolarHBondContact O-N 2.8Å; L42-Y44 VanDerWaalsContact C-N 3.27Å; L42-Y44 HydrophobicContact CB-CD2 4.35Å; L42-Y44 HydrophobicContact CB-CE2 4.42Å; L42-Y44 PolarHBondContact O-N 3.06Å | ||
| 43 | P | 44.4 | Very low | 49.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -77.8 | 74.8 | -174.7 | 32 | -36.1 | 0 | 0 | 0 | 111.4 | P45 | P43-P45 WeakPolarHBondContact O-CD 3.35Š| ||
| 44 | Y | 42.6 | Very low | 49.3 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -67.1 | 124 | 162.9 | -85.5 | -87.1 | 0 | 0 | 0 | 109 | L42 R46 | L42-Y44 VanDerWaalsContact C-N 3.27Å; L42-Y44 HydrophobicContact CB-CD2 4.35Å; L42-Y44 HydrophobicContact CB-CE2 4.42Å; L42-Y44 PolarHBondContact O-N 3.06Å; Y44-R46 PolarHBondContact O-N 2.73Å | ||
| 45 | P | 48.4 | Very low | 49.4 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 114.6 | 174.4 | 26.3 | -32.6 | 0 | 0 | 0 | 108.4 | P43 R47 | P43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-R47 PolarHBondContact O-N 2.83Å | ||
| 46 | R | 44.3 | Very low | 49.5 | Very low | 209 Ų | 209 | 142.9 Ų | 142.9 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | trans | -62 | 100.6 | 174.8 | -177.5 | -175.6 | -81.3 | 146.8 | -8 | 108.1 | Y44 D48 | Y44-R46 PolarHBondContact O-N 2.73Å; R46-D48 VanDerWaalsContact CD-OD1 3.25Å; R46-D48 WeakPolarHBondContact CD-OD1 3.32Å; R46-D48 WeakPolarHBondContact CD-OD2 3.42Å; R46-D48 WeakPolarHBondContact CG-OD1 3.33Å; R46-D48 WeakPolarHBondContact CG-OD2 3.13Å; R46-D48 PolarHBondContact O-N 3.21Å | ||
| 47 | R | 45.4 | Very low | 49.4 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 80.4 | 171.7 | -69.5 | -174.1 | -176.9 | -110.9 | 2.7 | 108.6 | P45 N49 | P45-R47 PolarHBondContact O-N 2.83Å; R47-N49 PolarHBondContact O-N 2.79Å | ||
| 48 | D | 46.9 | Very low | 49.3 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | trans | -64 | 83.1 | 165.6 | -66.6 | -54.4 | 0 | 0 | 0 | 109 | R46 | R46-D48 VanDerWaalsContact CD-OD1 3.25Å; R46-D48 WeakPolarHBondContact CD-OD1 3.32Å; R46-D48 WeakPolarHBondContact CD-OD2 3.42Å; R46-D48 WeakPolarHBondContact CG-OD1 3.33Å; R46-D48 WeakPolarHBondContact CG-OD2 3.13Å; R46-D48 PolarHBondContact O-N 3.21Å | ||
| 49 | N | 53.9 | Low | 49 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 175.2 | 58.5 | 162.9 | -92 | -15.2 | 0 | 0 | 0 | 110.6 | R47 C51 | R47-N49 PolarHBondContact O-N 2.79Å; N49-C51 VanDerWaalsContact C-N 3.26Å; N49-C51 PolarHBondContact O-N 3.3Å | ||
| 50 | V | 47.5 | Very low | 49.1 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -81.3 | 70.4 | 179.3 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | C | 49.9 | Very low | 48.9 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -143 | 26.3 | 170.6 | -95 | 0 | 0 | 0 | 0 | 113.8 | N49 | N49-C51 VanDerWaalsContact C-N 3.26Å; N49-C51 PolarHBondContact O-N 3.3Å | ||
| 52 | S | 49.4 | Very low | 48.7 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -124.1 | 108.2 | 172.5 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | L | 56.5 | Low | 48.7 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -71.4 | 154.1 | 160.5 | -83.7 | 75.6 | 0 | 0 | 0 | 108.9 | W55 N56 | L53-W55 PolarHBondContact O-N 2.9Å; L53-N56 PolarHBondContact O-N 2.82Å | ||
| 54 | P | 48.9 | Very low | 48.3 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 22.1 | -171.5 | 27.7 | -34.4 | 0 | 0 | 0 | 115.6 | ||
| 55 | W | 53 | Low | 48.7 | Very low | 242 Ų | 242 | 143.2 Ų | 143.2 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 6.9 | -175.9 | -74.7 | 55.2 | 0 | 0 | 0 | 112.8 | L53 | L53-W55 PolarHBondContact O-N 2.9Š|
| 56 | N | 48.1 | Very low | 48.2 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -100.1 | 116 | 177.8 | -160.4 | 29.5 | 0 | 0 | 0 | 110.2 | L53 S58 | L53-N56 PolarHBondContact O-N 2.82Å; N56-S58 PolarHBondContact O-N 2.99Å |
| 57 | P | 42.9 | Very low | 48.4 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 121.4 | 175.1 | -19.3 | 32.4 | 0 | 0 | 0 | 110.6 | E59 | P57-E59 PolarHBondContact O-N 3.38Š| ||
| 58 | S | 52.3 | Low | 48.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -92.8 | 74.3 | -176.9 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | N56 | N56-S58 PolarHBondContact O-N 2.99Š| ||
| 59 | E | 52.8 | Low | 48.4 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -93.1 | 123.9 | 164.6 | -77.2 | -170.7 | 114.5 | 0 | 0 | 110.6 | P57 C61 | P57-E59 PolarHBondContact O-N 3.38Å; E59-C61 PolarHBondContact O-N 2.82Å | ||
| 60 | P | 53.7 | Low | 47.7 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 119.4 | 171.6 | 30.7 | -31.1 | 0 | 0 | 0 | 109.9 | N62 | P60-N62 PolarHBondContact O-N 2.93Š| ||
| 61 | C | 45.9 | Very low | 47.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 96.9 | 172.4 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | E59 | E59-C61 PolarHBondContact O-N 2.82Š| ||
| 62 | N | 47.8 | Very low | 47.3 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -122.2 | 132.1 | 160.8 | -102.1 | -32.8 | 0 | 0 | 0 | 108.5 | P60 | P60-N62 PolarHBondContact O-N 2.93Š| ||
| 63 | G | 47.3 | Very low | 47 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 139.7 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 64 | Y | 37.8 | Very low | 46.5 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -126.7 | 146.1 | 149.6 | -100.7 | -91.5 | 0 | 0 | 0 | 108.6 | ||||
| 65 | S | 49.3 | Very low | 46.4 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -75.9 | 134.6 | -175.1 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 66 | Q | 39.5 | Very low | 45.9 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -125.5 | 131.4 | 148.9 | -85.4 | -65.2 | -3.3 | 0 | 0 | 109 | ||||
| 67 | S | 46.8 | Very low | 45.8 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 50% | 0.503 | 79% | 0.794 | S | S | . | * | trans | -86.7 | 178.6 | 173.8 | -64 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 68 | Y | 47.9 | Very low | 45.6 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | 63.9 | 116 | 170.4 | -13.3 | -76.7 | 0 | 0 | 0 | 114.2 | ||||
| 69 | F | 44.8 | Very low | 45.3 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | cis | -135.8 | 143.5 | 12.4 | -90.3 | -104.9 | 0 | 0 | 0 | 111.3 | ||||
| 70 | S | 40.3 | Very low | 44.9 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -97.3 | 124.5 | 165.4 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 71 | S | 37.5 | Very low | 44.3 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -159.2 | 100.4 | 164.1 | -89.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 72 | P | 51 | Low | 44 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 126.4 | 171.6 | 31.3 | -31.3 | 0 | 0 | 0 | 110.4 | ||
| 73 | V | 42.8 | Very low | 43.5 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 122.6 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 110 | ||
| 74 | S | 46.8 | Very low | 43.2 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74 | 154.1 | -174.5 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | N76 | S74-N76 PolarHBondContact O-N 3.05Š|
| 75 | I | 45.9 | Very low | 43.1 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -77 | 104.9 | 172.7 | -60.7 | 169.7 | 0 | 0 | 0 | 109.7 | ||
| 76 | N | 42.1 | Very low | 42.4 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -168.3 | 133.6 | 148.8 | -105.4 | -40.9 | 0 | 0 | 0 | 111.6 | S74 | S74-N76 PolarHBondContact O-N 3.05Š| ||
| 77 | P | 47.3 | Very low | 42.3 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 127.8 | 175.5 | 33.5 | -31.2 | 0 | 0 | 0 | 111.7 | ||||
| 78 | S | 38.3 | Very low | 42.2 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -118.2 | 135.8 | 168.1 | -70.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 79 | F | 45 | Very low | 41.6 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -72.3 | 161.6 | 179.1 | -85.4 | -106.1 | 0 | 0 | 0 | 112.4 | ||||
| 80 | N | 45.9 | Very low | 41.4 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 66.6 | 101.4 | 174.4 | -62.2 | -14.6 | 0 | 0 | 0 | 117.3 | ||||
| 81 | R | 40.9 | Very low | 41.3 | Very low | 246 Ų | 246 | 144.4 Ų | 144.4 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | -154.1 | 143.6 | 126.1 | -105.4 | 159.7 | -140.5 | -83.5 | -2 | 110.1 | |||||
| 82 | S | 39.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 144.3 | -176.3 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | E84 | S82-E84 PolarHBondContact O-N 3.28Š| ||
| 83 | C | 36.6 | Very low | 40.4 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 96.4 | 171.9 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | E | 40.8 | Very low | 40.1 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -88 | 113 | 160.9 | -172.5 | 167.2 | -147.2 | 0 | 0 | 108 | S82 | S82-E84 PolarHBondContact O-N 3.28Š| ||
| 85 | I | 35.4 | Very low | 39.4 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -126.5 | 104.8 | 178.5 | -69.8 | 179.1 | 0 | 0 | 0 | 108.2 | ||||
| 86 | T | 36.1 | Very low | 38.8 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -65.3 | 133.8 | 173.3 | -23.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | R | 36 | Very low | 38.3 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -114.9 | 126.2 | 177.9 | -164.6 | -176.1 | -172.8 | 172.8 | 2.5 | 110.2 | ||||
| 88 | P | 44.9 | Very low | 37.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 136.2 | 162.7 | 31.3 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 89 | E | 35.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 151 Ų | 151 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | trans | -139 | 131.8 | 178.4 | -121.7 | -64.4 | 138.4 | 0 | 0 | 107.6 | G91 | E89-G91 PolarHBondContact O-N 2.84Š| ||
| 90 | E | 41.3 | Very low | 36.9 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -102.5 | 49.9 | -160.4 | -67.1 | -162.4 | -137.8 | 0 | 0 | 113.8 | K92 | E90-K92 PolarHBondContact O-N 3.13Å; E90-K92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | G | 37.6 | Very low | 36.3 | Very low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 100.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E89 C93 | E89-G91 PolarHBondContact O-N 2.84Å; G91-C93 PolarHBondContact O-N 3.35Å | ||
| 92 | K | 38.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -75.7 | 101.5 | 160.1 | -87.2 | 76 | 172.1 | -177.6 | 0 | 109.5 | E90 | E90-K92 PolarHBondContact O-N 3.13Å; E90-K92 VanDerWaalsContact O-N 3.16Å | ||
| 93 | C | 30.9 | Very low | 36 | Very low | 126 Ų | 126 | 142 Ų | 142 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -121.5 | 134.3 | 167.1 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | G91 | G91-C93 PolarHBondContact O-N 3.35Š| ||
| 94 | Y | 37.5 | Very low | 36 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -127.9 | 154.7 | -177.3 | 29.7 | -110.3 | 0 | 0 | 0 | 112.2 | ||||
| 95 | Y | 32.3 | Very low | 35.7 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 89.3 | 115.6 | 178.2 | -73.4 | -80.7 | 0 | 0 | 0 | 120.3 | ||||
| 96 | S | 32.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 90.8 | 138.4 | -60.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 97 | N | 32.5 | Very low | 35.6 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | 40.4 | 117.3 | 106.3 | -153.7 | 35.3 | 0 | 0 | 0 | 117.9 | |||||
| 98 | G | 32.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -120.7 | -168.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 99 | S | 32.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -159 | 161.4 | 172.9 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 100 | A | 34.6 | Very low | 34.5 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -34.6 | 151.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 101 | S | 33.4 | Very low | 34.1 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 173.3 | 165.5 | 72.1 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 102 | N | 36.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 62.9 | 159.1 | 168.4 | -75.3 | -5.8 | 0 | 0 | 0 | 118.8 | ||||
| 103 | R | 36.8 | Very low | 33.8 | Very low | 189 Ų | 189 | 122.9 Ų | 122.9 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | -178.5 | 130.9 | -44.4 | -119.1 | 179.2 | 179.3 | -116.2 | 12.1 | 107 | ||||
| 104 | E | 36.9 | Very low | 34.1 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 62.3 | 154.5 | 158.5 | -65.4 | 156.6 | 77.1 | 0 | 0 | 116.6 | ||||
| 105 | S | 35.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | cis | -152.7 | 168.7 | -16.9 | -110.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 106 | C | 32.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -86.9 | 171.1 | -169.7 | -57.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 107 | S | 36.5 | Very low | 34 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 103.1 | 140.5 | 161.9 | -41.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 108 | G | 31.6 | Very low | 34 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | cis | 149.5 | 83.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 109 | G | 31.8 | Very low | 34.2 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | 73.1 | 166.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 110 | G | 30.3 | Very low | 34.4 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | cis | 165.2 | 130.9 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 111 | G | 31.3 | Very low | 34.6 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 88.8 | 150.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 112 | S | 35 | Very low | 34.7 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | 71 | 152.8 | 161 | 78.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 113 | S | 35.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -168.7 | 157.1 | -29.3 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 114 | L | 37.4 | Very low | 34.9 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 62.5 | 119.3 | 153.6 | -78 | 160.9 | 0 | 0 | 0 | 123 | ||||
| 115 | K | 32.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | 68.9 | 125.3 | 124.8 | -175.1 | 175.5 | 66.7 | 173.5 | 0 | 120.8 | |||||
| 116 | R | 32.1 | Very low | 34.8 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | -172.8 | 139.9 | 109.9 | -167.5 | 139.1 | -150 | -138.5 | -9.1 | 116.5 | |||||
| 117 | E | 35.1 | Very low | 35 | Very low | 116 Ų | 116 | 131 Ų | 131 | 54% | 0.542 | 78% | 0.781 | S | S | . | * | trans | -18.7 | 130.9 | 164.2 | -64.4 | 129 | 71.3 | 0 | 0 | 122.8 | ||||
| 118 | D | 32.8 | Very low | 34.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | 69.1 | 127.7 | 113.1 | -142.8 | -64 | 0 | 0 | 0 | 123.4 | |||||
| 119 | R | 36.5 | Very low | 35.1 | Very low | 234 Ų | 234 | 134 Ų | 134 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -165.6 | 127.7 | 137.1 | -109.9 | 165.9 | -156.4 | 75.1 | -8.5 | 112.1 | ||||
| 120 | A | 37.4 | Very low | 35.1 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -98 | 156.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 121 | R | 38.7 | Very low | 35.6 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -168.4 | 141.5 | 133.7 | -171.1 | 157.5 | -71.5 | 165.9 | -1.7 | 112.1 | ||||
| 122 | D | 34.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -79.3 | 159.1 | -179.5 | -38.7 | -104.5 | 0 | 0 | 0 | 113.6 | ||||
| 123 | T | 40.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | -156 | 137.7 | 148.7 | -65.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 124 | S | 37.6 | Very low | 35.7 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -127.1 | 157.2 | -174.8 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 125 | S | 35.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 159.5 | 177.5 | 82.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 126 | S | 34.1 | Very low | 36 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -144.8 | 157.2 | 9.7 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 127 | I | 37.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -42.9 | 149.5 | 166.8 | 48 | 170.5 | 0 | 0 | 0 | 117.2 | ||||
| 128 | T | 34.9 | Very low | 36.4 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -167.8 | 148.6 | 130.6 | 24.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 129 | S | 35.4 | Very low | 36.7 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -87.6 | 179.5 | 173.3 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 130 | D | 32.3 | Very low | 37 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | cis | -174.3 | -177.4 | -24.1 | 170 | -120.8 | 0 | 0 | 0 | 106.6 | ||||
| 131 | H | 39.2 | Very low | 37.4 | Very low | 165 Ų | 165 | 134 Ų | 134 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 75.6 | 135.2 | -179.1 | -42.7 | -16.6 | 0 | 0 | 0 | 113.4 | ||||
| 132 | G | 32.7 | Very low | 37.5 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | 175.2 | -168.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 133 | M | 35.4 | Very low | 37.4 | Very low | 171 Ų | 171 | 125 Ų | 125 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | cis | -162.1 | 174.7 | -4.7 | -83.1 | -50.9 | -176.1 | 0 | 0 | 109.7 | ||||
| 134 | H | 37.1 | Very low | 37.4 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | trans | 75.1 | 95.3 | 144.1 | -172.7 | -95.8 | 0 | 0 | 0 | 123 | ||||
| 135 | T | 38.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 61.9 | 158.4 | 144.3 | 69.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 136 | G | 36.9 | Very low | 37.7 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 162.1 | 170 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 137 | M | 40.8 | Very low | 37.7 | Very low | 205 Ų | 205 | 126.1 Ų | 126.1 | 100% | 1.01 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 145.9 | 171.4 | -51.9 | 168.7 | 74.4 | 0 | 0 | 116.4 | ||||
| 138 | G | 35.2 | Very low | 37.5 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | cis | -149.1 | 162.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 139 | S | 39.9 | Very low | 37.4 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 58.2 | 132.2 | 80.1 | -65.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 140 | N | 41.9 | Very low | 37.3 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -163.8 | 177 | 5.5 | -112.4 | -6.2 | 0 | 0 | 0 | 113.2 | ||||
| 141 | N | 45.6 | Very low | 37.4 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 75.4 | 152.4 | 164.2 | -70.5 | 2.9 | 0 | 0 | 0 | 117.6 | ||||
| 142 | S | 40.9 | Very low | 37.4 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | cis | -170.9 | 155.9 | -17.7 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 143 | G | 33.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 98.2 | 84.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 144 | A | 41.4 | Very low | 37.6 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | cis | 89 | 102.5 | 34.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 145 | F | 30.7 | Very low | 37.5 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | trans | 171.3 | 101.3 | 134.3 | -162.5 | -112 | 0 | 0 | 0 | 108.3 | ||||
| 146 | S | 48.9 | Very low | 37.4 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | 61 | 133.7 | 98.4 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 147 | K | 34.1 | Very low | 37.2 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 57% | 0.565 | 76% | 0.763 | S | S | * | * | cis | -169.9 | 166.9 | 12.4 | 44.1 | -169.3 | -171.4 | -41.9 | 0 | 106.5 | ||||
| 148 | Y | 33.6 | Very low | 36.9 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | cis | -149.9 | 165.7 | 37.3 | -49.8 | -104 | 0 | 0 | 0 | 110.9 | ||||
| 149 | D | 32.4 | Very low | 37.7 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -148.9 | 177.2 | 172.3 | -148.2 | -58.6 | 0 | 0 | 0 | 110.1 | ||||
| 150 | Y | 33.3 | Very low | 37.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 74 | 150.4 | 173.8 | -97.1 | -114 | 0 | 0 | 0 | 118.9 | ||||
| 151 | G | 33.2 | Very low | 37.1 | Very low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | cis | -158 | 171 | 9.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 152 | T | 39.3 | Very low | 36.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -129.5 | 120 | 170.5 | -65.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 153 | E | 38.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -134.5 | 144.2 | -177 | -66 | -70.5 | 132.4 | 0 | 0 | 109.3 | ||||
| 154 | Q | 34.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -153.8 | 108.5 | -172.9 | 178.2 | -170.8 | 11.6 | 0 | 0 | 111.4 | ||||
| 155 | L | 34.8 | Very low | 37.2 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -164.5 | 131.3 | 154.1 | -134.4 | 67.6 | 0 | 0 | 0 | 115.2 | ||||
| 156 | T | 36.2 | Very low | 37.6 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 28.5 | 121.9 | 148.1 | 56.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 157 | Q | 33.5 | Very low | 37.4 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | -169 | 161 | 95.7 | -100.4 | 179.3 | -4.1 | 0 | 0 | 112.4 | |||||
| 158 | D | 33.8 | Very low | 37.4 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -141.3 | 156.2 | -176.5 | -162.6 | 56.4 | 0 | 0 | 0 | 105.6 | ||||
| 159 | P | 51.8 | Low | 38 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -152.9 | -170.5 | 48.2 | 40.6 | -16.1 | 0 | 0 | 0 | 119.3 | ||||
| 160 | Q | 36.6 | Very low | 38.3 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 90.1 | 132.5 | 169.1 | -54.6 | -174.1 | -87.1 | 0 | 0 | 116.2 | ||||
| 161 | S | 33.8 | Very low | 38.6 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -151.7 | 158.6 | -5 | 53 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 162 | C | 36.9 | Very low | 38.9 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -59.9 | 150.8 | -176.9 | 52.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 163 | L | 40.7 | Very low | 39 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | -141.5 | 133.1 | 119.3 | -81 | -172.1 | 0 | 0 | 0 | 109.8 | |||||
| 164 | S | 40.9 | Very low | 39.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -151.8 | 113 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | L | 44.6 | Very low | 39.4 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -151.2 | 140.7 | 174.8 | -60.2 | 172.3 | 0 | 0 | 0 | 106.4 | ||||
| 166 | E | 37.9 | Very low | 39.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -155 | 167 | -16.8 | -126.6 | 163.6 | 161.7 | 0 | 0 | 107.3 | ||||
| 167 | S | 45.5 | Very low | 39.6 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -103.6 | 122.5 | 178.7 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 168 | D | 33.6 | Very low | 39.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -121.5 | 108.7 | 167.6 | -111.6 | -48.5 | 0 | 0 | 0 | 110.9 | ||||
| 169 | S | 45.9 | Very low | 40.1 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -128.6 | 104.5 | 161.4 | -74.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 170 | N | 40.1 | Very low | 39.8 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -123.5 | 146.1 | -179.1 | -123.2 | -40.4 | 0 | 0 | 0 | 110.2 | ||||
| 171 | S | 39 | Very low | 39.7 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 145.2 | -158.4 | 79.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 172 | S | 40.2 | Very low | 39.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 152.7 | 151.5 | -46.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 173 | L | 41.3 | Very low | 39.9 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | 70.3 | 148.3 | 168.6 | -41.8 | -176.6 | 0 | 0 | 0 | 114.4 | ||||
| 174 | L | 41.8 | Very low | 39.8 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | cis | -124.3 | -175 | 6.2 | -57.5 | 151.6 | 0 | 0 | 0 | 108.6 | ||||
| 175 | N | 38.2 | Very low | 40.3 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -151.8 | 165.8 | 5.6 | -173 | 38.8 | 0 | 0 | 0 | 110.3 | ||||
| 176 | E | 38.4 | Very low | 39.9 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 151.2 | 171.9 | -88.9 | -167.5 | 72.9 | 0 | 0 | 115.3 | ||||
| 177 | G | 36.3 | Very low | 40 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | 61.6 | 118.2 | 127.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 178 | S | 36.4 | Very low | 40.1 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | -172.7 | 144.1 | 126.2 | -83.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 179 | K | 42.6 | Very low | 40.7 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -116.2 | 161.3 | 165 | -114.5 | 178.7 | -179.7 | 177.5 | 0 | 106.5 | ||||
| 180 | P | 45.3 | Very low | 40.5 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | -152 | -177.4 | 53.6 | 41 | -20.1 | 0 | 0 | 0 | 117.2 | |||||
| 181 | S | 33.8 | Very low | 41.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | 61.9 | 153.6 | 159.4 | 47.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 182 | S | 37.5 | Very low | 41 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | -169.7 | 129.9 | -18.4 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 183 | S | 37.4 | Very low | 41 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 172.1 | 134.1 | 144.4 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 184 | D | 38.8 | Very low | 41 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -86.9 | 160.6 | 161.8 | -126.4 | -73.9 | 0 | 0 | 0 | 107.7 | Q186 | D184-Q186 PolarHBondContact OD1-N 3.18Š| ||
| 185 | P | 50.9 | Low | 41.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -147.1 | 138.8 | 69.5 | 35.4 | -14.9 | 0 | 0 | 0 | 117.9 | |||||
| 186 | Q | 37.6 | Very low | 41.6 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 125.6 | 135.7 | -60.4 | -176 | 5.7 | 0 | 0 | 120.6 | D184 | D184-Q186 PolarHBondContact OD1-N 3.18Š| ||
| 187 | T | 40.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | -158.4 | 118.1 | 122.9 | 1.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 188 | L | 46.6 | Very low | 42.4 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | 43.1 | 112.2 | 153 | -56.9 | 177 | 0 | 0 | 0 | 120.5 | ||||
| 189 | V | 47.2 | Very low | 42.4 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -102.2 | 140 | 159.2 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 190 | S | 41.6 | Very low | 42.9 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -169.2 | 160.2 | 153.7 | -88.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 191 | P | 51.5 | Low | 43.3 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -123.7 | 165.2 | -148.9 | 41 | -28.6 | 0 | 0 | 0 | 117 | ||||
| 192 | G | 37 | Very low | 43.7 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 93.3 | 177.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 193 | N | 40.5 | Very low | 44.3 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -158.6 | 164.6 | -0 | -148.2 | -14.3 | 0 | 0 | 0 | 113 | ||||
| 194 | H | 41.8 | Very low | 44.4 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 31.1 | 127.7 | 162.3 | 43.6 | -126.5 | 0 | 0 | 0 | 123.3 | ||||
| 195 | T | 48.8 | Very low | 45 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -47.5 | 127.9 | 155.8 | -47.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 196 | V | 43.4 | Very low | 44.7 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | trans | -108.4 | 115.1 | 167.1 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | S198 | V196-S198 PolarHBondContact O-N 3.47Š| ||
| 197 | H | 49.5 | Very low | 45.7 | Very low | 185 Ų | 185 | 119.1 Ų | 119.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -79 | 93.7 | 163.2 | -86 | 77.1 | 0 | 0 | 0 | 109.3 | ||||
| 198 | S | 42.5 | Very low | 46.6 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -94.8 | 132.5 | 154.1 | -67.2 | 0 | 0 | 0 | 0 | 108 | V196 | V196-S198 PolarHBondContact O-N 3.47Š| ||
| 199 | G | 35.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | 144.2 | 88.6 | 9.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 200 | N | 53 | Low | 47.3 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -70.1 | 162.1 | -179.8 | -108.5 | 7 | 0 | 0 | 0 | 110.8 | ||||
| 201 | I | 54.2 | Low | 48.3 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | 80.2 | 98.9 | 176.1 | -47.5 | 171.2 | 0 | 0 | 0 | 114.7 | ||||
| 202 | T | 41.6 | Very low | 48.7 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | -152.6 | 153.2 | 118 | 8.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 203 | A | 50.6 | Low | 49.8 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | -89.5 | 149.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 204 | G | 40.3 | Very low | 50.7 | Low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -165.5 | 125.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G206 | G204-G206 PolarHBondContact O-N 2.86Š| ||
| 205 | G | 51.1 | Low | 51.9 | Low | 93 Ų | 93 | 129.4 Ų | 129.4 | 96% | 0.959 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 94.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 206 | G | 44.8 | Very low | 53.2 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -87.9 | 125.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | G204 | G204-G206 PolarHBondContact O-N 2.86Š| ||
| 207 | A | 57.4 | Low | 55 | Low | 54 Ų | 54 | 136.5 Ų | 136.5 | 45% | 0.446 | 79% | 0.788 | S | S | . | * | trans | -64.4 | 143.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W209 Y210 | A207-W209 PolarHBondContact O-N 3.31Å; A207-Y210 HydrophobicContact CB-CD2 4.31Å; A207-Y210 PolarHBondContact O-N 3.11Å | ||
| 208 | P | 60.1 | Low | 56.7 | Low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -10.5 | -171.9 | -27 | 35.5 | 0 | 0 | 0 | 117 | ||
| 209 | W | 57.3 | Low | 58.8 | Low | 229 Ų | 229 | 141.4 Ų | 141.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -11.8 | -170.5 | -57.5 | 101.5 | 0 | 0 | 0 | 114.1 | A207 | A207-W209 PolarHBondContact O-N 3.31Š|
| 210 | Y | 51.7 | Low | 61.5 | Low | 183 Ų | 183 | 148.2 Ų | 148.2 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -85.7 | 130.6 | 171.8 | -70.4 | -82.7 | 0 | 0 | 0 | 110.2 | A207 M212 | A207-Y210 HydrophobicContact CB-CD2 4.31Å; A207-Y210 PolarHBondContact O-N 3.11Å; Y210-M212 PolarHBondContact O-N 2.95Å |
| 211 | P | 62.5 | Low | 63.5 | Low | 117 Ų | 117 | 149.4 Ų | 149.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -67.9 | 69.8 | 173.4 | -23.5 | 36.2 | 0 | 0 | 0 | 113.1 | H213 | P211-H213 PolarHBondContact O-N 3.06Š| ||
| 212 | M | 59.4 | Low | 65.4 | Low | 174 Ų | 174 | 147.7 Ų | 147.7 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -73 | 37.2 | 180 | -138.3 | -53.6 | 172.1 | 0 | 0 | 112.9 | Y210 | Y210-M212 PolarHBondContact O-N 2.95Š| ||
| 213 | H | 59.1 | Low | 68.1 | Low | 131 Ų | 131 | 144 Ų | 144 | 61% | 0.606 | 76% | 0.762 | S | S | * | * | trans | -157.5 | 83.1 | 158.7 | -154.8 | 27.5 | 0 | 0 | 0 | 108.2 | P211 R215 | P211-H213 PolarHBondContact O-N 3.06Å; H213-R215 HydrophobicContact CB-CG 4.4Å; H213-R215 WeakPolarHBondContact CD2-CD 3.03Å; H213-R215 WeakPolarHBondContact CD2-CG 3.36Å; H213-R215 VanDerWaalsContact NE2-CG 3.29Å; H213-R215 WeakPolarHBondContact NE2-CG 3.45Å; H213-R215 PolarHBondContact O-N 3.27Å | ||
| 214 | S | 59.9 | Low | 70.4 | Confident | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -68.8 | 54.2 | 169.9 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | T216 | S214-T216 PolarHBondContact O-N 3.08Š| ||
| 215 | R | 67.7 | Low | 73.2 | Confident | 185 Ų | 185 | 147.5 Ų | 147.5 | 70% | 0.698 | 74% | 0.744 | S | S | * | * | trans | -47.6 | 111.4 | 175.8 | -76.3 | -174.7 | -85.7 | -154.5 | -4.4 | 108.5 | H213 R217 | H213-R215 HydrophobicContact CB-CG 4.4Å; H213-R215 WeakPolarHBondContact CD2-CD 3.03Å; H213-R215 WeakPolarHBondContact CD2-CG 3.36Å; H213-R215 VanDerWaalsContact NE2-CG 3.29Å; H213-R215 WeakPolarHBondContact NE2-CG 3.45Å; H213-R215 PolarHBondContact O-N 3.27Å; R215-R217 PolarHBondContact O-N 3.32Å | ||
| 216 | T | 75 | Confident | 75.4 | Confident | 139 Ų | 139 | 148.9 Ų | 148.9 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -55.9 | 100.1 | -175.7 | 39.3 | 0 | 0 | 0 | 0 | 108.6 | S214 K218 | S214-T216 PolarHBondContact O-N 3.08Å; T216-K218 PolarHBondContact O-N 3.2Å | ||
| 217 | R | 81.1 | Confident | 77.9 | Confident | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | -61.4 | 110.3 | -169.4 | -79.1 | -169.6 | 173.6 | -155.4 | 0.4 | 108.7 | R215 K219 | R215-R217 PolarHBondContact O-N 3.32Å; R217-K219 PolarHBondContact O-N 3.49Å; R217-K219 VanDerWaalsContact O-N 3.1Å | ||
| 218 | K | 85.4 | Confident | 79.9 | Confident | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 118.5 | -175.8 | -167.6 | 165.9 | -173.3 | 169.1 | 0 | 109.8 | T216 R220 | T216-K218 PolarHBondContact O-N 3.2Å; K218-R220 PolarHBondContact O-N 3.49Å; K218-R220 VanDerWaalsContact O-N 3.15Å |
| 219 | K | 87.9 | Confident | 81.7 | Confident | 200 Ų | 200 | 145 Ų | 145 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.3 | -173.1 | -172.8 | 175.1 | -178.2 | 177.4 | 0 | 109.3 | R217 K221 | R217-K219 PolarHBondContact O-N 3.49Å; R217-K219 VanDerWaalsContact O-N 3.1Å; K219-K221 PolarHBondContact O-N 3.08Å |
| 220 | R | 92.4 | Very high | 83.7 | Confident | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.3 | -174.9 | -55.4 | 179.9 | 86.4 | 166.6 | 5.6 | 108.5 | K218 | K218-R220 PolarHBondContact O-N 3.49Å; K218-R220 VanDerWaalsContact O-N 3.15Å |
| 221 | K | 93.3 | Very high | 85.9 | Confident | 190 Ų | 190 | 128.3 Ų | 128.3 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.9 | 164.8 | -65.3 | -170.5 | 177 | -171.5 | 0 | 108.5 | K219 | K219-K221 PolarHBondContact O-N 3.08Š|
| 222 | P | 96 | Very high | 87.6 | Confident | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 158.4 | 167.7 | 31.1 | -34.4 | 0 | 0 | 0 | 110.2 | ||
| 223 | Y | 97.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 119 Ų | 119 | 27% | 0.267 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 148.7 | 170.1 | -59.1 | -55 | 0 | 0 | 0 | 110.2 | L228 L255 W263 | Y223-L228 HydrophobicContact CD2-CD2 4.24Å; Y223-L255 HydrophobicContact CD1-CD1 4.21Å; Y223-L255 HydrophobicContact CD1-CD2 3.83Å; Y223-L255 HydrophobicContact CE1-CD1 4.09Å; Y223-L255 HydrophobicContact CE1-CD2 3.66Å; Y223-W263 AromaticContact CD2-CD1 3.93Å; Y223-W263 AromaticContact CE2-CD1 3.75Å |
| 224 | S | 98.4 | Very high | 91.3 | Very high | 59 Ų | 59 | 113.8 Ų | 113.8 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 162.7 | 177 | 79.4 | 0 | 0 | 0 | 0 | 111.9 | L226 Q227 L228 | S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.35Å; S224-Q227 PolarHBondContact O-N 2.95Å; S224-Q227 WeakPolarHBondContact OG-CG 3.37Å; S224-Q227 PolarHBondContact OG-N 3.37Å; S224-L228 WeakPolarHBondContact O-CG 3.23Å; S224-L228 PolarHBondContact O-N 3.33Å |
| 225 | K | 98.1 | Very high | 93.1 | Very high | 197 Ų | 197 | 108.7 Ų | 108.7 | 86% | 0.857 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.4 | -42.7 | 175.5 | -68.3 | -174.3 | 178.5 | -178.1 | 0 | 111.9 | L228 A229 | K225-L228 PolarHBondContact O-N 2.85Å; K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 3.34Å |
| 226 | L | 97.9 | Very high | 94.6 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 177.1 | -179.7 | 62.9 | 0 | 0 | 0 | 112.2 | S224 L228 A229 E230 | S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.35Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.27Å; L226-A229 PolarHBondContact O-N 2.99Å; L226-E230 PolarHBondContact O-N 3.49Å; L226-E230 VanDerWaalsContact O-N 3.08Å |
| 227 | Q | 98.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 107.3 Ų | 107.3 | 16% | 0.159 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 176.3 | -72.9 | 175.2 | -29.5 | 0 | 0 | 111.9 | S224 L231 L253 | S224-Q227 PolarHBondContact O-N 2.95Å; S224-Q227 WeakPolarHBondContact OG-CG 3.37Å; S224-Q227 PolarHBondContact OG-N 3.37Å; Q227-L231 WeakPolarHBondContact O-CB 3.2Å; Q227-L231 VanDerWaalsContact O-CD1 3.29Å; Q227-L231 WeakPolarHBondContact O-CD1 3.41Å; Q227-L231 WeakPolarHBondContact O-CG 3.39Å; Q227-L231 PolarHBondContact O-N 2.84Å; Q227-L253 HydrophobicContact CG-CB 4.26Å; Q227-L253 PolarHBondContact NE2-O 2.98Å |
| 228 | L | 98.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 99.5 Ų | 99.5 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 176.2 | -67.9 | 174.2 | 0 | 0 | 0 | 112 | Y223 S224 K225 L226 E230 L231 E232 | Y223-L228 HydrophobicContact CD2-CD2 4.24Å; S224-L228 WeakPolarHBondContact O-CG 3.23Å; S224-L228 PolarHBondContact O-N 3.33Å; K225-L228 PolarHBondContact O-N 2.85Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.27Å; L228-E230 PolarHBondContact O-N 2.98Å; L228-L231 PolarHBondContact O-N 3.1Å; L228-E232 WeakPolarHBondContact O-CB 3.37Å; L228-E232 WeakPolarHBondContact O-CG 3.34Å; L228-E232 PolarHBondContact O-N 3.38Å |
| 229 | A | 98.4 | Very high | 97 | Very high | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K225 L226 E232 G233 | K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 3.34Å; L226-A229 PolarHBondContact O-N 2.99Å; A229-E232 PolarHBondContact O-N 3.2Å; A229-G233 PolarHBondContact O-N 3.18Å |
| 230 | E | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 89.3 Ų | 89.3 | 29% | 0.285 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.9 | -84.8 | -91.6 | -168.3 | 0 | 0 | 112.8 | L226 L228 G233 E234 L249 R252 L253 | L226-E230 PolarHBondContact O-N 3.49Å; L226-E230 VanDerWaalsContact O-N 3.08Å; L228-E230 PolarHBondContact O-N 2.98Å; E230-G233 PolarHBondContact O-N 3.18Å; E230-E234 WeakPolarHBondContact O-CB 3.46Å; E230-E234 WeakPolarHBondContact O-CG 3.5Å; E230-E234 PolarHBondContact O-N 3.15Å; E230-E234 VanDerWaalsContact O-N 3.08Å; E230-L249 HydrophobicContact CB-CD2 4.44Å; E230-R252 IonicContact OE1-CZ 3.29Å; E230-R252 IonicContact OE1-NH1 3.2Å; E230-R252 PolarHBondContact OE1-NH1 2.92Å; E230-R252 IonicContact OE2-CZ 3.79Å; E230-R252 IonicContact OE2-NH1 3.06Å; E230-R252 PolarHBondContact OE2-NH1 3.49Å; E230-R252 IonicContact OE2-NH2 2.8Å; E230-R252 PolarHBondContact OE2-NH2 3Å; E230-L253 HydrophobicContact CB-CD1 3.97Å; E230-L253 HydrophobicContact CB-CD2 3.7Å; E230-L253 HydrophobicContact CB-CG 4.38Å; E230-L253 HydrophobicContact CG-CD2 3.89Å |
| 231 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 176.1 | -71.2 | 168.3 | 0 | 0 | 0 | 112.4 | Q227 L228 F235 L249 L253 L255 V260 W263 F264 | Q227-L231 WeakPolarHBondContact O-CB 3.2Å; Q227-L231 VanDerWaalsContact O-CD1 3.29Å; Q227-L231 WeakPolarHBondContact O-CD1 3.41Å; Q227-L231 WeakPolarHBondContact O-CG 3.39Å; Q227-L231 PolarHBondContact O-N 2.84Å; L228-L231 PolarHBondContact O-N 3.1Å; L231-F235 VanDerWaalsContact O-CB 3.31Å; L231-F235 WeakPolarHBondContact O-CB 3.39Å; L231-F235 PolarHBondContact O-N 3.1Å; L231-L249 HydrophobicContact CD2-CD1 4.06Å; L231-L249 HydrophobicContact CD2-CD2 4.19Å; L231-L253 HydrophobicContact CD1-CD1 4.24Å; L231-L253 HydrophobicContact CD2-CD1 4.01Å; L231-L253 HydrophobicContact CG-CD1 3.68Å; L231-L255 HydrophobicContact CD1-CD1 4.07Å; L231-V260 HydrophobicContact CD2-CG1 4.03Å; L231-W263 VanDerWaalsContact C-CH2 3.44Å; L231-W263 HydrophobicContact CB-CD2 3.9Å; L231-W263 HydrophobicContact CB-CE3 3.92Å; L231-W263 HydrophobicContact CB-CH2 3.72Å; L231-W263 HydrophobicContact CB-CZ2 3.67Å; L231-W263 HydrophobicContact CB-CZ3 3.84Å; L231-W263 HydrophobicContact CD1-CB 4.46Å; L231-W263 HydrophobicContact CD1-CD2 3.93Å; L231-W263 HydrophobicContact CD1-CG 3.83Å; L231-W263 HydrophobicContact CD2-CD2 4.47Å; L231-W263 HydrophobicContact CD2-CE3 4.33Å; L231-W263 HydrophobicContact CG-CD2 4.32Å; L231-W263 HydrophobicContact CG-CE3 4.49Å; L231-W263 VanDerWaalsContact O-CH2 3.24Å; L231-W263 WeakPolarHBondContact O-CH2 3.4Å; L231-W263 VanDerWaalsContact O-CZ3 3.29Å; L231-W263 WeakPolarHBondContact O-CZ3 3.22Å; L231-F264 HydrophobicContact CD2-CE2 3.96Å |
| 232 | E | 98.5 | Very high | 98 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77 | -35 | 175.8 | -68.6 | -159.4 | 126.8 | 0 | 0 | 112.8 | L228 A229 F235 M236 W263 R267 | L228-E232 WeakPolarHBondContact O-CB 3.37Å; L228-E232 WeakPolarHBondContact O-CG 3.34Å; L228-E232 PolarHBondContact O-N 3.38Å; A229-E232 PolarHBondContact O-N 3.2Å; E232-F235 PolarHBondContact O-N 2.92Å; E232-M236 WeakPolarHBondContact O-CG 3.31Å; E232-M236 PolarHBondContact O-N 2.83Å; E232-W263 HydrophobicContact CB-CH2 4.48Å; E232-W263 HydrophobicContact CG-CH2 3.67Å; E232-W263 HydrophobicContact CG-CZ2 3.59Å; E232-R267 IonicContact OE1-CZ 2.79Å; E232-R267 IonicContact OE1-NE 2.62Å; E232-R267 PolarHBondContact OE1-NE 3.07Å; E232-R267 IonicContact OE1-NH2 2.83Å; E232-R267 PolarHBondContact OE1-NH2 3.19Å |
| 233 | G | 98.1 | Very high | 98.1 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 27% | 0.268 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | A229 E230 F235 M236 L237 | A229-G233 PolarHBondContact O-N 3.18Å; E230-G233 PolarHBondContact O-N 3.18Å; G233-F235 VanDerWaalsContact C-N 3.28Å; G233-F235 PolarHBondContact O-N 3.37Å; G233-M236 PolarHBondContact O-N 2.9Å; G233-M236 VanDerWaalsContact O-N 3.13Å; G233-L237 PolarHBondContact O-N 3.34Å |
| 234 | E | 98.2 | Very high | 98.1 | Very high | 21 Ų | 21 | 78.9 Ų | 78.9 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 176 | -75 | -75.2 | 132.2 | 0 | 0 | 113 | E230 M236 L237 N238 R245 L249 F264 | E230-E234 WeakPolarHBondContact O-CB 3.46Å; E230-E234 WeakPolarHBondContact O-CG 3.5Å; E230-E234 PolarHBondContact O-N 3.15Å; E230-E234 VanDerWaalsContact O-N 3.08Å; E234-M236 VanDerWaalsContact C-N 3.35Å; E234-L237 PolarHBondContact O-N 2.94Å; E234-N238 PolarHBondContact O-N 2.76Å; E234-R245 IonicContact OE1-CZ 3.91Å; E234-R245 VanDerWaalsContact OE1-CZ 3.29Å; E234-R245 IonicContact OE1-NE 2.68Å; E234-R245 PolarHBondContact OE1-NE 3.33Å; E234-R245 IonicContact OE1-NH2 3.73Å; E234-R245 PolarHBondContact OE1-NH2 3.12Å; E234-R245 WeakPolarHBondContact OE2-CD 3.29Å; E234-R245 WeakPolarHBondContact OE2-CG 3.46Å; E234-R245 IonicContact OE2-CZ 2.75Å; E234-R245 IonicContact OE2-NE 3.94Å; E234-R245 PolarHBondContact OE2-NE 2.79Å; E234-R245 IonicContact OE2-NH2 3.64Å; E234-L249 HydrophobicContact CB-CD1 3.77Å; E234-L249 HydrophobicContact CG-CD1 3.64Å; E234-L249 HydrophobicContact CG-CD2 4.18Å; E234-L249 HydrophobicContact CG-CG 4.1Å; E234-F264 HydrophobicContact CB-CZ 4.05Å |
| 235 | F | 98.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 80.2 Ų | 80.2 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -33.1 | 174.4 | -172.4 | -95.1 | 0 | 0 | 0 | 113.3 | L231 E232 G233 N238 E239 W263 F264 R267 R268 | L231-F235 VanDerWaalsContact O-CB 3.31Å; L231-F235 WeakPolarHBondContact O-CB 3.39Å; L231-F235 PolarHBondContact O-N 3.1Å; E232-F235 PolarHBondContact O-N 2.92Å; G233-F235 VanDerWaalsContact C-N 3.28Å; G233-F235 PolarHBondContact O-N 3.37Å; F235-N238 CarbonylContact O-C 3.58Å; F235-E239 HydrophobicContact CD2-CB 4.35Å; F235-E239 HydrophobicContact CE1-CG 3.96Å; F235-E239 VanDerWaalsContact CE1-OE1 3.32Å; F235-E239 WeakPolarHBondContact CE1-OE1 3.29Å; F235-E239 HydrophobicContact CE2-CB 3.61Å; F235-E239 HydrophobicContact CE2-CG 3.93Å; F235-E239 HydrophobicContact CZ-CB 3.73Å; F235-E239 VanDerWaalsContact CZ-CD 3.45Å; F235-E239 HydrophobicContact CZ-CG 3.56Å; F235-E239 VanDerWaalsContact CZ-OE1 3.3Å; F235-E239 WeakPolarHBondContact CZ-OE1 3.24Å; F235-W263 HydrophobicContact CB-CH2 4.12Å; F235-W263 HydrophobicContact CB-CZ3 4.04Å; F235-W263 HydrophobicContact CD2-CZ3 4.31Å; F235-W263 HydrophobicContact CG-CZ3 4.4Å; F235-F264 HydrophobicContact CB-CE1 4.22Å; F235-F264 HydrophobicContact CB-CZ 4.49Å; F235-F264 AromaticContact CD2-CD1 3.9Å; F235-F264 HydrophobicContact CD2-CD1 3.9Å; F235-F264 AromaticContact CD2-CE1 3.89Å; F235-F264 HydrophobicContact CD2-CE1 3.89Å; F235-R267 HydrophobicContact CB-CG 4.41Å; F235-R267 HydrophobicContact CD1-CG 3.76Å; F235-R267 HydrophobicContact CD2-CB 4.08Å; F235-R267 HydrophobicContact CD2-CG 3.55Å; F235-R267 HydrophobicContact CE1-CG 3.9Å; F235-R267 VanDerWaalsContact CE1-NH1 3.31Å; F235-R267 HydrophobicContact CE2-CB 4.09Å; F235-R267 HydrophobicContact CE2-CG 3.7Å; F235-R267 HydrophobicContact CG-CG 3.59Å; F235-R267 HydrophobicContact CZ-CG 3.87Å; F235-R268 HydrophobicContact CE2-CG 3.62Å; F235-R268 HydrophobicContact CZ-CG 3.92Å |
| 236 | M | 97.9 | Very high | 98.1 | Very high | 154 Ų | 154 | 73.2 Ų | 73.2 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.6 | -33.4 | 174.7 | -69.8 | -176.2 | -64.2 | 0 | 0 | 112.1 | E232 G233 E234 | E232-M236 WeakPolarHBondContact O-CG 3.31Å; E232-M236 PolarHBondContact O-N 2.83Å; G233-M236 PolarHBondContact O-N 2.9Å; G233-M236 VanDerWaalsContact O-N 3.13Å; E234-M236 VanDerWaalsContact C-N 3.35Å |
| 237 | L | 97.4 | Very high | 98.1 | Very high | 140 Ų | 140 | 72.6 Ų | 72.6 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.7 | -41.7 | 172.8 | -63.1 | 176.7 | 0 | 0 | 0 | 112.1 | G233 E234 | G233-L237 PolarHBondContact O-N 3.34Å; E234-L237 PolarHBondContact O-N 2.94Å |
| 238 | N | 96.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 73.8 Ų | 73.8 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | trans | -158.3 | 121.1 | 178.2 | -178 | -4.9 | 0 | 0 | 0 | 112.3 | E234 F235 F240 | E234-N238 PolarHBondContact O-N 2.76Å; F235-N238 CarbonylContact O-C 3.58Å; N238-F240 PolarHBondContact ND2-O 3.02Å; N238-F240 PolarHBondContact O-N 2.78Å; N238-F240 VanDerWaalsContact O-N 3.11Å; N238-F240 PolarHBondContact OD1-N 3.35Å; N238-F240 PolarHBondContact OD1-O 3.36Å | ||
| 239 | E | 97.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -67.3 | -13 | 179.2 | -53 | -155.7 | 141.2 | 0 | 0 | 114.4 | F235 R268 K271 | F235-E239 HydrophobicContact CD2-CB 4.35Å; F235-E239 HydrophobicContact CE1-CG 3.96Å; F235-E239 VanDerWaalsContact CE1-OE1 3.32Å; F235-E239 WeakPolarHBondContact CE1-OE1 3.29Å; F235-E239 HydrophobicContact CE2-CB 3.61Å; F235-E239 HydrophobicContact CE2-CG 3.93Å; F235-E239 HydrophobicContact CZ-CB 3.73Å; F235-E239 VanDerWaalsContact CZ-CD 3.45Å; F235-E239 HydrophobicContact CZ-CG 3.56Å; F235-E239 VanDerWaalsContact CZ-OE1 3.3Å; F235-E239 WeakPolarHBondContact CZ-OE1 3.24Å; E239-R268 HydrophobicContact CB-CG 4.29Å; E239-R268 VanDerWaalsContact O-CD 3.28Å; E239-R268 WeakPolarHBondContact O-CD 3.36Å; E239-R268 PolarHBondContact O-NE 3.01Å; E239-K271 WeakPolarHBondContact OE1-CD 3.5Å; E239-K271 WeakPolarHBondContact OE1-CE 3.33Å; E239-K271 IonicContact OE1-NZ 3.82Å; E239-K271 PolarHBondContact OE1-NZ 3.33Å; E239-K271 IonicContact OE2-NZ 2.73Å |
| 240 | F | 98.2 | Very high | 98.1 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -124.3 | 84.8 | -173.7 | -69.9 | -105.1 | 0 | 0 | 0 | 112.1 | N238 T242 | N238-F240 PolarHBondContact ND2-O 3.02Å; N238-F240 PolarHBondContact O-N 2.78Å; N238-F240 VanDerWaalsContact O-N 3.11Å; N238-F240 PolarHBondContact OD1-N 3.35Å; N238-F240 PolarHBondContact OD1-O 3.36Å; F240-T242 PolarHBondContact O-N 3.4Å |
| 241 | I | 97.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 70.8 Ų | 70.8 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | trans | -62.5 | 122.8 | -176.6 | -164.9 | 171.8 | 0 | 0 | 0 | 114.7 | R245 R246 L249 V260 F264 | I241-R245 HydrophobicContact CD1-CG 4.5Å; I241-R245 HydrophobicContact CG1-CB 4.11Å; I241-R245 HydrophobicContact CG1-CG 4.37Å; I241-R246 VanDerWaalsContact CD1-CA 3.49Å; I241-R246 HydrophobicContact CD1-CB 3.94Å; I241-R246 HydrophobicContact CD1-CG 4.34Å; I241-R246 HydrophobicContact CG1-CB 4.09Å; I241-R246 PolarHBondContact O-NH2 2.86Å; I241-L249 HydrophobicContact CD1-CB 4.42Å; I241-L249 HydrophobicContact CD1-CD1 3.37Å; I241-L249 HydrophobicContact CD1-CG 4.44Å; I241-V260 HydrophobicContact CD1-CG1 3.81Å; I241-F264 HydrophobicContact CB-CD1 3.87Å; I241-F264 HydrophobicContact CB-CD2 4.16Å; I241-F264 HydrophobicContact CB-CE1 3.82Å; I241-F264 HydrophobicContact CB-CE2 4.13Å; I241-F264 HydrophobicContact CB-CG 4.05Å; I241-F264 HydrophobicContact CB-CZ 3.96Å; I241-F264 HydrophobicContact CD1-CD2 4.24Å; I241-F264 HydrophobicContact CD1-CE2 3.72Å; I241-F264 HydrophobicContact CD1-CZ 3.97Å; I241-F264 HydrophobicContact CG1-CE2 4.5Å; I241-F264 HydrophobicContact CG1-CZ 4.42Å; I241-F264 HydrophobicContact CG2-CB 4.03Å; I241-F264 HydrophobicContact CG2-CD1 3.9Å; I241-F264 HydrophobicContact CG2-CD2 3.73Å; I241-F264 HydrophobicContact CG2-CE1 4.31Å; I241-F264 HydrophobicContact CG2-CE2 4.18Å; I241-F264 HydrophobicContact CG2-CG 3.59Å; I241-F264 HydrophobicContact CG2-CZ 4.45Å | ||
| 242 | T | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | trans | -65.1 | 166.8 | 177.8 | 72 | 0 | 0 | 0 | 0 | 112.2 | F240 Q244 R245 R246 | F240-T242 PolarHBondContact O-N 3.4Å; T242-Q244 VanDerWaalsContact C-N 3.3Å; T242-Q244 PolarHBondContact O-N 3.38Å; T242-R245 PolarHBondContact OG1-N 3.37Å; T242-R246 VanDerWaalsContact O-CB 3.23Å; T242-R246 WeakPolarHBondContact O-CB 3.16Å; T242-R246 PolarHBondContact O-N 2.93Å | ||
| 243 | R | 98.1 | Very high | 98 | Very high | 185 Ų | 185 | 73.2 Ų | 73.2 | 70% | 0.698 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -37.4 | 175.7 | -177.3 | -179.3 | 178.8 | -169.1 | -0.2 | 112.1 | ||
| 244 | Q | 98.1 | Very high | 98 | Very high | 93 Ų | 93 | 78.9 Ų | 78.9 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.8 | -56.4 | -177.1 | 178.2 | 54.5 | 23.7 | 0 | 0 | 111.1 | T242 R246 R247 E248 | T242-Q244 VanDerWaalsContact C-N 3.3Å; T242-Q244 PolarHBondContact O-N 3.38Å; Q244-R246 PolarHBondContact O-N 3.1Å; Q244-R246 VanDerWaalsContact O-N 3.14Å; Q244-R247 PolarHBondContact O-N 3.47Å; Q244-E248 VanDerWaalsContact CG-OE1 3.29Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.29Å; Q244-E248 PolarHBondContact NE2-OE1 3.34Å; Q244-E248 PolarHBondContact O-N 3.41Å |
| 245 | R | 98.1 | Very high | 98 | Very high | 87 Ų | 87 | 78.9 Ų | 78.9 | 33% | 0.328 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -26.7 | -177.9 | -167 | 53.8 | 168.2 | -178.9 | -0.6 | 113.2 | E234 I241 T242 E248 L249 | E234-R245 IonicContact OE1-CZ 3.91Å; E234-R245 VanDerWaalsContact OE1-CZ 3.29Å; E234-R245 IonicContact OE1-NE 2.68Å; E234-R245 PolarHBondContact OE1-NE 3.33Å; E234-R245 IonicContact OE1-NH2 3.73Å; E234-R245 PolarHBondContact OE1-NH2 3.12Å; E234-R245 WeakPolarHBondContact OE2-CD 3.29Å; E234-R245 WeakPolarHBondContact OE2-CG 3.46Å; E234-R245 IonicContact OE2-CZ 2.75Å; E234-R245 IonicContact OE2-NE 3.94Å; E234-R245 PolarHBondContact OE2-NE 2.79Å; E234-R245 IonicContact OE2-NH2 3.64Å; I241-R245 HydrophobicContact CD1-CG 4.5Å; I241-R245 HydrophobicContact CG1-CB 4.11Å; I241-R245 HydrophobicContact CG1-CG 4.37Å; T242-R245 PolarHBondContact OG1-N 3.37Å; R245-E248 WeakPolarHBondContact CD-OE2 3.22Å; R245-E248 IonicContact CZ-OE2 3.54Å; R245-E248 IonicContact NE-OE2 3.45Å; R245-E248 IonicContact NH1-OE2 3.59Å; R245-E248 PolarHBondContact NH1-OE2 3.27Å; R245-E248 PolarHBondContact O-N 2.73Å; R245-L249 PolarHBondContact O-N 3.16Å |
| 246 | R | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 80.9 Ų | 80.9 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 173.9 | -167.1 | -176.9 | -49 | 133.3 | 11.3 | 113.4 | I241 T242 Q244 L249 S250 D257 V260 | I241-R246 VanDerWaalsContact CD1-CA 3.49Å; I241-R246 HydrophobicContact CD1-CB 3.94Å; I241-R246 HydrophobicContact CD1-CG 4.34Å; I241-R246 HydrophobicContact CG1-CB 4.09Å; I241-R246 PolarHBondContact O-NH2 2.86Å; T242-R246 VanDerWaalsContact O-CB 3.23Å; T242-R246 WeakPolarHBondContact O-CB 3.16Å; T242-R246 PolarHBondContact O-N 2.93Å; Q244-R246 PolarHBondContact O-N 3.1Å; Q244-R246 VanDerWaalsContact O-N 3.14Å; R246-L249 PolarHBondContact O-N 2.62Å; R246-S250 WeakPolarHBondContact O-CB 3.38Å; R246-S250 PolarHBondContact O-N 2.87Å; R246-D257 WeakPolarHBondContact CD-O 3.44Å; R246-D257 VanDerWaalsContact CD-OD2 3.32Å; R246-D257 WeakPolarHBondContact CD-OD2 3.47Å; R246-D257 IonicContact NH1-OD2 2.87Å; R246-V260 HydrophobicContact CG-CB 3.96Å; R246-V260 HydrophobicContact CG-CG1 3.84Å |
| 247 | R | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 76.3 Ų | 76.3 | 42% | 0.415 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 175.6 | -68.4 | -172.4 | -68.6 | 179.2 | 0.5 | 110.3 | Q244 L249 S250 D251 D257 | Q244-R247 PolarHBondContact O-N 3.47Å; R247-L249 VanDerWaalsContact C-N 3.26Å; R247-L249 PolarHBondContact O-N 3.45Å; R247-S250 CarbonylContact O-C 3.58Å; R247-S250 WeakPolarHBondContact O-CA 3.37Å; R247-S250 WeakPolarHBondContact O-CB 3.35Å; R247-S250 PolarHBondContact O-N 3Å; R247-D251 PolarHBondContact O-N 3.05Å; R247-D251 VanDerWaalsContact O-OD2 3.11Å; R247-D257 WeakPolarHBondContact CG-OD1 3.37Å |
| 248 | E | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 76 Ų | 76 | 28% | 0.276 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.2 | -36.4 | 176 | -64 | 164.7 | -162.8 | 0 | 0 | 113.3 | Q244 R245 R252 | Q244-E248 VanDerWaalsContact CG-OE1 3.29Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.29Å; Q244-E248 PolarHBondContact NE2-OE1 3.34Å; Q244-E248 PolarHBondContact O-N 3.41Å; R245-E248 WeakPolarHBondContact CD-OE2 3.22Å; R245-E248 IonicContact CZ-OE2 3.54Å; R245-E248 IonicContact NE-OE2 3.45Å; R245-E248 IonicContact NH1-OE2 3.59Å; R245-E248 PolarHBondContact NH1-OE2 3.27Å; R245-E248 PolarHBondContact O-N 2.73Å; E248-R252 WeakPolarHBondContact O-CB 3.23Å; E248-R252 WeakPolarHBondContact O-CG 3.31Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 PolarHBondContact O-NE 2.86Å |
| 249 | L | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.3 | -35.9 | 170.8 | -97 | 172.5 | 0 | 0 | 0 | 113 | E230 L231 E234 I241 R245 R246 R247 L253 V260 F264 | E230-L249 HydrophobicContact CB-CD2 4.44Å; L231-L249 HydrophobicContact CD2-CD1 4.06Å; L231-L249 HydrophobicContact CD2-CD2 4.19Å; E234-L249 HydrophobicContact CB-CD1 3.77Å; E234-L249 HydrophobicContact CG-CD1 3.64Å; E234-L249 HydrophobicContact CG-CD2 4.18Å; E234-L249 HydrophobicContact CG-CG 4.1Å; I241-L249 HydrophobicContact CD1-CB 4.42Å; I241-L249 HydrophobicContact CD1-CD1 3.37Å; I241-L249 HydrophobicContact CD1-CG 4.44Å; R245-L249 PolarHBondContact O-N 3.16Å; R246-L249 PolarHBondContact O-N 2.62Å; R247-L249 VanDerWaalsContact C-N 3.26Å; R247-L249 PolarHBondContact O-N 3.45Å; L249-L253 HydrophobicContact CD2-CD1 3.54Å; L249-L253 HydrophobicContact CD2-CG 3.98Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.32Å; L249-L253 VanDerWaalsContact O-N 3.12Å; L249-V260 HydrophobicContact CB-CG1 4.23Å; L249-V260 HydrophobicContact CD1-CG1 4.34Å; L249-F264 HydrophobicContact CD1-CE2 4.06Å; L249-F264 HydrophobicContact CD1-CZ 4.34Å |
| 250 | S | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 175.5 | -146.4 | 0 | 0 | 0 | 0 | 110.6 | R246 R247 N254 L255 S256 D257 | R246-S250 WeakPolarHBondContact O-CB 3.38Å; R246-S250 PolarHBondContact O-N 2.87Å; R247-S250 CarbonylContact O-C 3.58Å; R247-S250 WeakPolarHBondContact O-CA 3.37Å; R247-S250 WeakPolarHBondContact O-CB 3.35Å; R247-S250 PolarHBondContact O-N 3Å; S250-N254 PolarHBondContact O-N 3.39Å; S250-L255 CarbonylContact C-O 3.58Å; S250-L255 PolarHBondContact O-N 3.33Å; S250-L255 VanDerWaalsContact O-O 3.14Å; S250-L255 PolarHBondContact OG-O 3.42Å; S250-S256 WeakPolarHBondContact OG-CA 3.39Å; S250-D257 PolarHBondContact OG-N 3.48Å |
| 251 | D | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 72 Ų | 72 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.4 | -50.8 | -174.5 | -56.6 | -32.8 | 0 | 0 | 0 | 110.8 | R247 L253 N254 | R247-D251 PolarHBondContact O-N 3.05Å; R247-D251 VanDerWaalsContact O-OD2 3.11Å; D251-L253 VanDerWaalsContact C-N 3.3Å; D251-L253 PolarHBondContact O-N 3.16Å; D251-N254 PolarHBondContact O-N 2.81Å |
| 252 | R | 97.6 | Very high | 98.1 | Very high | 109 Ų | 109 | 73.9 Ų | 73.9 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 178.9 | -68.9 | -174.4 | -49.5 | 123.3 | 5.3 | 113.2 | E230 E248 | E230-R252 IonicContact OE1-CZ 3.29Å; E230-R252 IonicContact OE1-NH1 3.2Å; E230-R252 PolarHBondContact OE1-NH1 2.92Å; E230-R252 IonicContact OE2-CZ 3.79Å; E230-R252 IonicContact OE2-NH1 3.06Å; E230-R252 PolarHBondContact OE2-NH1 3.49Å; E230-R252 IonicContact OE2-NH2 2.8Å; E230-R252 PolarHBondContact OE2-NH2 3Å; E248-R252 WeakPolarHBondContact O-CB 3.23Å; E248-R252 WeakPolarHBondContact O-CG 3.31Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 PolarHBondContact O-NE 2.86Å |
| 253 | L | 97.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -97.3 | -1.7 | -175.5 | -59.7 | -171.4 | 0 | 0 | 0 | 114.8 | Q227 E230 L231 L249 D251 L255 | Q227-L253 HydrophobicContact CG-CB 4.26Å; Q227-L253 PolarHBondContact NE2-O 2.98Å; E230-L253 HydrophobicContact CB-CD1 3.97Å; E230-L253 HydrophobicContact CB-CD2 3.7Å; E230-L253 HydrophobicContact CB-CG 4.38Å; E230-L253 HydrophobicContact CG-CD2 3.89Å; L231-L253 HydrophobicContact CD1-CD1 4.24Å; L231-L253 HydrophobicContact CD2-CD1 4.01Å; L231-L253 HydrophobicContact CG-CD1 3.68Å; L249-L253 HydrophobicContact CD2-CD1 3.54Å; L249-L253 HydrophobicContact CD2-CG 3.98Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.46Å; L249-L253 PolarHBondContact O-N 3.32Å; L249-L253 VanDerWaalsContact O-N 3.12Å; D251-L253 VanDerWaalsContact C-N 3.3Å; D251-L253 PolarHBondContact O-N 3.16Å; L253-L255 HydrophobicContact CB-CD1 4.11Å; L253-L255 HydrophobicContact CB-CG 3.99Å; L253-L255 HydrophobicContact CD1-CD1 4.34Å; L253-L255 PolarHBondContact O-N 3.22Å |
| 254 | N | 97.9 | Very high | 98.1 | Very high | 145 Ų | 145 | 62.6 Ų | 62.6 | 78% | 0.775 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 43.8 | -172.6 | -68.5 | -97.1 | 0 | 0 | 0 | 112.1 | S250 D251 | S250-N254 PolarHBondContact O-N 3.39Å; D251-N254 PolarHBondContact O-N 2.81Å |
| 255 | L | 97.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | trans | -113.1 | 167.8 | 174.1 | -64.4 | -177.2 | 0 | 0 | 0 | 109.5 | Y223 L231 S250 L253 Q259 V260 | Y223-L255 HydrophobicContact CD1-CD1 4.21Å; Y223-L255 HydrophobicContact CD1-CD2 3.83Å; Y223-L255 HydrophobicContact CE1-CD1 4.09Å; Y223-L255 HydrophobicContact CE1-CD2 3.66Å; L231-L255 HydrophobicContact CD1-CD1 4.07Å; S250-L255 CarbonylContact C-O 3.58Å; S250-L255 PolarHBondContact O-N 3.33Å; S250-L255 VanDerWaalsContact O-O 3.14Å; S250-L255 PolarHBondContact OG-O 3.42Å; L253-L255 HydrophobicContact CB-CD1 4.11Å; L253-L255 HydrophobicContact CB-CG 3.99Å; L253-L255 HydrophobicContact CD1-CD1 4.34Å; L253-L255 PolarHBondContact O-N 3.22Å; L255-Q259 HydrophobicContact CB-CB 4.4Å; L255-V260 HydrophobicContact CB-CG2 4.12Å; L255-V260 HydrophobicContact CD1-CG2 4.45Å | ||
| 256 | S | 98.1 | Very high | 98.1 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | trans | -90.8 | 152.3 | 168.3 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | S250 Q258 Q259 V260 | S250-S256 WeakPolarHBondContact OG-CA 3.39Å; S256-Q258 PolarHBondContact O-N 3.22Å; S256-Q259 WeakPolarHBondContact O-CA 3.28Å; S256-Q259 WeakPolarHBondContact O-CB 3.42Å; S256-Q259 PolarHBondContact O-N 3.07Å; S256-Q259 WeakPolarHBondContact OG-CG 3.35Å; S256-Q259 PolarHBondContact OG-N 3.29Å; S256-Q259 PolarHBondContact OG-OE1 3.45Å; S256-V260 PolarHBondContact O-N 3.44Å | ||
| 257 | D | 97.9 | Very high | 98.1 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -47.2 | -38.3 | 172.7 | -123.2 | 69.5 | 0 | 0 | 0 | 111.8 | R246 R247 S250 K261 | R246-D257 WeakPolarHBondContact CD-O 3.44Å; R246-D257 VanDerWaalsContact CD-OD2 3.32Å; R246-D257 WeakPolarHBondContact CD-OD2 3.47Å; R246-D257 IonicContact NH1-OD2 2.87Å; R247-D257 WeakPolarHBondContact CG-OD1 3.37Å; S250-D257 PolarHBondContact OG-N 3.48Å; D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 3.01Å |
| 258 | Q | 97.7 | Very high | 98.1 | Very high | 135 Ų | 135 | 61.2 Ų | 61.2 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.6 | -40.9 | 176.2 | -172 | -179.6 | 3.9 | 0 | 0 | 112.7 | S256 I262 | S256-Q258 PolarHBondContact O-N 3.22Å; Q258-I262 HydrophobicContact CG-CD1 3.82Å; Q258-I262 HydrophobicContact CG-CG1 4.47Å; Q258-I262 VanDerWaalsContact O-CB 3.31Å; Q258-I262 WeakPolarHBondContact O-CB 3.3Å; Q258-I262 VanDerWaalsContact O-CG1 3.23Å; Q258-I262 WeakPolarHBondContact O-CG1 3.32Å; Q258-I262 PolarHBondContact O-N 3.19Å |
| 259 | Q | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 174.8 | -77.3 | 166.8 | -77.7 | 0 | 0 | 111.6 | L255 S256 I262 W263 | L255-Q259 HydrophobicContact CB-CB 4.4Å; S256-Q259 WeakPolarHBondContact O-CA 3.28Å; S256-Q259 WeakPolarHBondContact O-CB 3.42Å; S256-Q259 PolarHBondContact O-N 3.07Å; S256-Q259 WeakPolarHBondContact OG-CG 3.35Å; S256-Q259 PolarHBondContact OG-N 3.29Å; S256-Q259 PolarHBondContact OG-OE1 3.45Å; Q259-I262 PolarHBondContact O-N 2.93Å; Q259-W263 WeakPolarHBondContact O-CB 3.48Å; Q259-W263 PolarHBondContact O-N 3.27Å |
| 260 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.2 | -177 | 0 | 0 | 0 | 0 | 110.2 | L231 I241 R246 L249 L255 S256 I262 W263 F264 | L231-V260 HydrophobicContact CD2-CG1 4.03Å; I241-V260 HydrophobicContact CD1-CG1 3.81Å; R246-V260 HydrophobicContact CG-CB 3.96Å; R246-V260 HydrophobicContact CG-CG1 3.84Å; L249-V260 HydrophobicContact CB-CG1 4.23Å; L249-V260 HydrophobicContact CD1-CG1 4.34Å; L255-V260 HydrophobicContact CB-CG2 4.12Å; L255-V260 HydrophobicContact CD1-CG2 4.45Å; S256-V260 PolarHBondContact O-N 3.44Å; V260-I262 PolarHBondContact O-N 2.84Å; V260-W263 PolarHBondContact O-N 3.44Å; V260-F264 HydrophobicContact CG1-CD2 3.99Å; V260-F264 HydrophobicContact CG1-CE2 4.08Å; V260-F264 WeakPolarHBondContact O-CD2 3.41Å; V260-F264 PolarHBondContact O-N 2.79Å |
| 261 | K | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 71.7 Ų | 71.7 | 46% | 0.457 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 174.8 | -178.8 | -178.6 | 177.6 | -177.1 | 0 | 112.5 | D257 F264 Q265 | D257-K261 WeakPolarHBondContact O-CB 3.39Å; D257-K261 PolarHBondContact O-N 3.01Å; K261-F264 PolarHBondContact O-N 2.9Å; K261-Q265 WeakPolarHBondContact O-CG 3.04Å; K261-Q265 PolarHBondContact O-N 2.92Å; K261-Q265 VanDerWaalsContact O-N 3.1Å |
| 262 | I | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 72 Ų | 72 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 178.8 | -73.6 | 170.1 | 0 | 0 | 0 | 111.1 | Q258 Q259 V260 Q265 N266 | Q258-I262 HydrophobicContact CG-CD1 3.82Å; Q258-I262 HydrophobicContact CG-CG1 4.47Å; Q258-I262 VanDerWaalsContact O-CB 3.31Å; Q258-I262 WeakPolarHBondContact O-CB 3.3Å; Q258-I262 VanDerWaalsContact O-CG1 3.23Å; Q258-I262 WeakPolarHBondContact O-CG1 3.32Å; Q258-I262 PolarHBondContact O-N 3.19Å; Q259-I262 PolarHBondContact O-N 2.93Å; V260-I262 PolarHBondContact O-N 2.84Å; I262-Q265 PolarHBondContact O-N 3.44Å; I262-N266 WeakPolarHBondContact CG2-ND2 3.48Å; I262-N266 WeakPolarHBondContact O-CB 3.47Å; I262-N266 PolarHBondContact O-N 3.45Å; I262-N266 PolarHBondContact O-ND2 3.29Å |
| 263 | W | 98.4 | Very high | 98.1 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176 | -172.6 | 104.5 | 0 | 0 | 0 | 110.9 | Y223 L231 E232 F235 Q259 V260 Q265 N266 R267 | Y223-W263 AromaticContact CD2-CD1 3.93Å; Y223-W263 AromaticContact CE2-CD1 3.75Å; L231-W263 VanDerWaalsContact C-CH2 3.44Å; L231-W263 HydrophobicContact CB-CD2 3.9Å; L231-W263 HydrophobicContact CB-CE3 3.92Å; L231-W263 HydrophobicContact CB-CH2 3.72Å; L231-W263 HydrophobicContact CB-CZ2 3.67Å; L231-W263 HydrophobicContact CB-CZ3 3.84Å; L231-W263 HydrophobicContact CD1-CB 4.46Å; L231-W263 HydrophobicContact CD1-CD2 3.93Å; L231-W263 HydrophobicContact CD1-CG 3.83Å; L231-W263 HydrophobicContact CD2-CD2 4.47Å; L231-W263 HydrophobicContact CD2-CE3 4.33Å; L231-W263 HydrophobicContact CG-CD2 4.32Å; L231-W263 HydrophobicContact CG-CE3 4.49Å; L231-W263 VanDerWaalsContact O-CH2 3.24Å; L231-W263 WeakPolarHBondContact O-CH2 3.4Å; L231-W263 VanDerWaalsContact O-CZ3 3.29Å; L231-W263 WeakPolarHBondContact O-CZ3 3.22Å; E232-W263 HydrophobicContact CB-CH2 4.48Å; E232-W263 HydrophobicContact CG-CH2 3.67Å; E232-W263 HydrophobicContact CG-CZ2 3.59Å; F235-W263 HydrophobicContact CB-CH2 4.12Å; F235-W263 HydrophobicContact CB-CZ3 4.04Å; F235-W263 HydrophobicContact CD2-CZ3 4.31Å; F235-W263 HydrophobicContact CG-CZ3 4.4Å; Q259-W263 WeakPolarHBondContact O-CB 3.48Å; Q259-W263 PolarHBondContact O-N 3.27Å; V260-W263 PolarHBondContact O-N 3.44Å; W263-Q265 VanDerWaalsContact C-N 3.31Å; W263-Q265 PolarHBondContact O-N 3.1Å; W263-N266 CarbonylContact O-C 3.59Å; W263-N266 PolarHBondContact O-N 3.01Å; W263-N266 VanDerWaalsContact O-N 3.12Å; W263-R267 HydrophobicContact CD2-CB 4.43Å; W263-R267 HydrophobicContact CE3-CB 3.96Å; W263-R267 HydrophobicContact CH2-CB 3.84Å; W263-R267 HydrophobicContact CH2-CG 3.51Å; W263-R267 HydrophobicContact CZ2-CB 4.34Å; W263-R267 HydrophobicContact CZ2-CG 4.19Å; W263-R267 HydrophobicContact CZ3-CB 3.64Å; W263-R267 HydrophobicContact CZ3-CG 3.71Å; W263-R267 WeakPolarHBondContact O-CB 3.23Å; W263-R267 PolarHBondContact O-N 3.15Å |
| 264 | F | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -31.9 | 177.3 | -90.2 | -97.7 | 0 | 0 | 0 | 113.4 | L231 E234 F235 I241 L249 V260 K261 R268 | L231-F264 HydrophobicContact CD2-CE2 3.96Å; E234-F264 HydrophobicContact CB-CZ 4.05Å; F235-F264 HydrophobicContact CB-CE1 4.22Å; F235-F264 HydrophobicContact CB-CZ 4.49Å; F235-F264 AromaticContact CD2-CD1 3.9Å; F235-F264 HydrophobicContact CD2-CD1 3.9Å; F235-F264 AromaticContact CD2-CE1 3.89Å; F235-F264 HydrophobicContact CD2-CE1 3.89Å; I241-F264 HydrophobicContact CB-CD1 3.87Å; I241-F264 HydrophobicContact CB-CD2 4.16Å; I241-F264 HydrophobicContact CB-CE1 3.82Å; I241-F264 HydrophobicContact CB-CE2 4.13Å; I241-F264 HydrophobicContact CB-CG 4.05Å; I241-F264 HydrophobicContact CB-CZ 3.96Å; I241-F264 HydrophobicContact CD1-CD2 4.24Å; I241-F264 HydrophobicContact CD1-CE2 3.72Å; I241-F264 HydrophobicContact CD1-CZ 3.97Å; I241-F264 HydrophobicContact CG1-CE2 4.5Å; I241-F264 HydrophobicContact CG1-CZ 4.42Å; I241-F264 HydrophobicContact CG2-CB 4.03Å; I241-F264 HydrophobicContact CG2-CD1 3.9Å; I241-F264 HydrophobicContact CG2-CD2 3.73Å; I241-F264 HydrophobicContact CG2-CE1 4.31Å; I241-F264 HydrophobicContact CG2-CE2 4.18Å; I241-F264 HydrophobicContact CG2-CG 3.59Å; I241-F264 HydrophobicContact CG2-CZ 4.45Å; L249-F264 HydrophobicContact CD1-CE2 4.06Å; L249-F264 HydrophobicContact CD1-CZ 4.34Å; V260-F264 HydrophobicContact CG1-CD2 3.99Å; V260-F264 HydrophobicContact CG1-CE2 4.08Å; V260-F264 WeakPolarHBondContact O-CD2 3.41Å; V260-F264 PolarHBondContact O-N 2.79Å; K261-F264 PolarHBondContact O-N 2.9Å; F264-R268 PolarHBondContact O-N 2.94Å; F264-R268 PolarHBondContact O-NE 2.88Å |
| 265 | Q | 98.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 169.9 | -73.1 | 172.5 | -24.5 | 0 | 0 | 111.1 | K261 I262 W263 R267 R268 M269 | K261-Q265 WeakPolarHBondContact O-CG 3.04Å; K261-Q265 PolarHBondContact O-N 2.92Å; K261-Q265 VanDerWaalsContact O-N 3.1Å; I262-Q265 PolarHBondContact O-N 3.44Å; W263-Q265 VanDerWaalsContact C-N 3.31Å; W263-Q265 PolarHBondContact O-N 3.1Å; Q265-R267 VanDerWaalsContact C-N 3.33Å; Q265-R267 PolarHBondContact O-N 3.26Å; Q265-R268 PolarHBondContact O-N 2.84Å; Q265-M269 WeakPolarHBondContact O-CG 3.26Å; Q265-M269 PolarHBondContact O-N 3.36Å; Q265-M269 VanDerWaalsContact O-N 3.1Å |
| 266 | N | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 79.9 Ų | 79.9 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 178.4 | -68 | -34.9 | 0 | 0 | 0 | 112.6 | I262 W263 M269 K270 | I262-N266 WeakPolarHBondContact CG2-ND2 3.48Å; I262-N266 WeakPolarHBondContact O-CB 3.47Å; I262-N266 PolarHBondContact O-N 3.45Å; I262-N266 PolarHBondContact O-ND2 3.29Å; W263-N266 CarbonylContact O-C 3.59Å; W263-N266 PolarHBondContact O-N 3.01Å; W263-N266 VanDerWaalsContact O-N 3.12Å; N266-M269 PolarHBondContact O-N 3.02Å; N266-K270 WeakPolarHBondContact O-CB 3.45Å; N266-K270 PolarHBondContact O-N 2.96Å |
| 267 | R | 98.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 85.9 Ų | 85.9 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | -178.8 | -173.3 | 61.4 | 177.5 | 69.5 | -1.8 | 112.5 | E232 F235 W263 Q265 K270 K271 | E232-R267 IonicContact OE1-CZ 2.79Å; E232-R267 IonicContact OE1-NE 2.62Å; E232-R267 PolarHBondContact OE1-NE 3.07Å; E232-R267 IonicContact OE1-NH2 2.83Å; E232-R267 PolarHBondContact OE1-NH2 3.19Å; F235-R267 HydrophobicContact CB-CG 4.41Å; F235-R267 HydrophobicContact CD1-CG 3.76Å; F235-R267 HydrophobicContact CD2-CB 4.08Å; F235-R267 HydrophobicContact CD2-CG 3.55Å; F235-R267 HydrophobicContact CE1-CG 3.9Å; F235-R267 VanDerWaalsContact CE1-NH1 3.31Å; F235-R267 HydrophobicContact CE2-CB 4.09Å; F235-R267 HydrophobicContact CE2-CG 3.7Å; F235-R267 HydrophobicContact CG-CG 3.59Å; F235-R267 HydrophobicContact CZ-CG 3.87Å; W263-R267 HydrophobicContact CD2-CB 4.43Å; W263-R267 HydrophobicContact CE3-CB 3.96Å; W263-R267 HydrophobicContact CH2-CB 3.84Å; W263-R267 HydrophobicContact CH2-CG 3.51Å; W263-R267 HydrophobicContact CZ2-CB 4.34Å; W263-R267 HydrophobicContact CZ2-CG 4.19Å; W263-R267 HydrophobicContact CZ3-CB 3.64Å; W263-R267 HydrophobicContact CZ3-CG 3.71Å; W263-R267 WeakPolarHBondContact O-CB 3.23Å; W263-R267 PolarHBondContact O-N 3.15Å; Q265-R267 VanDerWaalsContact C-N 3.33Å; Q265-R267 PolarHBondContact O-N 3.26Å; R267-K270 PolarHBondContact O-N 2.97Å; R267-K271 PolarHBondContact O-N 3.04Å |
| 268 | R | 98.5 | Very high | 97.2 | Very high | 78 Ų | 78 | 88.4 Ų | 88.4 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 170.6 | -71.8 | -175.8 | -74.1 | 138.2 | 0.8 | 112.1 | F235 E239 F264 Q265 K270 K271 K272 | F235-R268 HydrophobicContact CE2-CG 3.62Å; F235-R268 HydrophobicContact CZ-CG 3.92Å; E239-R268 HydrophobicContact CB-CG 4.29Å; E239-R268 VanDerWaalsContact O-CD 3.28Å; E239-R268 WeakPolarHBondContact O-CD 3.36Å; E239-R268 PolarHBondContact O-NE 3.01Å; F264-R268 PolarHBondContact O-N 2.94Å; F264-R268 PolarHBondContact O-NE 2.88Å; Q265-R268 PolarHBondContact O-N 2.84Å; R268-K270 VanDerWaalsContact C-N 3.31Å; R268-K270 PolarHBondContact O-N 2.82Å; R268-K271 PolarHBondContact O-N 3.06Å; R268-K272 PolarHBondContact O-N 2.86Å |
| 269 | M | 98.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 87.5 Ų | 87.5 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 175 | -67 | -54.9 | -64.3 | 0 | 0 | 112.7 | Q265 N266 R273 | Q265-M269 WeakPolarHBondContact O-CG 3.26Å; Q265-M269 PolarHBondContact O-N 3.36Å; Q265-M269 VanDerWaalsContact O-N 3.1Å; N266-M269 PolarHBondContact O-N 3.02Å; M269-R273 WeakPolarHBondContact O-CB 3.4Å; M269-R273 VanDerWaalsContact O-CG 3.23Å; M269-R273 WeakPolarHBondContact O-CG 3.43Å; M269-R273 PolarHBondContact O-N 2.88Å |
| 270 | K | 97.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 86.5 Ų | 86.5 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 170.3 | -173.4 | -174.7 | 175.1 | -169.2 | 0 | 110.7 | N266 R267 R268 K272 R273 L274 | N266-K270 WeakPolarHBondContact O-CB 3.45Å; N266-K270 PolarHBondContact O-N 2.96Å; R267-K270 PolarHBondContact O-N 2.97Å; R268-K270 VanDerWaalsContact C-N 3.31Å; R268-K270 PolarHBondContact O-N 2.82Å; K270-K272 PolarHBondContact O-N 2.97Å; K270-R273 PolarHBondContact O-N 3.07Å; K270-L274 HydrophobicContact CG-CD1 4.13Å; K270-L274 WeakPolarHBondContact O-CG 3.44Å; K270-L274 PolarHBondContact O-N 3.36Å |
| 271 | K | 97.6 | Very high | 96.1 | Very high | 71 Ų | 71 | 91.4 Ų | 91.4 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.3 | -52 | 177 | -173.3 | -177.3 | 179.7 | -173.1 | 0 | 111.7 | E239 R267 R268 R273 L274 M275 | E239-K271 WeakPolarHBondContact OE1-CD 3.5Å; E239-K271 WeakPolarHBondContact OE1-CE 3.33Å; E239-K271 IonicContact OE1-NZ 3.82Å; E239-K271 PolarHBondContact OE1-NZ 3.33Å; E239-K271 IonicContact OE2-NZ 2.73Å; R267-K271 PolarHBondContact O-N 3.04Å; R268-K271 PolarHBondContact O-N 3.06Å; K271-R273 VanDerWaalsContact C-N 3.3Å; K271-R273 PolarHBondContact O-N 3.24Å; K271-L274 PolarHBondContact O-N 3.12Å; K271-L274 VanDerWaalsContact O-N 3.16Å; K271-M275 HydrophobicContact CD-SD 4.35Å; K271-M275 HydrophobicContact CG-SD 3.89Å; K271-M275 WeakPolarHBondContact O-CG 3.32Å; K271-M275 PolarHBondContact O-N 3.44Å |
| 272 | K | 97.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 178.2 | -174.8 | 173.6 | 179.3 | 174.3 | 0 | 112.3 | R268 K270 M276 | R268-K272 PolarHBondContact O-N 2.86Å; K270-K272 PolarHBondContact O-N 2.97Å; K272-M276 HydrophobicContact CD-SD 4.38Å; K272-M276 VanDerWaalsContact CE-SD 3.57Å; K272-M276 HydrophobicContact CG-CE 4.05Å; K272-M276 HydrophobicContact CG-CG 4.36Å; K272-M276 HydrophobicContact CG-SD 3.98Å; K272-M276 WeakPolarHBondContact O-CB 3.43Å; K272-M276 VanDerWaalsContact O-CG 3.26Å; K272-M276 WeakPolarHBondContact O-CG 3.42Å; K272-M276 PolarHBondContact O-N 3.08Å |
| 273 | R | 97.1 | Very high | 94.6 | Very high | 176 Ų | 176 | 95.3 Ų | 95.3 | 66% | 0.664 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.9 | -34.5 | 177.4 | -77.2 | 173.6 | 175.2 | -170.9 | -2.6 | 113.7 | M269 K270 K271 M276 R277 | M269-R273 WeakPolarHBondContact O-CB 3.4Å; M269-R273 VanDerWaalsContact O-CG 3.23Å; M269-R273 WeakPolarHBondContact O-CG 3.43Å; M269-R273 PolarHBondContact O-N 2.88Å; K270-R273 PolarHBondContact O-N 3.07Å; K271-R273 VanDerWaalsContact C-N 3.3Å; K271-R273 PolarHBondContact O-N 3.24Å; R273-M276 HydrophobicContact CG-CE 4.37Å; R273-R277 WeakPolarHBondContact O-CB 3.44Å; R273-R277 PolarHBondContact O-N 3.31Å |
| 274 | L | 96.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 105.6 Ų | 105.6 | 41% | 0.408 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -51.7 | 174.2 | -69.5 | 169 | 0 | 0 | 0 | 110.2 | K270 K271 M276 R277 E278 | K270-L274 HydrophobicContact CG-CD1 4.13Å; K270-L274 WeakPolarHBondContact O-CG 3.44Å; K270-L274 PolarHBondContact O-N 3.36Å; K271-L274 PolarHBondContact O-N 3.12Å; K271-L274 VanDerWaalsContact O-N 3.16Å; L274-M276 VanDerWaalsContact C-N 3.34Å; L274-M276 PolarHBondContact O-N 2.84Å; L274-R277 CarbonylContact O-C 3.43Å; L274-R277 WeakPolarHBondContact O-CA 3.11Å; L274-R277 WeakPolarHBondContact O-CB 3.45Å; L274-R277 PolarHBondContact O-N 3.38Å; L274-E278 WeakPolarHBondContact O-CG 3.25Å; L274-E278 PolarHBondContact O-N 3.4Å |
| 275 | M | 94.8 | Very high | 93 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 50% | 0.502 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 178 | -69.3 | 173.3 | 134.7 | 0 | 0 | 113.1 | K271 R277 E278 Q279 | K271-M275 HydrophobicContact CD-SD 4.35Å; K271-M275 HydrophobicContact CG-SD 3.89Å; K271-M275 WeakPolarHBondContact O-CG 3.32Å; K271-M275 PolarHBondContact O-N 3.44Å; M275-R277 VanDerWaalsContact C-N 3.31Å; M275-R277 PolarHBondContact O-N 3.36Å; M275-E278 WeakPolarHBondContact CA-OE2 3.35Å; M275-E278 PolarHBondContact O-N 3.06Å; M275-Q279 WeakPolarHBondContact O-CB 3.33Å; M275-Q279 PolarHBondContact O-N 3.17Å |
| 276 | M | 93.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 111.9 Ų | 111.9 | 47% | 0.473 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.5 | -27.7 | 175.5 | -68.3 | -178.9 | -44 | 0 | 0 | 113 | K272 R273 L274 A280 | K272-M276 HydrophobicContact CD-SD 4.38Å; K272-M276 VanDerWaalsContact CE-SD 3.57Å; K272-M276 HydrophobicContact CG-CE 4.05Å; K272-M276 HydrophobicContact CG-CG 4.36Å; K272-M276 HydrophobicContact CG-SD 3.98Å; K272-M276 WeakPolarHBondContact O-CB 3.43Å; K272-M276 VanDerWaalsContact O-CG 3.26Å; K272-M276 WeakPolarHBondContact O-CG 3.42Å; K272-M276 PolarHBondContact O-N 3.08Å; R273-M276 HydrophobicContact CG-CE 4.37Å; L274-M276 VanDerWaalsContact C-N 3.34Å; L274-M276 PolarHBondContact O-N 2.84Å; M276-A280 VanDerWaalsContact O-CB 3.32Å; M276-A280 WeakPolarHBondContact O-CB 3.09Å; M276-A280 PolarHBondContact O-N 3.32Å; M276-A280 VanDerWaalsContact O-N 3.1Å |
| 277 | R | 94.1 | Very high | 92.3 | Very high | 174 Ų | 174 | 113.1 Ų | 113.1 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -75.7 | -42.7 | 174.1 | 177.7 | 178.4 | 175.9 | 161.9 | 1.2 | 111.3 | R273 L274 M275 A280 L281 | R273-R277 WeakPolarHBondContact O-CB 3.44Å; R273-R277 PolarHBondContact O-N 3.31Å; L274-R277 CarbonylContact O-C 3.43Å; L274-R277 WeakPolarHBondContact O-CA 3.11Å; L274-R277 WeakPolarHBondContact O-CB 3.45Å; L274-R277 PolarHBondContact O-N 3.38Å; M275-R277 VanDerWaalsContact C-N 3.31Å; M275-R277 PolarHBondContact O-N 3.36Å; R277-A280 PolarHBondContact O-N 3.1Å; R277-L281 HydrophobicContact CG-CD1 4.16Å; R277-L281 WeakPolarHBondContact O-CG 3.28Å; R277-L281 PolarHBondContact O-N 3.05Å |
| 278 | E | 91.8 | Very high | 92 | Very high | 111 Ų | 111 | 116.6 Ų | 116.6 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.7 | -71.7 | 149.4 | -169.6 | 0 | 0 | 110.2 | L274 M275 A280 L281 S282 | L274-E278 WeakPolarHBondContact O-CG 3.25Å; L274-E278 PolarHBondContact O-N 3.4Å; M275-E278 WeakPolarHBondContact CA-OE2 3.35Å; M275-E278 PolarHBondContact O-N 3.06Å; E278-A280 PolarHBondContact O-N 2.92Å; E278-L281 PolarHBondContact O-N 3.19Å; E278-L281 VanDerWaalsContact O-N 3.15Å; E278-S282 PolarHBondContact O-N 3.13Å |
| 279 | Q | 90.6 | Very high | 91.6 | Very high | 117 Ų | 117 | 119.1 Ų | 119.1 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.4 | -40 | 173.6 | -171.8 | 178.6 | 22 | 0 | 0 | 112.9 | M275 L281 S282 F283 | M275-Q279 WeakPolarHBondContact O-CB 3.33Å; M275-Q279 PolarHBondContact O-N 3.17Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 PolarHBondContact O-N 3.26Å; Q279-S282 WeakPolarHBondContact CA-OG 3.14Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.3Å; Q279-F283 HydrophobicContact CG-CE2 4.12Å; Q279-F283 WeakPolarHBondContact O-CD2 3.44Å; Q279-F283 WeakPolarHBondContact O-CE2 3.34Å |
| 280 | A | 90.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 120.2 Ų | 120.2 | 44% | 0.438 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M276 R277 E278 F284 | M276-A280 VanDerWaalsContact O-CB 3.32Å; M276-A280 WeakPolarHBondContact O-CB 3.09Å; M276-A280 PolarHBondContact O-N 3.32Å; M276-A280 VanDerWaalsContact O-N 3.1Å; R277-A280 PolarHBondContact O-N 3.1Å; E278-A280 PolarHBondContact O-N 2.92Å; A280-F284 WeakPolarHBondContact O-CD2 3.41Å; A280-F284 WeakPolarHBondContact O-CE2 3.5Å |
| 281 | L | 89.6 | Confident | 90.6 | Very high | 102 Ų | 102 | 120.6 Ų | 120.6 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.9 | -29.3 | 174.7 | -71 | 168.9 | 0 | 0 | 0 | 112.4 | R277 E278 Q279 F283 F284 | R277-L281 HydrophobicContact CG-CD1 4.16Å; R277-L281 WeakPolarHBondContact O-CG 3.28Å; R277-L281 PolarHBondContact O-N 3.05Å; E278-L281 PolarHBondContact O-N 3.19Å; E278-L281 VanDerWaalsContact O-N 3.15Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 PolarHBondContact O-N 3.26Å; L281-F283 PolarHBondContact O-N 3.19Å; L281-F284 PolarHBondContact O-N 2.78Å |
| 282 | S | 88.2 | Confident | 90.1 | Very high | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 8.6 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | E278 Q279 | E278-S282 PolarHBondContact O-N 3.13Å; Q279-S282 WeakPolarHBondContact CA-OG 3.14Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.3Å |
| 283 | F | 78.3 | Confident | 89.4 | Confident | 158 Ų | 158 | 124.5 Ų | 124.5 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 8.7 | 173 | -69.1 | -66.7 | 0 | 0 | 0 | 113.1 | Q279 L281 | Q279-F283 HydrophobicContact CG-CE2 4.12Å; Q279-F283 WeakPolarHBondContact O-CD2 3.44Å; Q279-F283 WeakPolarHBondContact O-CE2 3.34Å; L281-F283 PolarHBondContact O-N 3.19Å |
| 284 | F | 68.7 | Low | 88.7 | Confident | 239 Ų | 239 | 119.8 Ų | 119.8 | 100% | 1.048 | 59% | 0.585 | S | S | * | * | trans | -126 | 0 | 177.5 | -65.2 | -81.3 | 0 | 0 | 0 | 110.8 | A280 L281 | A280-F284 WeakPolarHBondContact O-CD2 3.41Å; A280-F284 WeakPolarHBondContact O-CE2 3.5Å; L281-F284 PolarHBondContact O-N 2.78Å |
Retrieved 284 of 284 residues in 458.3 ms
(Link to these results)