| 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 | 59.9 | Low | 63.9 | Low | 232 Ų | 232 | 141.7 Ų | 141.7 | 100% | 1.143 | 66% | 0.664 | S | S | * | * | 0 | 12.7 | 0 | -65.2 | -80.4 | -171 | 0 | 0 | 114 | |||||
| 2 | H | 59.4 | Low | 64.3 | Low | 148 Ų | 148 | 137.9 Ų | 137.9 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | -112.3 | -4.4 | -172.2 | -137.3 | -83.4 | 0 | 0 | 0 | 115.6 | ||||
| 3 | L | 58.1 | Low | 64.2 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -93 | -13.6 | -178.9 | -83 | 143.9 | 0 | 0 | 0 | 114.3 | ||
| 4 | R | 58.9 | Low | 63.8 | Low | 219 Ų | 219 | 132.4 Ų | 132.4 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -83 | -25 | 177.5 | -70.5 | -95 | 172 | 144 | -4.5 | 112.7 | W8 | R4-W8 PolarHBondContact O-N 3.42Å |
| 5 | L | 60 | Low | 63.5 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.2 | -33.6 | 179.4 | -72.8 | 164.8 | 0 | 0 | 0 | 112.7 | W8 F9 | L5-W8 PolarHBondContact O-N 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.07Å; L5-F9 PolarHBondContact O-N 3.2Å |
| 6 | I | 64.6 | Low | 63.1 | Low | 88 Ų | 88 | 132.6 Ų | 132.6 | 45% | 0.451 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.2 | -39.5 | 179 | -60.3 | 168 | 0 | 0 | 0 | 110.6 | W8 F9 F10 | I6-W8 PolarHBondContact O-N 3.31Å; I6-F9 PolarHBondContact O-N 3.26Å; I6-F10 HydrophobicContact CG2-CD2 3.99Å; I6-F10 HydrophobicContact CG2-CE2 3.76Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.28Å; I6-F10 PolarHBondContact O-N 3.29Å |
| 7 | S | 67.6 | Low | 62.5 | Low | 67 Ų | 67 | 134.2 Ų | 134.2 | 47% | 0.469 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.5 | -39.1 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | I11 | S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.9Å |
| 8 | W | 66.8 | Low | 62.1 | Low | 181 Ų | 181 | 136.1 Ų | 136.1 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -33.6 | 175.1 | -84.8 | 31.1 | 0 | 0 | 0 | 112.9 | R4 L5 I6 I11 I12 | R4-W8 PolarHBondContact O-N 3.42Å; L5-W8 PolarHBondContact O-N 3.3Å; I6-W8 PolarHBondContact O-N 3.31Å; W8-I11 PolarHBondContact O-N 3.48Å; W8-I12 VanDerWaalsContact O-CG1 3.27Å; W8-I12 WeakPolarHBondContact O-CG1 2.99Å; W8-I12 PolarHBondContact O-N 2.04Å |
| 9 | F | 70.9 | Confident | 61.7 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 57% | 0.566 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.5 | -41.2 | 177.1 | -163.5 | -104.2 | 0 | 0 | 0 | 112.5 | L5 I6 I11 I12 L13 | L5-F9 WeakPolarHBondContact O-CB 3.07Å; L5-F9 PolarHBondContact O-N 3.2Å; I6-F9 PolarHBondContact O-N 3.26Å; F9-I11 PolarHBondContact O-N 3.4Å; F9-I12 PolarHBondContact O-N 3.26Å; F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.28Å; F9-L13 HydrophobicContact CZ-CD1 4.33Å; F9-L13 WeakPolarHBondContact O-CG 3.41Å; F9-L13 PolarHBondContact O-N 3.14Å |
| 10 | F | 66.8 | Low | 61.1 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 55% | 0.553 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.4 | -31.2 | 175.2 | -80.6 | -73.2 | 0 | 0 | 0 | 113.7 | I6 N14 | I6-F10 HydrophobicContact CG2-CD2 3.99Å; I6-F10 HydrophobicContact CG2-CE2 3.76Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.28Å; I6-F10 PolarHBondContact O-N 3.29Å; F10-N14 PolarHBondContact O-N 2.92Å; F10-N14 PolarHBondContact O-ND2 3.36Å |
| 11 | I | 70.4 | Confident | 60.6 | Low | 99 Ų | 99 | 129.6 Ų | 129.6 | 51% | 0.508 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.3 | -40.5 | 175.7 | -66 | 165.2 | 0 | 0 | 0 | 110.5 | S7 W8 F9 N14 F15 | S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.9Å; W8-I11 PolarHBondContact O-N 3.48Å; F9-I11 PolarHBondContact O-N 3.4Å; I11-N14 PolarHBondContact O-N 3.39Å; I11-F15 WeakPolarHBondContact O-CB 3.46Å; I11-F15 PolarHBondContact O-N 3.47Å; I11-F15 VanDerWaalsContact O-N 3.08Å |
| 12 | I | 67.9 | Low | 60.4 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 177.9 | -66.2 | 165.3 | 0 | 0 | 0 | 111.5 | W8 F9 F15 M16 | W8-I12 VanDerWaalsContact O-CG1 3.27Å; W8-I12 WeakPolarHBondContact O-CG1 2.99Å; W8-I12 PolarHBondContact O-N 2.04Å; F9-I12 PolarHBondContact O-N 3.26Å; I12-F15 PolarHBondContact O-N 3.46Å; I12-M16 PolarHBondContact O-N 3.03Å; I12-M16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 63.2 | Low | 59.9 | Low | 88 Ų | 88 | 125.5 Ų | 125.5 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.9 | -40.1 | 175.9 | -73 | 173.9 | 0 | 0 | 0 | 112.6 | F9 F15 E17 | F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.28Å; F9-L13 HydrophobicContact CZ-CD1 4.33Å; F9-L13 WeakPolarHBondContact O-CG 3.41Å; F9-L13 PolarHBondContact O-N 3.14Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.77Å; L13-E17 PolarHBondContact O-N 2.91Å |
| 14 | N | 58.9 | Low | 59.1 | Low | 110 Ų | 110 | 122.8 Ų | 122.8 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.1 | -28.3 | 174.3 | -85.7 | -91.6 | 0 | 0 | 0 | 112.9 | F10 I11 Y18 | F10-N14 PolarHBondContact O-N 2.92Å; F10-N14 PolarHBondContact O-ND2 3.36Å; I11-N14 PolarHBondContact O-N 3.39Å; N14-Y18 PolarHBondContact O-N 2.88Å |
| 15 | F | 58.7 | Low | 58.5 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 58% | 0.575 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.2 | -33.9 | 178.5 | -137.9 | -103.7 | 0 | 0 | 0 | 112.6 | I11 I12 L13 Y18 I19 | I11-F15 WeakPolarHBondContact O-CB 3.46Å; I11-F15 PolarHBondContact O-N 3.47Å; I11-F15 VanDerWaalsContact O-N 3.08Å; I12-F15 PolarHBondContact O-N 3.46Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.77Å; F15-Y18 PolarHBondContact O-N 3.31Å; F15-I19 HydrophobicContact CD1-CD1 3.53Å; F15-I19 HydrophobicContact CD1-CG1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.71Å; F15-I19 WeakPolarHBondContact O-CG1 3.15Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.15Å |
| 16 | M | 57.8 | Low | 58 | Low | 138 Ų | 138 | 123.3 Ų | 123.3 | 68% | 0.68 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.7 | -26.8 | 177 | -70.9 | -61.5 | -151 | 0 | 0 | 113.4 | I12 G20 | I12-M16 PolarHBondContact O-N 3.03Å; I12-M16 VanDerWaalsContact O-N 3.09Å; M16-G20 PolarHBondContact O-N 3.42Å |
| 17 | E | 52.2 | Low | 57.3 | Low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -29.5 | 172.4 | -158 | 166 | -163.8 | 0 | 0 | 112 | L13 | L13-E17 PolarHBondContact O-N 2.91Å |
| 18 | Y | 55.2 | Low | 56.2 | Low | 167 Ų | 167 | 131.3 Ų | 131.3 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.7 | -36.6 | 175.7 | -168.8 | -103.4 | 0 | 0 | 0 | 113.5 | N14 F15 | N14-Y18 PolarHBondContact O-N 2.88Å; F15-Y18 PolarHBondContact O-N 3.31Å |
| 19 | I | 54.3 | Low | 55.2 | Low | 98 Ų | 98 | 134 Ų | 134 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -78.5 | -20.4 | -179.7 | -63.3 | 172.4 | 0 | 0 | 0 | 112.1 | F15 S21 | F15-I19 HydrophobicContact CD1-CD1 3.53Å; F15-I19 HydrophobicContact CD1-CG1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.71Å; F15-I19 WeakPolarHBondContact O-CG1 3.15Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.15Å; I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 3.26Å |
| 20 | G | 50.3 | Low | 53.8 | Low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -15.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | M16 | M16-G20 PolarHBondContact O-N 3.42Š|
| 21 | S | 50.8 | Low | 52.9 | Low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -3.4 | -177.5 | -169.6 | 0 | 0 | 0 | 0 | 114.8 | I19 | I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 3.26Å |
| 22 | Q | 54.9 | Low | 51.5 | Low | 138 Ų | 138 | 147.8 Ų | 147.8 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -112.9 | -9 | -169.2 | -77.8 | -94.9 | 41.7 | 0 | 0 | 116.2 | ||
| 23 | N | 48.8 | Very low | 50.4 | Low | 157 Ų | 157 | 151.4 Ų | 151.4 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -147.4 | 85.8 | 178.3 | -79.4 | -51.4 | 0 | 0 | 0 | 115 | ||||
| 24 | A | 41.4 | Very low | 49.7 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -135.3 | 75.1 | 149 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | S | 46.1 | Very low | 49.3 | Very low | 93 Ų | 93 | 154.5 Ų | 154.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 32.4 | 121.6 | 138.5 | 44.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 26 | R | 50.8 | Low | 48.9 | Very low | 253 Ų | 253 | 154.1 Ų | 154.1 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | 74.8 | 110.6 | 126.8 | -68.1 | 175.9 | 175.4 | 150.1 | -1 | 117.9 | |||||
| 27 | G | 48.5 | Very low | 48.3 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 139 | 51.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 28 | R | 45.1 | Very low | 48.4 | Very low | 243 Ų | 243 | 149.7 Ų | 149.7 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -142.6 | 114.7 | 159 | -114.5 | 174.4 | -170.9 | 173.1 | 3 | 109.6 | Q30 | R28-Q30 PolarHBondContact O-N 2.9Š| ||
| 29 | R | 45.5 | Very low | 48.8 | Very low | 236 Ų | 236 | 150 Ų | 150 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -45.5 | 109.3 | 162.1 | -75.1 | 176.2 | -175.9 | 165.3 | 0.4 | 107.1 | R31 | R29-R31 PolarHBondContact O-N 2.89Š| ||
| 30 | Q | 43 | Very low | 49.6 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -61.9 | 91.1 | 157.2 | -82.5 | 179.3 | -30.8 | 0 | 0 | 105.8 | R28 R32 | R28-Q30 PolarHBondContact O-N 2.9Å; Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.86Å | ||
| 31 | R | 46.9 | Very low | 51.2 | Low | 213 Ų | 213 | 146.3 Ų | 146.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -62.7 | 107.3 | 151.3 | -79.3 | -172.1 | -179.5 | -178.7 | 1.1 | 103.8 | R29 M33 | R29-R31 PolarHBondContact O-N 2.89Å; R31-M33 VanDerWaalsContact C-N 3.28Å; R31-M33 PolarHBondContact O-N 3.28Å | ||
| 32 | R | 41.9 | Very low | 52.6 | Low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -47.4 | 103.9 | 156.4 | -77.8 | -178.8 | -171.6 | 166.6 | 2 | 105.6 | Q30 H34 | Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.86Å; R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 3.39Å; R32-H34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | M | 44.6 | Very low | 53.9 | Low | 171 Ų | 171 | 145.6 Ų | 145.6 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | -73.6 | 104.2 | 165.1 | -79.4 | -161.1 | 166.8 | 0 | 0 | 105.4 | R31 | R31-M33 VanDerWaalsContact C-N 3.28Å; R31-M33 PolarHBondContact O-N 3.28Å | ||
| 34 | H | 47.7 | Very low | 55.8 | Low | 135 Ų | 135 | 139.1 Ų | 139.1 | 63% | 0.625 | 72% | 0.723 | S | S | * | * | trans | -49.9 | 136.3 | 162.9 | -169.7 | -102.7 | 0 | 0 | 0 | 108.5 | R32 N36 | R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 3.39Å; R32-H34 VanDerWaalsContact O-N 3.11Å; H34-N36 PolarHBondContact O-N 2.94Å | ||
| 35 | P | 51.7 | Low | 58.3 | Low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -75.4 | 32.7 | -175 | 32.3 | -34.6 | 0 | 0 | 0 | 113 | ||
| 36 | N | 49.1 | Very low | 60.6 | Low | 122 Ų | 122 | 132.9 Ų | 132.9 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | trans | -157.7 | 60.4 | 176.1 | -153.3 | 5.8 | 0 | 0 | 0 | 110.6 | H34 | H34-N36 PolarHBondContact O-N 2.94Š| ||
| 37 | V | 44.9 | Very low | 62.6 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 66% | 0.655 | 65% | 0.652 | S | S | * | * | trans | -96 | 97.4 | 157.4 | -178.1 | 0 | 0 | 0 | 0 | 104.4 | Q39 | V37-Q39 PolarHBondContact O-N 3.46Š| ||
| 38 | S | 55.2 | Low | 64.7 | Low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | -45.6 | 114.6 | 170.4 | 4.6 | 0 | 0 | 0 | 0 | 107.5 | G40 | S38-G40 PolarHBondContact O-N 2.87Š| ||
| 39 | Q | 63.9 | Low | 66.9 | Low | 175 Ų | 175 | 113 Ų | 113 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | trans | -61.1 | 97.5 | 174.6 | -153.8 | 130.8 | -14.5 | 0 | 0 | 105.2 | V37 | V37-Q39 PolarHBondContact O-N 3.46Š| ||
| 40 | G | 71.3 | Confident | 68.9 | Low | 54 Ų | 54 | 109.8 Ų | 109.8 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 150.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S38 Q42 | S38-G40 PolarHBondContact O-N 2.87Å; G40-Q42 PolarHBondContact O-N 2.89Å; G40-Q42 VanDerWaalsContact O-N 3.14Å |
| 41 | C | 82.1 | Confident | 71 | Confident | 34 Ų | 34 | 109.8 Ų | 109.8 | 23% | 0.23 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -54.7 | 122.6 | -177.9 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | C45 C48 | C41-C45 HydrophobicContact CB-CB 3.69Å; C41-C48 WeakPolarHBondContact CA-SG 3.05Å; C41-C48 HydrophobicContact CB-CB 3.67Å; C41-C48 WeakPolarHBondContact CB-SG 3.29Å; C41-C48 WeakPolarHBondContact SG-CB 3.43Å; C41-C48 PolarHBondContact SG-N 3.11Å; C41-C48 CovalentContact SG-SG 2.03Å; C41-C48 PolarHBondContact SG-SG 3.16Å |
| 42 | Q | 81.9 | Confident | 73.1 | Confident | 163 Ų | 163 | 104 Ų | 104 | 76% | 0.762 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -77.2 | 162.8 | 179.8 | -67.1 | -179.5 | -22.7 | 0 | 0 | 110.9 | G40 C45 | G40-Q42 PolarHBondContact O-N 2.89Å; G40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-C45 WeakPolarHBondContact O-CB 3.38Å |
| 43 | G | 81.3 | Confident | 75.5 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 67% | 0.67 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 42.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C45 | G43-C45 PolarHBondContact O-N 3.42Š|
| 44 | G | 89.4 | Confident | 77.9 | Confident | 21 Ų | 21 | 85.9 Ų | 85.9 | 22% | 0.216 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 9.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K58 L61 | G44-K58 VanDerWaalsContact O-CB 3.24Å; G44-K58 WeakPolarHBondContact O-CB 3.45Å; G44-K58 WeakPolarHBondContact O-CG 3.47Å; G44-K58 PolarHBondContact O-N 2.94Å; G44-L61 VanDerWaalsContact O-CD1 3.29Å; G44-L61 WeakPolarHBondContact O-CD1 3.47Å |
| 45 | C | 94.1 | Very high | 80 | Confident | 6 Ų | 6 | 83.7 Ų | 83.7 | 4% | 0.041 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 140.9 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | C41 Q42 G43 T47 C54 K58 | C41-C45 HydrophobicContact CB-CB 3.69Å; Q42-C45 WeakPolarHBondContact O-CB 3.38Å; G43-C45 PolarHBondContact O-N 3.42Å; C45-T47 VanDerWaalsContact SG-C 3.52Å; C45-T47 PolarHBondContact SG-O 3.1Å; C45-C54 VanDerWaalsContact CA-SG 3.54Å; C45-C54 HydrophobicContact CB-CB 3.82Å; C45-C54 WeakPolarHBondContact CB-SG 3.33Å; C45-C54 WeakPolarHBondContact SG-CA 3.26Å; C45-C54 WeakPolarHBondContact SG-CB 3.4Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 3.47Å; C45-K58 WeakPolarHBondContact O-CE 3.09Å |
| 46 | A | 92.8 | Very high | 82 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S56 K58 | A46-S56 WeakPolarHBondContact CB-O 2.96Å; A46-S56 PolarHBondContact N-O 3.38Å; A46-K58 HydrophobicContact CB-CG 4.2Å |
| 47 | T | 92.9 | Very high | 84.1 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 44% | 0.436 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.6 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | C45 L55 S56 | C45-T47 VanDerWaalsContact SG-C 3.52Å; C45-T47 PolarHBondContact SG-O 3.1Å; T47-L55 WeakPolarHBondContact O-CA 3.2Å; T47-L55 WeakPolarHBondContact O-CB 3.4Å; T47-L55 PolarHBondContact O-N 2.92Å; T47-S56 PolarHBondContact N-O 2.68Å; T47-S56 PolarHBondContact N-OG 2.92Å; T47-S56 PolarHBondContact O-N 2.86Å; T47-S56 VanDerWaalsContact O-N 3.15Å; T47-S56 WeakPolarHBondContact OG1-CB 3.5Å; T47-S56 PolarHBondContact OG1-N 2.93Å; T47-S56 PolarHBondContact OG1-OG 2.01Å |
| 48 | C | 93.4 | Very high | 86.4 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 163.7 | -173.8 | 57.1 | 0 | 0 | 0 | 0 | 111 | C41 G53 | C41-C48 WeakPolarHBondContact CA-SG 3.05Å; C41-C48 HydrophobicContact CB-CB 3.67Å; C41-C48 WeakPolarHBondContact CB-SG 3.29Å; C41-C48 WeakPolarHBondContact SG-CB 3.43Å; C41-C48 PolarHBondContact SG-N 3.11Å; C41-C48 CovalentContact SG-SG 2.03Å; C41-C48 PolarHBondContact SG-SG 3.16Å; C48-G53 CarbonylContact C-O 3.56Å; C48-G53 VanDerWaalsContact CA-O 3.3Å; C48-G53 WeakPolarHBondContact CA-O 3.5Å |
| 49 | S | 91.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.2 | 173.1 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | Y51 N52 G53 | S49-Y51 PolarHBondContact O-N 3.32Å; S49-N52 WeakPolarHBondContact OG-CB 3.36Å; S49-N52 PolarHBondContact OG-N 3.25Å; S49-G53 PolarHBondContact N-O 3.47Å; S49-G53 WeakPolarHBondContact O-CA 3.23Å; S49-G53 PolarHBondContact O-N 3.37Å; S49-G53 VanDerWaalsContact O-O 3.13Å |
| 50 | D | 87.1 | Confident | 89.4 | Confident | 167 Ų | 167 | 77.2 Ų | 77.2 | 89% | 0.893 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -28.5 | -176.9 | -58.7 | -37.4 | 0 | 0 | 0 | 112.9 | ||
| 51 | Y | 88.1 | Confident | 90.5 | Very high | 191 Ų | 191 | 76.4 Ų | 76.4 | 75% | 0.749 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -42.8 | -175.5 | -65.2 | -79.6 | 0 | 0 | 0 | 114.1 | S49 | S49-Y51 PolarHBondContact O-N 3.32Š|
| 52 | N | 91.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 75.8 Ų | 75.8 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.2 | -175.8 | -54.7 | -49.3 | 0 | 0 | 0 | 112.3 | S49 L55 I73 G74 | S49-N52 WeakPolarHBondContact OG-CB 3.36Å; S49-N52 PolarHBondContact OG-N 3.25Å; N52-L55 HydrophobicContact CB-CD2 4.01Å; N52-I73 CarbonylContact O-C 3.52Å; N52-I73 WeakPolarHBondContact O-CA 3.48Å; N52-G74 PolarHBondContact O-N 3.29Å |
| 53 | G | 92.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 69.2 Ų | 69.2 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | -135.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C48 S49 | C48-G53 CarbonylContact C-O 3.56Å; C48-G53 VanDerWaalsContact CA-O 3.3Å; C48-G53 WeakPolarHBondContact CA-O 3.5Å; S49-G53 PolarHBondContact N-O 3.47Å; S49-G53 WeakPolarHBondContact O-CA 3.23Å; S49-G53 PolarHBondContact O-N 3.37Å; S49-G53 VanDerWaalsContact O-O 3.13Å |
| 54 | C | 93.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 138.4 | 178.5 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | C45 S56 F63 G74 C76 | C45-C54 VanDerWaalsContact CA-SG 3.54Å; C45-C54 HydrophobicContact CB-CB 3.82Å; C45-C54 WeakPolarHBondContact CB-SG 3.33Å; C45-C54 WeakPolarHBondContact SG-CA 3.26Å; C45-C54 WeakPolarHBondContact SG-CB 3.4Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 3.47Å; C54-S56 VanDerWaalsContact SG-C 3.6Å; C54-S56 PolarHBondContact SG-O 3.11Å; C54-F63 VanDerWaalsContact O-CE2 3.3Å; C54-F63 WeakPolarHBondContact O-CE2 3.26Å; C54-G74 WeakPolarHBondContact CA-O 3.38Å; C54-G74 VanDerWaalsContact CB-O 3.24Å; C54-G74 WeakPolarHBondContact CB-O 3.49Å; C54-G74 PolarHBondContact N-O 2.96Å; C54-G74 WeakPolarHBondContact O-CA 3.3Å; C54-C76 PolarHBondContact SG-SG 3.35Å |
| 55 | L | 92.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 47% | 0.466 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -35.9 | 176.3 | -56.7 | 177.7 | 0 | 0 | 0 | 111.7 | T47 N52 | T47-L55 WeakPolarHBondContact O-CA 3.2Å; T47-L55 WeakPolarHBondContact O-CB 3.4Å; T47-L55 PolarHBondContact O-N 2.92Å; N52-L55 HydrophobicContact CB-CD2 4.01Å |
| 56 | S | 92.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 74.3 Ų | 74.3 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.6 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | A46 T47 C54 | A46-S56 WeakPolarHBondContact CB-O 2.96Å; A46-S56 PolarHBondContact N-O 3.38Å; T47-S56 PolarHBondContact N-O 2.68Å; T47-S56 PolarHBondContact N-OG 2.92Å; T47-S56 PolarHBondContact O-N 2.86Å; T47-S56 VanDerWaalsContact O-N 3.15Å; T47-S56 WeakPolarHBondContact OG1-CB 3.5Å; T47-S56 PolarHBondContact OG1-N 2.93Å; T47-S56 PolarHBondContact OG1-OG 2.01Å; C54-S56 VanDerWaalsContact SG-C 3.6Å; C54-S56 PolarHBondContact SG-O 3.11Å |
| 57 | C | 94.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 79.8 Ų | 79.8 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 150.4 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L61 C76 | C57-L61 HydrophobicContact CB-CB 4.07Å; C57-C76 WeakPolarHBondContact CA-SG 3.27Å; C57-C76 HydrophobicContact CB-CB 3.89Å; C57-C76 WeakPolarHBondContact CB-SG 3.39Å; C57-C76 VanDerWaalsContact SG-CA 3.53Å; C57-C76 WeakPolarHBondContact SG-CB 3.49Å; C57-C76 CovalentContact SG-SG 2.03Å; C57-C76 PolarHBondContact SG-SG 2.76Å |
| 58 | K | 92.7 | Very high | 92.4 | Very high | 107 Ų | 107 | 81.1 Ų | 81.1 | 47% | 0.465 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 156 | 165.7 | -70.4 | 176.6 | -172 | -179.8 | 0 | 110.5 | G44 C45 A46 L61 | G44-K58 VanDerWaalsContact O-CB 3.24Å; G44-K58 WeakPolarHBondContact O-CB 3.45Å; G44-K58 WeakPolarHBondContact O-CG 3.47Å; G44-K58 PolarHBondContact O-N 2.94Å; C45-K58 WeakPolarHBondContact O-CE 3.09Å; A46-K58 HydrophobicContact CB-CG 4.2Å; K58-L61 HydrophobicContact CB-CD1 4.34Å; K58-L61 PolarHBondContact O-N 3.01Å |
| 59 | P | 91.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 81.5 Ų | 81.5 | 75% | 0.753 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 147.3 | 177.7 | -26.3 | 34.3 | 0 | 0 | 0 | 112.2 | L61 | P59-L61 PolarHBondContact O-N 3.39Š|
| 60 | R | 91.2 | Very high | 92.1 | Very high | 209 Ų | 209 | 88.9 Ų | 88.9 | 79% | 0.789 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -14.2 | -177.5 | -50.3 | 178.7 | 174.6 | 157.4 | -1.2 | 116.8 | ||
| 61 | L | 95.1 | Very high | 92.1 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 20% | 0.199 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 155.3 | 174 | -59.7 | 177.5 | 0 | 0 | 0 | 111.1 | G44 C57 K58 P59 C76 L77 N93 | G44-L61 VanDerWaalsContact O-CD1 3.29Å; G44-L61 WeakPolarHBondContact O-CD1 3.47Å; C57-L61 HydrophobicContact CB-CB 4.07Å; K58-L61 HydrophobicContact CB-CD1 4.34Å; K58-L61 PolarHBondContact O-N 3.01Å; P59-L61 PolarHBondContact O-N 3.39Å; L61-C76 HydrophobicContact CB-CB 4.22Å; L61-C76 HydrophobicContact CD1-CB 4.02Å; L61-L77 WeakPolarHBondContact CA-O 3.27Å; L61-N93 WeakPolarHBondContact O-CB 3.34Å; L61-N93 PolarHBondContact O-ND2 3.14Å |
| 62 | F | 96.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 83.4 Ų | 83.4 | 9% | 0.088 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.6 | 177.1 | -65.1 | -91.4 | 0 | 0 | 0 | 110.8 | C76 L77 R88 N93 C95 | F62-C76 WeakPolarHBondContact O-CA 3.49Å; F62-L77 PolarHBondContact N-O 3.19Å; F62-L77 PolarHBondContact O-N 2.64Å; F62-R88 HydrophobicContact CE1-CG 4.37Å; F62-N93 CarbonylContact C-O 3.55Å; F62-N93 WeakPolarHBondContact CA-O 3.47Å; F62-N93 HydrophobicContact CD1-CB 3.51Å; F62-N93 HydrophobicContact CE1-CB 3.71Å; F62-N93 HydrophobicContact CG-CB 4.12Å; F62-N93 HydrophobicContact CZ-CB 4.46Å; F62-C95 VanDerWaalsContact CB-SG 3.54Å |
| 63 | F | 95.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 80.9 Ų | 80.9 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129 | 172.5 | -173.1 | -93.3 | 0 | 0 | 0 | 110.5 | C54 L65 I92 N93 K94 C95 | C54-F63 VanDerWaalsContact O-CE2 3.3Å; C54-F63 WeakPolarHBondContact O-CE2 3.26Å; F63-L65 HydrophobicContact CE1-CD2 3.7Å; F63-L65 HydrophobicContact CE1-CG 3.78Å; F63-L65 HydrophobicContact CZ-CD2 3.84Å; F63-L65 HydrophobicContact CZ-CG 4.42Å; F63-I92 HydrophobicContact CB-CD1 3.74Å; F63-I92 HydrophobicContact CB-CG1 4.13Å; F63-I92 HydrophobicContact CD1-CD1 4.46Å; F63-I92 HydrophobicContact CD2-CD1 4.34Å; F63-I92 HydrophobicContact CG-CD1 3.95Å; F63-N93 PolarHBondContact N-O 3.5Å; F63-K94 WeakPolarHBondContact O-CA 3.48Å; F63-K94 WeakPolarHBondContact O-CG 3.27Å; F63-C95 PolarHBondContact O-N 3.4Å |
| 64 | V | 95.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 80.1 Ų | 80.1 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.9 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 109.6 | G74 V75 L77 P81 C95 | V64-G74 WeakPolarHBondContact O-CA 3.24Å; V64-V75 HydrophobicContact CG1-CB 3.92Å; V64-V75 WeakPolarHBondContact CG1-O 3.49Å; V64-V75 PolarHBondContact N-O 2.97Å; V64-V75 PolarHBondContact O-N 2.97Å; V64-L77 HydrophobicContact CG1-CD1 3.7Å; V64-L77 HydrophobicContact CG1-CG 3.96Å; V64-P81 HydrophobicContact CG2-CG 4.5Å; V64-C95 HydrophobicContact CB-CB 4.36Å; V64-C95 HydrophobicContact CG2-CB 4.39Å |
| 65 | L | 93.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 81.5 Ų | 81.5 | 44% | 0.44 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.3 | 171 | -70.8 | 170.8 | 0 | 0 | 0 | 108.6 | F63 I73 | F63-L65 HydrophobicContact CE1-CD2 3.7Å; F63-L65 HydrophobicContact CE1-CG 3.78Å; F63-L65 HydrophobicContact CZ-CD2 3.84Å; F63-L65 HydrophobicContact CZ-CG 4.42Å; L65-I73 WeakPolarHBondContact CA-O 3.26Å |
| 66 | E | 92.6 | Very high | 92.6 | Very high | 100 Ų | 100 | 78 Ų | 78 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.6 | 176.9 | -169.7 | 168.1 | -174.6 | 0 | 0 | 109.7 | I68 Q72 I73 V75 | E66-I68 HydrophobicContact CG-CG1 4.38Å; E66-Q72 WeakPolarHBondContact O-CA 3.49Å; E66-I73 HydrophobicContact CB-CG1 4.19Å; E66-I73 PolarHBondContact N-O 2.89Å; E66-I73 PolarHBondContact O-N 3.39Å; E66-V75 HydrophobicContact CB-CG2 4.29Å |
| 67 | R | 92.3 | Very high | 92.7 | Very high | 168 Ų | 168 | 79 Ų | 79 | 63% | 0.634 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.4 | 179.2 | 178.3 | -176.6 | -84.2 | -100.4 | 5.4 | 109.3 | G69 K71 | R67-G69 WeakPolarHBondContact CG-O 3.41Å; R67-K71 CarbonylContact C-O 3.6Å; R67-K71 WeakPolarHBondContact CA-O 3.49Å |
| 68 | I | 88.4 | Confident | 92.8 | Very high | 99 Ų | 99 | 82.3 Ų | 82.3 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 98.2 | 175.5 | -54.8 | 175.9 | 0 | 0 | 0 | 107.6 | E66 M70 K71 I73 | E66-I68 HydrophobicContact CG-CG1 4.38Å; I68-M70 PolarHBondContact O-N 2.93Å; I68-K71 PolarHBondContact N-O 3.04Å; I68-K71 PolarHBondContact O-N 3.12Å; I68-I73 HydrophobicContact CD1-CD1 3.57Å; I68-I73 HydrophobicContact CD1-CG1 4.13Å |
| 69 | G | 89.2 | Confident | 92.9 | Very high | 64 Ų | 64 | 81.3 Ų | 81.3 | 66% | 0.66 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -115.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R67 | R67-G69 WeakPolarHBondContact CG-O 3.41Š|
| 70 | M | 88.8 | Confident | 93.1 | Very high | 189 Ų | 189 | 77.2 Ų | 77.2 | 93% | 0.931 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.9 | 176.4 | -60.8 | -177 | -175.7 | 0 | 0 | 113.4 | I68 | I68-M70 PolarHBondContact O-N 2.93Š|
| 71 | K | 88.9 | Confident | 93.2 | Very high | 145 Ų | 145 | 69.6 Ų | 69.6 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 144.3 | -178.8 | -63.1 | -176.1 | 178.9 | -177.4 | 0 | 110.6 | R67 I68 | R67-K71 CarbonylContact C-O 3.6Å; R67-K71 WeakPolarHBondContact CA-O 3.49Å; I68-K71 PolarHBondContact N-O 3.04Å; I68-K71 PolarHBondContact O-N 3.12Å |
| 72 | Q | 92.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.8 | 165.8 | -70.1 | -175.3 | 17 | 0 | 0 | 108.2 | E66 | E66-Q72 WeakPolarHBondContact O-CA 3.49Å |
| 73 | I | 93.2 | Very high | 93 | Very high | 41 Ų | 41 | 73.1 Ų | 73.1 | 21% | 0.21 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.7 | 178.4 | 61 | 164.2 | 0 | 0 | 0 | 109.9 | N52 L65 E66 I68 V75 | N52-I73 CarbonylContact O-C 3.52Å; N52-I73 WeakPolarHBondContact O-CA 3.48Å; L65-I73 WeakPolarHBondContact CA-O 3.26Å; E66-I73 HydrophobicContact CB-CG1 4.19Å; E66-I73 PolarHBondContact N-O 2.89Å; E66-I73 PolarHBondContact O-N 3.39Å; I68-I73 HydrophobicContact CD1-CD1 3.57Å; I68-I73 HydrophobicContact CD1-CG1 4.13Å; I73-V75 HydrophobicContact CD1-CG2 4.15Å; I73-V75 HydrophobicContact CG1-CG2 4.25Å |
| 74 | G | 93.1 | Very high | 93 | Very high | 5 Ų | 5 | 76 Ų | 76 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N52 C54 V64 | N52-G74 PolarHBondContact O-N 3.29Å; C54-G74 WeakPolarHBondContact CA-O 3.38Å; C54-G74 VanDerWaalsContact CB-O 3.24Å; C54-G74 WeakPolarHBondContact CB-O 3.49Å; C54-G74 PolarHBondContact N-O 2.96Å; C54-G74 WeakPolarHBondContact O-CA 3.3Å; V64-G74 WeakPolarHBondContact O-CA 3.24Å |
| 75 | V | 93.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.1 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V64 E66 I73 L77 | V64-V75 HydrophobicContact CG1-CB 3.92Å; V64-V75 WeakPolarHBondContact CG1-O 3.49Å; V64-V75 PolarHBondContact N-O 2.97Å; V64-V75 PolarHBondContact O-N 2.97Å; E66-V75 HydrophobicContact CB-CG2 4.29Å; I73-V75 HydrophobicContact CD1-CG2 4.15Å; I73-V75 HydrophobicContact CG1-CG2 4.25Å; V75-L77 HydrophobicContact CG1-CD2 4.02Å; V75-L77 HydrophobicContact CG1-CG 4.39Å |
| 76 | C | 95.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 74.5 Ų | 74.5 | 10% | 0.095 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.1 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | C54 C57 L61 F62 | C54-C76 PolarHBondContact SG-SG 3.35Å; C57-C76 WeakPolarHBondContact CA-SG 3.27Å; C57-C76 HydrophobicContact CB-CB 3.89Å; C57-C76 WeakPolarHBondContact CB-SG 3.39Å; C57-C76 VanDerWaalsContact SG-CA 3.53Å; C57-C76 WeakPolarHBondContact SG-CB 3.49Å; C57-C76 CovalentContact SG-SG 2.03Å; C57-C76 PolarHBondContact SG-SG 2.76Å; L61-C76 HydrophobicContact CB-CB 4.22Å; L61-C76 HydrophobicContact CD1-CB 4.02Å; F62-C76 WeakPolarHBondContact O-CA 3.49Å |
| 77 | L | 95.2 | Very high | 93.3 | Very high | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.5 | -179.2 | -59.8 | 178.8 | 0 | 0 | 0 | 111.3 | L61 F62 V64 V75 S79 | L61-L77 WeakPolarHBondContact CA-O 3.27Å; F62-L77 PolarHBondContact N-O 3.19Å; F62-L77 PolarHBondContact O-N 2.64Å; V64-L77 HydrophobicContact CG1-CD1 3.7Å; V64-L77 HydrophobicContact CG1-CG 3.96Å; V75-L77 HydrophobicContact CG1-CD2 4.02Å; V75-L77 HydrophobicContact CG1-CG 4.39Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 WeakPolarHBondContact CB-O 2.98Å |
| 78 | S | 94.7 | Very high | 93.4 | Very high | 94 Ų | 94 | 71 Ų | 71 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -73.6 | -22.8 | 172.6 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 79 | S | 94.7 | Very high | 93.4 | Very high | 85 Ų | 85 | 72 Ų | 72 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -148.8 | 147.8 | 177.9 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | L77 | L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 WeakPolarHBondContact CB-O 2.98Å |
| 80 | C | 95.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 75.1 Ų | 75.1 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 146 | -179.1 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | G86 C95 | C80-G86 VanDerWaalsContact SG-CA 3.54Å; C80-C95 WeakPolarHBondContact CA-SG 3.34Å; C80-C95 HydrophobicContact CB-CB 3.81Å; C80-C95 WeakPolarHBondContact CB-SG 3.28Å; C80-C95 WeakPolarHBondContact SG-CA 3.28Å; C80-C95 WeakPolarHBondContact SG-CB 3.4Å; C80-C95 CovalentContact SG-SG 2.04Å; C80-C95 PolarHBondContact SG-SG 3.47Å |
| 81 | P | 94.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 73.6 Ų | 73.6 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68 | 165.4 | 177.3 | 29.8 | -35.4 | 0 | 0 | 0 | 111.6 | V64 G83 Y84 | V64-P81 HydrophobicContact CG2-CG 4.5Å; P81-G83 PolarHBondContact O-N 3.12Å; P81-Y84 HydrophobicContact CG-CD2 3.98Å; P81-Y84 HydrophobicContact CG-CG 4.29Å; P81-Y84 WeakPolarHBondContact O-CB 3.47Å; P81-Y84 PolarHBondContact O-N 3.41Å |
| 82 | S | 93 | Very high | 93.4 | Very high | 113 Ų | 113 | 69.7 Ų | 69.7 | 79% | 0.79 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 137.4 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 112 | Y84 | S82-Y84 VanDerWaalsContact C-N 3.31Š|
| 83 | G | 93.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 66.2 Ų | 66.2 | 19% | 0.186 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 5.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P81 C98 D103 | P81-G83 PolarHBondContact O-N 3.12Å; G83-C98 VanDerWaalsContact C-SG 3.53Å; G83-C98 WeakPolarHBondContact O-CB 2.82Å; G83-C98 PolarHBondContact O-N 3.29Å; G83-C98 PolarHBondContact O-SG 3.32Å; G83-D103 WeakPolarHBondContact CA-O 3.49Å |
| 84 | Y | 95.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 68.3 Ų | 68.3 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.2 | 174.4 | -67.1 | -107.8 | 0 | 0 | 0 | 111.2 | P81 S82 C95 T96 K97 | P81-Y84 HydrophobicContact CG-CD2 3.98Å; P81-Y84 HydrophobicContact CG-CG 4.29Å; P81-Y84 WeakPolarHBondContact O-CB 3.47Å; P81-Y84 PolarHBondContact O-N 3.41Å; S82-Y84 VanDerWaalsContact C-N 3.31Å; Y84-C95 HydrophobicContact CD1-CB 4.15Å; Y84-C95 HydrophobicContact CG-CB 4.46Å; Y84-T96 CarbonylContact C-O 3.56Å; Y84-T96 WeakPolarHBondContact CA-O 3.47Å; Y84-T96 VanDerWaalsContact CD1-C 3.47Å; Y84-K97 HydrophobicContact CD1-CB 3.99Å; Y84-K97 HydrophobicContact CE1-CB 3.67Å; Y84-K97 HydrophobicContact CE1-CG 4.13Å; Y84-K97 HydrophobicContact CE2-CG 4.29Å |
| 85 | Y | 96.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 11% | 0.114 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.8 | 171.3 | 70.4 | -80.6 | 0 | 0 | 0 | 110.5 | T87 T96 C105 N107 K108 | Y85-T87 WeakPolarHBondContact CE2-OG1 3.5Å; Y85-T96 WeakPolarHBondContact CD1-O 3.36Å; Y85-T96 HydrophobicContact CE1-CG2 3.76Å; Y85-T96 PolarHBondContact N-O 3.2Å; Y85-T96 PolarHBondContact O-N 3.49Å; Y85-T96 WeakPolarHBondContact OH-CG2 3.37Å; Y85-C105 WeakPolarHBondContact CD1-SG 3.47Å; Y85-N107 HydrophobicContact CD2-CB 4.45Å; Y85-K108 WeakPolarHBondContact OH-CB 3.39Å |
| 86 | G | 95.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C80 | C80-G86 VanDerWaalsContact SG-CA 3.54Å |
| 87 | T | 95 | Very high | 93.8 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 17% | 0.172 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.5 | 169.7 | -51 | 0 | 0 | 0 | 0 | 109.4 | Y85 Y89 N93 K94 T96 | Y85-T87 WeakPolarHBondContact CE2-OG1 3.5Å; T87-Y89 HydrophobicContact CG2-CD2 4.12Å; T87-Y89 HydrophobicContact CG2-CE1 4Å; T87-Y89 HydrophobicContact CG2-CE2 3.52Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.46Å; T87-N93 CarbonylContact O-C 3.53Å; T87-N93 VanDerWaalsContact O-CA 3.28Å; T87-N93 WeakPolarHBondContact O-CA 3.29Å; T87-K94 PolarHBondContact N-O 3.43Å; T87-K94 PolarHBondContact O-N 3.44Å; T87-T96 PolarHBondContact OG1-OG1 3.04Å; T87-T96 VanDerWaalsContact OG1-OG1 3.11Å |
| 88 | R | 92.9 | Very high | 93.8 | Very high | 168 Ų | 168 | 72.2 Ų | 72.2 | 63% | 0.634 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 103.7 | 178.9 | -59 | -176.3 | 177.6 | -105.4 | 0.1 | 108.8 | F62 N93 | F62-R88 HydrophobicContact CE1-CG 4.37Å; R88-N93 WeakPolarHBondContact CA-OD1 3.35Å; R88-N93 WeakPolarHBondContact CB-OD1 3.31Å; R88-N93 VanDerWaalsContact CG-OD1 3.29Å; R88-N93 WeakPolarHBondContact CG-OD1 3.39Å |
| 89 | Y | 90.2 | Very high | 93.8 | Very high | 119 Ų | 119 | 72.5 Ų | 72.5 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | trans | -89.4 | 162.6 | 170.5 | -58.9 | -83.8 | 0 | 0 | 0 | 109.4 | T87 D91 I92 K94 | T87-Y89 HydrophobicContact CG2-CD2 4.12Å; T87-Y89 HydrophobicContact CG2-CE1 4Å; T87-Y89 HydrophobicContact CG2-CE2 3.52Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.46Å; Y89-D91 PolarHBondContact O-N 3.4Å; Y89-I92 WeakPolarHBondContact CA-O 3.32Å; Y89-I92 WeakPolarHBondContact CB-O 3.06Å; Y89-I92 HydrophobicContact CD2-CG2 4.44Å; Y89-I92 WeakPolarHBondContact CD2-O 3.18Å; Y89-I92 PolarHBondContact N-O 3.08Å; Y89-K94 HydrophobicContact CE2-CB 4.33Å | ||
| 90 | P | 89.3 | Confident | 93.8 | Very high | 129 Ų | 129 | 72.5 Ų | 72.5 | 84% | 0.838 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -52 | -37.9 | 177.3 | -28.4 | 36.6 | 0 | 0 | 0 | 113.2 | ||
| 91 | D | 85.8 | Confident | 93.8 | Very high | 158 Ų | 158 | 73 Ų | 73 | 85% | 0.845 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -103.2 | -22.3 | -172.1 | -50 | -52.9 | 0 | 0 | 0 | 113.9 | Y89 | Y89-D91 PolarHBondContact O-N 3.4Š|
| 92 | I | 90.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 71 Ų | 71 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | trans | -155.4 | 139.9 | -175.1 | -167.6 | 167 | 0 | 0 | 0 | 111.9 | F63 Y89 | F63-I92 HydrophobicContact CB-CD1 3.74Å; F63-I92 HydrophobicContact CB-CG1 4.13Å; F63-I92 HydrophobicContact CD1-CD1 4.46Å; F63-I92 HydrophobicContact CD2-CD1 4.34Å; F63-I92 HydrophobicContact CG-CD1 3.95Å; Y89-I92 WeakPolarHBondContact CA-O 3.32Å; Y89-I92 WeakPolarHBondContact CB-O 3.06Å; Y89-I92 HydrophobicContact CD2-CG2 4.44Å; Y89-I92 WeakPolarHBondContact CD2-O 3.18Å; Y89-I92 PolarHBondContact N-O 3.08Å | ||
| 93 | N | 94.9 | Very high | 94 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.9 | 165 | -42.2 | -65.2 | 0 | 0 | 0 | 108.3 | L61 F62 F63 T87 R88 | L61-N93 WeakPolarHBondContact O-CB 3.34Å; L61-N93 PolarHBondContact O-ND2 3.14Å; F62-N93 CarbonylContact C-O 3.55Å; F62-N93 WeakPolarHBondContact CA-O 3.47Å; F62-N93 HydrophobicContact CD1-CB 3.51Å; F62-N93 HydrophobicContact CE1-CB 3.71Å; F62-N93 HydrophobicContact CG-CB 4.12Å; F62-N93 HydrophobicContact CZ-CB 4.46Å; F63-N93 PolarHBondContact N-O 3.5Å; T87-N93 CarbonylContact O-C 3.53Å; T87-N93 VanDerWaalsContact O-CA 3.28Å; T87-N93 WeakPolarHBondContact O-CA 3.29Å; R88-N93 WeakPolarHBondContact CA-OD1 3.35Å; R88-N93 WeakPolarHBondContact CB-OD1 3.31Å; R88-N93 VanDerWaalsContact CG-OD1 3.29Å; R88-N93 WeakPolarHBondContact CG-OD1 3.39Å |
| 94 | K | 95.1 | Very high | 94 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.9 | -177.5 | -175.6 | 179.1 | 177.6 | 179.7 | 0 | 110.7 | F63 T87 Y89 | F63-K94 WeakPolarHBondContact O-CA 3.48Å; F63-K94 WeakPolarHBondContact O-CG 3.27Å; T87-K94 PolarHBondContact N-O 3.43Å; T87-K94 PolarHBondContact O-N 3.44Å; Y89-K94 HydrophobicContact CE2-CB 4.33Å |
| 95 | C | 95.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.9 | 168.7 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | F62 F63 V64 C80 Y84 | F62-C95 VanDerWaalsContact CB-SG 3.54Å; F63-C95 PolarHBondContact O-N 3.4Å; V64-C95 HydrophobicContact CB-CB 4.36Å; V64-C95 HydrophobicContact CG2-CB 4.39Å; C80-C95 WeakPolarHBondContact CA-SG 3.34Å; C80-C95 HydrophobicContact CB-CB 3.81Å; C80-C95 WeakPolarHBondContact CB-SG 3.28Å; C80-C95 WeakPolarHBondContact SG-CA 3.28Å; C80-C95 WeakPolarHBondContact SG-CB 3.4Å; C80-C95 CovalentContact SG-SG 2.04Å; C80-C95 PolarHBondContact SG-SG 3.47Å; Y84-C95 HydrophobicContact CD1-CB 4.15Å; Y84-C95 HydrophobicContact CG-CB 4.46Å |
| 96 | T | 95.1 | Very high | 94 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.7 | 179 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | Y84 Y85 T87 | Y84-T96 CarbonylContact C-O 3.56Å; Y84-T96 WeakPolarHBondContact CA-O 3.47Å; Y84-T96 VanDerWaalsContact CD1-C 3.47Å; Y85-T96 WeakPolarHBondContact CD1-O 3.36Å; Y85-T96 HydrophobicContact CE1-CG2 3.76Å; Y85-T96 PolarHBondContact N-O 3.2Å; Y85-T96 PolarHBondContact O-N 3.49Å; Y85-T96 WeakPolarHBondContact OH-CG2 3.37Å; T87-T96 PolarHBondContact OG1-OG1 3.04Å; T87-T96 VanDerWaalsContact OG1-OG1 3.11Å |
| 97 | K | 95 | Very high | 94 | Very high | 143 Ų | 143 | 73.5 Ų | 73.5 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 140.9 | -177.7 | -163.7 | 176.2 | -179.3 | 175.6 | 0 | 110.9 | Y84 | Y84-K97 HydrophobicContact CD1-CB 3.99Å; Y84-K97 HydrophobicContact CE1-CB 3.67Å; Y84-K97 HydrophobicContact CE1-CG 4.13Å; Y84-K97 HydrophobicContact CE2-CG 4.29Å |
| 98 | C | 96.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 78.8 Ų | 78.8 | 10% | 0.095 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 164.6 | 169.7 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | G83 C102 C105 | G83-C98 VanDerWaalsContact C-SG 3.53Å; G83-C98 WeakPolarHBondContact O-CB 2.82Å; G83-C98 PolarHBondContact O-N 3.29Å; G83-C98 PolarHBondContact O-SG 3.32Å; C98-C102 HydrophobicContact CB-CB 4.37Å; C98-C105 WeakPolarHBondContact CA-SG 3.39Å; C98-C105 HydrophobicContact CB-CB 3.92Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 WeakPolarHBondContact SG-CB 3.47Å; C98-C105 PolarHBondContact SG-N 3.23Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 3.28Å |
| 99 | K | 95.2 | Very high | 93.8 | Very high | 99 Ų | 99 | 76 Ų | 76 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 161 | 173.9 | -68.1 | 179.1 | 172.9 | 169.4 | 0 | 111.8 | D101 C102 K108 | K99-D101 VanDerWaalsContact C-N 3.26Å; K99-D101 WeakPolarHBondContact CB-OD1 3.5Å; K99-D101 PolarHBondContact O-N 3.41Å; K99-C102 HydrophobicContact CB-CB 4.47Å; K99-C102 PolarHBondContact O-N 3.49Å; K99-C102 VanDerWaalsContact O-N 3.14Å; K99-K108 WeakPolarHBondContact CE-O 3.29Å |
| 100 | A | 93.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 74.9 Ų | 74.9 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K115 | A100-K115 WeakPolarHBondContact O-CD 3.36Å; A100-K115 WeakPolarHBondContact O-CE 3.45Å; A100-K115 PolarHBondContact O-NZ 3.47Å |
| 101 | D | 95.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.3 | 178.8 | 55.2 | -28.7 | 0 | 0 | 0 | 113.5 | K99 K115 F118 C125 | K99-D101 VanDerWaalsContact C-N 3.26Å; K99-D101 WeakPolarHBondContact CB-OD1 3.5Å; K99-D101 PolarHBondContact O-N 3.41Å; D101-K115 PolarHBondContact O-N 3.47Å; D101-F118 HydrophobicContact CB-CD1 3.98Å; D101-F118 HydrophobicContact CB-CD2 4.49Å; D101-F118 HydrophobicContact CB-CE1 3.85Å; D101-F118 HydrophobicContact CB-CE2 4.38Å; D101-F118 HydrophobicContact CB-CG 4.31Å; D101-F118 HydrophobicContact CB-CZ 4.08Å; D101-C125 HydrophobicContact CB-CB 3.91Å; D101-C125 PolarHBondContact O-SG 3.04Å; D101-C125 WeakPolarHBondContact OD2-CB 3.2Å |
| 102 | C | 96.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.6 | -172.7 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | C98 K99 T104 C111 K115 | C98-C102 HydrophobicContact CB-CB 4.37Å; K99-C102 HydrophobicContact CB-CB 4.47Å; K99-C102 PolarHBondContact O-N 3.49Å; K99-C102 VanDerWaalsContact O-N 3.14Å; C102-T104 PolarHBondContact SG-O 3.05Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 3.94Å; C102-C111 WeakPolarHBondContact CB-SG 3.34Å; C102-C111 VanDerWaalsContact SG-CA 3.56Å; C102-C111 WeakPolarHBondContact SG-CB 3.3Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.01Å; C102-K115 VanDerWaalsContact O-CE 3.29Å; C102-K115 WeakPolarHBondContact O-CE 3.48Å |
| 103 | D | 95.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -51.8 | 177.3 | -173.1 | 33.1 | 0 | 0 | 0 | 110.7 | G83 K113 K115 | G83-D103 WeakPolarHBondContact CA-O 3.49Å; D103-K113 WeakPolarHBondContact CA-O 3.42Å; D103-K113 HydrophobicContact CB-CB 4.49Å; D103-K113 HydrophobicContact CB-CG 4.43Å; D103-K113 WeakPolarHBondContact CB-O 3.39Å; D103-K113 PolarHBondContact N-O 3.3Å; D103-K113 WeakPolarHBondContact OD2-CD 3.35Å; D103-K113 WeakPolarHBondContact OD2-CE 3.46Å; D103-K113 IonicContact OD2-NZ 2.68Å; D103-K113 PolarHBondContact OD2-NZ 2.95Å; D103-K115 HydrophobicContact CB-CG 4.16Å |
| 104 | T | 95.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.6 | 173.6 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | C102 C111 T112 K113 | C102-T104 PolarHBondContact SG-O 3.05Å; T104-C111 PolarHBondContact O-SG 3.31Å; T104-T112 VanDerWaalsContact C-OG1 3.27Å; T104-T112 PolarHBondContact O-N 3.17Å; T104-T112 PolarHBondContact O-OG1 3.26Å; T104-T112 PolarHBondContact OG1-OG1 2.98Å; T104-K113 PolarHBondContact N-O 3.07Å; T104-K113 VanDerWaalsContact N-O 3.15Å; T104-K113 PolarHBondContact O-N 3.25Å; T104-K113 VanDerWaalsContact O-N 3.11Å; T104-K113 WeakPolarHBondContact OG1-CB 3.41Å; T104-K113 PolarHBondContact OG1-N 3.05Å |
| 105 | C | 96.3 | Very high | 95.2 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.9 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | Y85 C98 F110 | Y85-C105 WeakPolarHBondContact CD1-SG 3.47Å; C98-C105 WeakPolarHBondContact CA-SG 3.39Å; C98-C105 HydrophobicContact CB-CB 3.92Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 WeakPolarHBondContact SG-CB 3.47Å; C98-C105 PolarHBondContact SG-N 3.23Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 3.28Å; C105-F110 WeakPolarHBondContact CA-O 3.39Å; C105-F110 WeakPolarHBondContact CB-O 3.45Å |
| 106 | F | 95.2 | Very high | 95 | Very high | 152 Ų | 152 | 71.3 Ų | 71.3 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -82.2 | -41 | 173.4 | 177.9 | -105.5 | 0 | 0 | 0 | 111.1 | F110 T112 | F106-F110 HydrophobicContact CB-CB 4.44Å; F106-F110 HydrophobicContact CB-CD1 3.92Å; F106-F110 PolarHBondContact N-O 2.82Å; F106-T112 HydrophobicContact CB-CG2 4.28Å |
| 107 | N | 94.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -149.2 | -174 | 174.6 | 66.6 | 41.9 | 0 | 0 | 0 | 110.2 | Y85 N109 F110 | Y85-N107 HydrophobicContact CD2-CB 4.45Å; N107-N109 PolarHBondContact O-N 3.43Å; N107-N109 VanDerWaalsContact O-N 3.12Å; N107-N109 WeakPolarHBondContact OD1-CA 3.33Å; N107-N109 PolarHBondContact OD1-N 2.86Å; N107-F110 PolarHBondContact N-O 3Å; N107-F110 PolarHBondContact O-N 2.81Å; N107-F110 WeakPolarHBondContact OD1-CB 3.45Å; N107-F110 PolarHBondContact OD1-N 2.84Å |
| 108 | K | 92.7 | Very high | 95 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -55 | -31.6 | -179.9 | -166.2 | 175.9 | 176.2 | -178.6 | 0 | 114 | Y85 K99 | Y85-K108 WeakPolarHBondContact OH-CB 3.39Å; K99-K108 WeakPolarHBondContact CE-O 3.29Å |
| 109 | N | 92.8 | Very high | 95 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -107.6 | -17.3 | -170.9 | -66.2 | -22.6 | 0 | 0 | 0 | 113.5 | N107 | N107-N109 PolarHBondContact O-N 3.43Å; N107-N109 VanDerWaalsContact O-N 3.12Å; N107-N109 WeakPolarHBondContact OD1-CA 3.33Å; N107-N109 PolarHBondContact OD1-N 2.86Å |
| 110 | F | 96.3 | Very high | 95 | Very high | 96 Ų | 96 | 66 Ų | 66 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | trans | -118.3 | 104.3 | -173.5 | -163.2 | -83.6 | 0 | 0 | 0 | 110.3 | C105 F106 N107 T112 G123 | C105-F110 WeakPolarHBondContact CA-O 3.39Å; C105-F110 WeakPolarHBondContact CB-O 3.45Å; F106-F110 HydrophobicContact CB-CB 4.44Å; F106-F110 HydrophobicContact CB-CD1 3.92Å; F106-F110 PolarHBondContact N-O 2.82Å; N107-F110 PolarHBondContact N-O 3Å; N107-F110 PolarHBondContact O-N 2.81Å; N107-F110 WeakPolarHBondContact OD1-CB 3.45Å; N107-F110 PolarHBondContact OD1-N 2.84Å; F110-T112 HydrophobicContact CD1-CG2 4.2Å; F110-T112 HydrophobicContact CE1-CG2 4.05Å; F110-G123 CarbonylContact C-O 3.53Å; F110-G123 WeakPolarHBondContact CA-O 3.1Å | ||
| 111 | C | 96.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.1 | 170.4 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | C102 T104 K113 L120 G123 C125 | C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 3.94Å; C102-C111 WeakPolarHBondContact CB-SG 3.34Å; C102-C111 VanDerWaalsContact SG-CA 3.56Å; C102-C111 WeakPolarHBondContact SG-CB 3.3Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.01Å; T104-C111 PolarHBondContact O-SG 3.31Å; C111-K113 PolarHBondContact SG-O 3.34Å; C111-L120 HydrophobicContact CB-CD1 4.29Å; C111-L120 WeakPolarHBondContact O-CD1 3.25Å; C111-G123 WeakPolarHBondContact CB-O 3.29Å; C111-G123 PolarHBondContact N-O 3.09Å; C111-G123 WeakPolarHBondContact O-CA 3.39Å; C111-C125 PolarHBondContact SG-SG 2.98Å |
| 112 | T | 95.2 | Very high | 95 | Very high | 70 Ų | 70 | 69.2 Ų | 69.2 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -25.6 | 175.3 | 45.4 | 0 | 0 | 0 | 0 | 112 | T104 F106 F110 | T104-T112 VanDerWaalsContact C-OG1 3.27Å; T104-T112 PolarHBondContact O-N 3.17Å; T104-T112 PolarHBondContact O-OG1 3.26Å; T104-T112 PolarHBondContact OG1-OG1 2.98Å; F106-T112 HydrophobicContact CB-CG2 4.28Å; F110-T112 HydrophobicContact CD1-CG2 4.2Å; F110-T112 HydrophobicContact CE1-CG2 4.05Å |
| 113 | K | 94.8 | Very high | 94.9 | Very high | 114 Ų | 114 | 69.1 Ų | 69.1 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 124.3 | 177.3 | -171 | -176.3 | 170 | -145.2 | 0 | 110.1 | D103 T104 C111 | D103-K113 WeakPolarHBondContact CA-O 3.42Å; D103-K113 HydrophobicContact CB-CB 4.49Å; D103-K113 HydrophobicContact CB-CG 4.43Å; D103-K113 WeakPolarHBondContact CB-O 3.39Å; D103-K113 PolarHBondContact N-O 3.3Å; D103-K113 WeakPolarHBondContact OD2-CD 3.35Å; D103-K113 WeakPolarHBondContact OD2-CE 3.46Å; D103-K113 IonicContact OD2-NZ 2.68Å; D103-K113 PolarHBondContact OD2-NZ 2.95Å; T104-K113 PolarHBondContact N-O 3.07Å; T104-K113 VanDerWaalsContact N-O 3.15Å; T104-K113 PolarHBondContact O-N 3.25Å; T104-K113 VanDerWaalsContact O-N 3.11Å; T104-K113 WeakPolarHBondContact OG1-CB 3.41Å; T104-K113 PolarHBondContact OG1-N 3.05Å; C111-K113 PolarHBondContact SG-O 3.34Å |
| 114 | C | 95.9 | Very high | 95 | Very high | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 158.5 | 178.2 | -63.7 | 0 | 0 | 0 | 0 | 112 | F118 L120 C125 | C114-F118 HydrophobicContact CB-CB 3.94Å; C114-L120 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact CA-SG 3.17Å; C114-C125 HydrophobicContact CB-CB 3.79Å; C114-C125 WeakPolarHBondContact CB-SG 2.99Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 2.99Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 3.08Å |
| 115 | K | 94.9 | Very high | 95 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 158.4 | 169.5 | -67.3 | -172.9 | -174.7 | 175.9 | 0 | 110.5 | A100 D101 C102 D103 G117 F118 | A100-K115 WeakPolarHBondContact O-CD 3.36Å; A100-K115 WeakPolarHBondContact O-CE 3.45Å; A100-K115 PolarHBondContact O-NZ 3.47Å; D101-K115 PolarHBondContact O-N 3.47Å; C102-K115 VanDerWaalsContact O-CE 3.29Å; C102-K115 WeakPolarHBondContact O-CE 3.48Å; D103-K115 HydrophobicContact CB-CG 4.16Å; K115-G117 PolarHBondContact O-N 3.25Å; K115-F118 HydrophobicContact CB-CD2 4.22Å; K115-F118 PolarHBondContact O-N 3.35Å; K115-F118 VanDerWaalsContact O-N 3.07Å |
| 116 | S | 92.9 | Very high | 95 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.1 | 175.7 | -53 | 0 | 0 | 0 | 0 | 111.1 | ||
| 117 | G | 92.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | -10.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K115 | K115-G117 PolarHBondContact O-N 3.25Š|
| 118 | F | 95.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | trans | -112.6 | 147.3 | 174.7 | -62.7 | -94.5 | 0 | 0 | 0 | 111.2 | D101 C114 K115 C125 L126 D127 | D101-F118 HydrophobicContact CB-CD1 3.98Å; D101-F118 HydrophobicContact CB-CD2 4.49Å; D101-F118 HydrophobicContact CB-CE1 3.85Å; D101-F118 HydrophobicContact CB-CE2 4.38Å; D101-F118 HydrophobicContact CB-CG 4.31Å; D101-F118 HydrophobicContact CB-CZ 4.08Å; C114-F118 HydrophobicContact CB-CB 3.94Å; K115-F118 HydrophobicContact CB-CD2 4.22Å; K115-F118 PolarHBondContact O-N 3.35Å; K115-F118 VanDerWaalsContact O-N 3.07Å; F118-C125 HydrophobicContact CB-CB 3.92Å; F118-C125 HydrophobicContact CD1-CB 4.38Å; F118-C125 HydrophobicContact CG-CB 4.35Å; F118-L126 CarbonylContact C-O 3.54Å; F118-L126 WeakPolarHBondContact CA-O 3.03Å; F118-D127 WeakPolarHBondContact CD1-OD1 3.44Å; F118-D127 WeakPolarHBondContact CE1-OD1 3.48Å | ||
| 119 | Y | 96.3 | Very high | 95 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.1 | 177 | -58 | -85.7 | 0 | 0 | 0 | 110.9 | C125 L126 D127 A135 N137 M140 C142 | Y119-C125 WeakPolarHBondContact O-CA 3.41Å; Y119-L126 PolarHBondContact N-O 3.22Å; Y119-L126 PolarHBondContact O-N 3.36Å; Y119-D127 WeakPolarHBondContact CD2-O 3.03Å; Y119-D127 WeakPolarHBondContact CE2-O 3.39Å; Y119-A135 HydrophobicContact CD1-CB 3.86Å; Y119-A135 HydrophobicContact CD2-CB 4.43Å; Y119-A135 HydrophobicContact CE1-CB 3.48Å; Y119-A135 VanDerWaalsContact CE1-CB 3.48Å; Y119-A135 HydrophobicContact CE2-CB 4.09Å; Y119-A135 HydrophobicContact CG-CB 4.33Å; Y119-N137 PolarHBondContact OH-OD1 2.03Å; Y119-N137 VanDerWaalsContact OH-OD1 3.05Å; Y119-M140 WeakPolarHBondContact CA-O 3.35Å; Y119-C142 VanDerWaalsContact CB-SG 3.57Å |
| 120 | L | 96.4 | Very high | 95 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.3 | 177.1 | -176.8 | 69.2 | 0 | 0 | 0 | 110.6 | C111 C114 K124 M140 E141 C142 | C111-L120 HydrophobicContact CB-CD1 4.29Å; C111-L120 WeakPolarHBondContact O-CD1 3.25Å; C114-L120 VanDerWaalsContact SG-CA 3.56Å; L120-K124 WeakPolarHBondContact CA-O 3.4Å; L120-M140 PolarHBondContact N-O 3.18Å; L120-E141 HydrophobicContact CB-CG 4.18Å; L120-C142 PolarHBondContact O-N 2.94Å |
| 121 | H | 95.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 21% | 0.213 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 118.4 | 173 | -174.8 | 63.1 | 0 | 0 | 0 | 110.5 | G123 K124 L126 L133 C142 | H121-G123 PolarHBondContact O-N 3.33Å; H121-G123 VanDerWaalsContact O-N 3.16Å; H121-K124 PolarHBondContact N-O 3.45Å; H121-K124 PolarHBondContact O-N 3.15Å; H121-L126 HydrophobicContact CB-CD1 3.97Å; H121-L133 WeakPolarHBondContact CE1-CD1 2.94Å; H121-C142 HydrophobicContact CB-CB 3.95Å |
| 122 | L | 93.8 | Very high | 94.3 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 76% | 0.764 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 40.8 | 178.5 | -59.8 | 175.2 | 0 | 0 | 0 | 113.7 | K124 | L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.45Å |
| 123 | G | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 11.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F110 C111 H121 | F110-G123 CarbonylContact C-O 3.53Å; F110-G123 WeakPolarHBondContact CA-O 3.1Å; C111-G123 WeakPolarHBondContact CB-O 3.29Å; C111-G123 PolarHBondContact N-O 3.09Å; C111-G123 WeakPolarHBondContact O-CA 3.39Å; H121-G123 PolarHBondContact O-N 3.33Å; H121-G123 VanDerWaalsContact O-N 3.16Å |
| 124 | K | 95.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.3 | 173.9 | -62.2 | 179.9 | -176.1 | 175 | 0 | 110.2 | L120 H121 L122 | L120-K124 WeakPolarHBondContact CA-O 3.4Å; H121-K124 PolarHBondContact N-O 3.45Å; H121-K124 PolarHBondContact O-N 3.15Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.45Å |
| 125 | C | 96.5 | Very high | 94 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.3 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 109 | D101 C111 C114 F118 Y119 | D101-C125 HydrophobicContact CB-CB 3.91Å; D101-C125 PolarHBondContact O-SG 3.04Å; D101-C125 WeakPolarHBondContact OD2-CB 3.2Å; C111-C125 PolarHBondContact SG-SG 2.98Å; C114-C125 WeakPolarHBondContact CA-SG 3.17Å; C114-C125 HydrophobicContact CB-CB 3.79Å; C114-C125 WeakPolarHBondContact CB-SG 2.99Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 2.99Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 3.08Å; F118-C125 HydrophobicContact CB-CB 3.92Å; F118-C125 HydrophobicContact CD1-CB 4.38Å; F118-C125 HydrophobicContact CG-CB 4.35Å; Y119-C125 WeakPolarHBondContact O-CA 3.41Å |
| 126 | L | 95.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.9 | -176.2 | -57.2 | 175.7 | 0 | 0 | 0 | 109.7 | F118 Y119 H121 N128 P130 | F118-L126 CarbonylContact C-O 3.54Å; F118-L126 WeakPolarHBondContact CA-O 3.03Å; Y119-L126 PolarHBondContact N-O 3.22Å; Y119-L126 PolarHBondContact O-N 3.36Å; H121-L126 HydrophobicContact CB-CD1 3.97Å; L126-N128 VanDerWaalsContact C-N 3.31Å; L126-N128 WeakPolarHBondContact CB-O 3.05Å; L126-P130 HydrophobicContact CD1-CG 4.23Å |
| 127 | D | 94.1 | Very high | 93.7 | Very high | 102 Ų | 102 | 65.2 Ų | 65.2 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -66.5 | -37.6 | 173.7 | -61.8 | -59.7 | 0 | 0 | 0 | 111.5 | F118 Y119 | F118-D127 WeakPolarHBondContact CD1-OD1 3.44Å; F118-D127 WeakPolarHBondContact CE1-OD1 3.48Å; Y119-D127 WeakPolarHBondContact CD2-O 3.03Å; Y119-D127 WeakPolarHBondContact CE2-O 3.39Å |
| 128 | N | 93.6 | Very high | 93.4 | Very high | 134 Ų | 134 | 71.1 Ų | 71.1 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -130.7 | 143.8 | 179 | -67.2 | -51.1 | 0 | 0 | 0 | 110.5 | L126 | L126-N128 VanDerWaalsContact C-N 3.31Å; L126-N128 WeakPolarHBondContact CB-O 3.05Å |
| 129 | C | 94.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 144.6 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 112 | L133 C142 | C129-L133 HydrophobicContact CB-CB 4.17Å; C129-C142 WeakPolarHBondContact CA-SG 3.5Å; C129-C142 HydrophobicContact CB-CB 3.83Å; C129-C142 WeakPolarHBondContact CB-SG 3.48Å; C129-C142 WeakPolarHBondContact SG-CA 3.11Å; C129-C142 WeakPolarHBondContact SG-CB 3.21Å; C129-C142 CovalentContact SG-SG 2.05Å; C129-C142 PolarHBondContact SG-SG 3.06Å |
| 130 | P | 94.1 | Very high | 93 | Very high | 50 Ų | 50 | 73.5 Ų | 73.5 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 170.5 | 177 | 10 | -3.9 | 0 | 0 | 0 | 112.2 | L126 L133 | L126-P130 HydrophobicContact CD1-CG 4.23Å; P130-L133 HydrophobicContact CB-CD1 4.48Å; P130-L133 HydrophobicContact CG-CD1 3.73Å; P130-L133 PolarHBondContact O-N 3.39Å |
| 131 | E | 90 | Very high | 92.9 | Very high | 201 Ų | 201 | 75.9 Ų | 75.9 | 94% | 0.939 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 140.6 | -180 | -164.8 | 169.9 | -165.2 | 0 | 0 | 111.9 | L133 | E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 3.49Å |
| 132 | G | 86.6 | Confident | 92.9 | Very high | 48 Ų | 48 | 74.4 Ų | 74.4 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -5.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 133 | L | 93.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157.3 | 177.6 | -63.8 | 152.1 | 0 | 0 | 0 | 111.1 | H121 C129 P130 E131 C142 V143 N144 | H121-L133 WeakPolarHBondContact CE1-CD1 2.94Å; C129-L133 HydrophobicContact CB-CB 4.17Å; P130-L133 HydrophobicContact CB-CD1 4.48Å; P130-L133 HydrophobicContact CG-CD1 3.73Å; P130-L133 PolarHBondContact O-N 3.39Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 3.49Å; L133-C142 HydrophobicContact CB-CB 4.29Å; L133-C142 HydrophobicContact CD1-CB 4.4Å; L133-V143 CarbonylContact C-O 3.54Å; L133-V143 VanDerWaalsContact CA-O 3.29Å; L133-V143 WeakPolarHBondContact CA-O 3.32Å; L133-V143 WeakPolarHBondContact CB-O 3.39Å; L133-V143 VanDerWaalsContact CD2-C 3.46Å; L133-V143 WeakPolarHBondContact CD2-O 3.49Å; L133-N144 WeakPolarHBondContact CD2-OD1 3.42Å |
| 134 | E | 93.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.051 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.6 | 171.8 | 77.9 | -164 | 120.6 | 0 | 0 | 112.3 | C142 V143 I145 S184 A185 K186 | E134-C142 WeakPolarHBondContact O-CA 3.02Å; E134-V143 HydrophobicContact CG-CG2 3.75Å; E134-V143 PolarHBondContact N-O 3.43Å; E134-V143 PolarHBondContact O-N 3.45Å; E134-I145 HydrophobicContact CB-CG1 4.13Å; E134-I145 WeakPolarHBondContact OE1-CA 3.04Å; E134-S184 VanDerWaalsContact CD-OG 3.27Å; E134-S184 WeakPolarHBondContact OE1-CB 3.37Å; E134-S184 PolarHBondContact OE1-OG 2.98Å; E134-S184 PolarHBondContact OE2-OG 3.22Å; E134-A185 PolarHBondContact OE2-N 3.11Å; E134-K186 HydrophobicContact CB-CB 4.38Å; E134-K186 HydrophobicContact CB-CD 3.83Å; E134-K186 HydrophobicContact CB-CG 4.13Å; E134-K186 PolarHBondContact OE2-N 2.84Å |
| 135 | A | 93.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 71.1 Ų | 71.1 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 119.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y119 | Y119-A135 HydrophobicContact CD1-CB 3.86Å; Y119-A135 HydrophobicContact CD2-CB 4.43Å; Y119-A135 HydrophobicContact CE1-CB 3.48Å; Y119-A135 VanDerWaalsContact CE1-CB 3.48Å; Y119-A135 HydrophobicContact CE2-CB 4.09Å; Y119-A135 HydrophobicContact CG-CB 4.33Å |
| 136 | N | 91.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 106.6 | 168.3 | -173.2 | -16.1 | 0 | 0 | 0 | 109.9 | H138 T139 M140 E141 V143 | N136-H138 PolarHBondContact O-N 3.45Å; N136-H138 WeakPolarHBondContact OD1-CB 3.42Å; N136-H138 PolarHBondContact OD1-N 3.08Å; N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact O-N 3.5Å; N136-M140 VanDerWaalsContact O-CA 3.3Å; N136-M140 WeakPolarHBondContact O-CA 3.01Å; N136-M140 PolarHBondContact O-N 2.95Å; N136-E141 PolarHBondContact N-O 3.37Å; N136-V143 HydrophobicContact CB-CG1 3.99Å; N136-V143 HydrophobicContact CB-CG2 4.04Å |
| 137 | N | 89.8 | Confident | 92.4 | Very high | 112 Ų | 112 | 74.3 Ų | 74.3 | 60% | 0.599 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.9 | -179.2 | -67.4 | -18.1 | 0 | 0 | 0 | 113.8 | Y119 | Y119-N137 PolarHBondContact OH-OD1 2.03Å; Y119-N137 VanDerWaalsContact OH-OD1 3.05Å |
| 138 | H | 87.4 | Confident | 92.5 | Very high | 178 Ų | 178 | 70.4 Ų | 70.4 | 82% | 0.824 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -38.8 | 178.8 | -62 | -63.3 | 0 | 0 | 0 | 112.2 | N136 | N136-H138 PolarHBondContact O-N 3.45Å; N136-H138 WeakPolarHBondContact OD1-CB 3.42Å; N136-H138 PolarHBondContact OD1-N 3.08Å |
| 139 | T | 90.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -11.9 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | N136 E141 | N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact O-N 3.5Å; T139-E141 VanDerWaalsContact C-N 3.3Å; T139-E141 WeakPolarHBondContact CB-OE2 3.45Å; T139-E141 PolarHBondContact OG1-OE2 3.27Å; T139-E141 VanDerWaalsContact OG1-OE2 3.07Å |
| 140 | M | 92.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 69.8 Ų | 69.8 | 38% | 0.384 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 44.2 | -171.2 | -61.6 | -178.7 | 178.4 | 0 | 0 | 112 | Y119 L120 N136 | Y119-M140 WeakPolarHBondContact CA-O 3.35Å; L120-M140 PolarHBondContact N-O 3.18Å; N136-M140 VanDerWaalsContact O-CA 3.3Å; N136-M140 WeakPolarHBondContact O-CA 3.01Å; N136-M140 PolarHBondContact O-N 2.95Å |
| 141 | E | 94.5 | Very high | 92.7 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.5 | -178.6 | -66.1 | 170 | 154.2 | 0 | 0 | 110.7 | L120 N136 T139 V143 | L120-E141 HydrophobicContact CB-CG 4.18Å; N136-E141 PolarHBondContact N-O 3.37Å; T139-E141 VanDerWaalsContact C-N 3.3Å; T139-E141 WeakPolarHBondContact CB-OE2 3.45Å; T139-E141 PolarHBondContact OG1-OE2 3.27Å; T139-E141 VanDerWaalsContact OG1-OE2 3.07Å; E141-V143 HydrophobicContact CB-CG1 4.5Å |
| 142 | C | 95.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.1 | 168.6 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | Y119 L120 H121 C129 L133 E134 | Y119-C142 VanDerWaalsContact CB-SG 3.57Å; L120-C142 PolarHBondContact O-N 2.94Å; H121-C142 HydrophobicContact CB-CB 3.95Å; C129-C142 WeakPolarHBondContact CA-SG 3.5Å; C129-C142 HydrophobicContact CB-CB 3.83Å; C129-C142 WeakPolarHBondContact CB-SG 3.48Å; C129-C142 WeakPolarHBondContact SG-CA 3.11Å; C129-C142 WeakPolarHBondContact SG-CB 3.21Å; C129-C142 CovalentContact SG-SG 2.05Å; C129-C142 PolarHBondContact SG-SG 3.06Å; L133-C142 HydrophobicContact CB-CB 4.29Å; L133-C142 HydrophobicContact CD1-CB 4.4Å; E134-C142 WeakPolarHBondContact O-CA 3.02Å |
| 143 | V | 94 | Very high | 93.6 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 156.9 | -178.6 | -59 | 0 | 0 | 0 | 0 | 110.8 | L133 E134 N136 E141 | L133-V143 CarbonylContact C-O 3.54Å; L133-V143 VanDerWaalsContact CA-O 3.29Å; L133-V143 WeakPolarHBondContact CA-O 3.32Å; L133-V143 WeakPolarHBondContact CB-O 3.39Å; L133-V143 VanDerWaalsContact CD2-C 3.46Å; L133-V143 WeakPolarHBondContact CD2-O 3.49Å; E134-V143 HydrophobicContact CG-CG2 3.75Å; E134-V143 PolarHBondContact N-O 3.43Å; E134-V143 PolarHBondContact O-N 3.45Å; N136-V143 HydrophobicContact CB-CG1 3.99Å; N136-V143 HydrophobicContact CB-CG2 4.04Å; E141-V143 HydrophobicContact CB-CG1 4.5Å |
| 144 | N | 92.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 140.9 | 176.3 | -68.3 | -54.1 | 0 | 0 | 0 | 110.8 | L133 V146 | L133-N144 WeakPolarHBondContact CD2-OD1 3.42Å; N144-V146 PolarHBondContact O-N 3.4Å |
| 145 | I | 93 | Very high | 93.9 | Very high | 47 Ų | 47 | 76.2 Ų | 76.2 | 24% | 0.241 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.1 | 170.9 | -61.7 | 170.2 | 0 | 0 | 0 | 107.9 | E134 K186 | E134-I145 HydrophobicContact CB-CG1 4.13Å; E134-I145 WeakPolarHBondContact OE1-CA 3.04Å; I145-K186 HydrophobicContact CD1-CB 4.32Å; I145-K186 HydrophobicContact CG1-CB 4.36Å; I145-K186 HydrophobicContact CG2-CB 4.4Å |
| 146 | V | 92.4 | Very high | 94 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -102 | 119.8 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | N144 Q181 P183 S184 G187 | N144-V146 PolarHBondContact O-N 3.4Å; V146-Q181 HydrophobicContact CG1-CG 3.44Å; V146-Q181 VanDerWaalsContact CG1-CG 3.44Å; V146-P183 CarbonylContact O-C 3.6Å; V146-P183 WeakPolarHBondContact O-CA 3.44Å; V146-S184 PolarHBondContact N-OG 3.48Å; V146-S184 VanDerWaalsContact N-OG 3.1Å; V146-S184 PolarHBondContact O-N 2.92Å; V146-S184 PolarHBondContact O-OG 3.49Å; V146-G187 WeakPolarHBondContact O-CA 2.97Å |
| 147 | H | 92.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 77.3 Ų | 77.3 | 41% | 0.407 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 160.7 | 174.3 | -58.6 | -58 | 0 | 0 | 0 | 110.7 | E149 Q181 N188 | H147-E149 PolarHBondContact O-N 3.1Å; H147-Q181 PolarHBondContact O-OE1 2.03Å; H147-N188 HydrophobicContact CB-CB 4.47Å; H147-N188 PolarHBondContact ND1-N 3.3Å; H147-N188 PolarHBondContact ND1-ND2 2.83Å |
| 148 | C | 95.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -74 | 125 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | Q181 P183 N188 C190 | C148-Q181 VanDerWaalsContact CA-O 3.31Å; C148-Q181 WeakPolarHBondContact CA-O 3.15Å; C148-Q181 PolarHBondContact SG-O 3.17Å; C148-Q181 VanDerWaalsContact SG-O 3.33Å; C148-P183 HydrophobicContact CB-CB 3.94Å; C148-P183 HydrophobicContact CB-CG 3.91Å; C148-N188 WeakPolarHBondContact CB-O 3.43Å; C148-N188 PolarHBondContact N-O 2.92Å; C148-C190 HydrophobicContact CB-CB 3.86Å; C148-C190 WeakPolarHBondContact CB-SG 3.31Å; C148-C190 WeakPolarHBondContact SG-CA 2.98Å; C148-C190 WeakPolarHBondContact SG-CB 3Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.71Å |
| 149 | E | 95.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.7 | 170.9 | -58.6 | -176 | 163.3 | 0 | 0 | 109.6 | H147 M180 Q181 | H147-E149 PolarHBondContact O-N 3.1Å; E149-M180 PolarHBondContact O-N 3.15Å; E149-Q181 HydrophobicContact CB-CB 3.78Å; E149-Q181 HydrophobicContact CG-CB 4.14Å; E149-Q181 PolarHBondContact N-O 3.09Å; E149-Q181 PolarHBondContact O-N 2.82Å |
| 150 | V | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.4 | -178.3 | -67.3 | 0 | 0 | 0 | 0 | 109.6 | E178 I179 P191 | V150-E178 CarbonylContact C-O 3.57Å; V150-E178 VanDerWaalsContact CA-O 3.28Å; V150-E178 WeakPolarHBondContact CA-O 3.03Å; V150-E178 WeakPolarHBondContact CB-O 3.38Å; V150-I179 HydrophobicContact CG1-CG1 4.12Å; V150-P191 HydrophobicContact CB-CG 4.43Å; V150-P191 HydrophobicContact CG1-CG 3.82Å; V150-P191 HydrophobicContact CG2-CG 3.69Å |
| 151 | S | 96.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 68.7 Ų | 68.7 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 169.1 | 178.4 | 74.9 | 0 | 0 | 0 | 0 | 112 | E178 | S151-E178 PolarHBondContact N-O 2.77Å; S151-E178 PolarHBondContact OG-N 3.02Å |
| 152 | E | 96.6 | Very high | 94.9 | Very high | 177 Ų | 177 | 74.4 Ų | 74.4 | 83% | 0.827 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 154.9 | 160.1 | -64.8 | -169 | 171.6 | 0 | 0 | 110.8 | ||
| 153 | W | 97.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 26% | 0.258 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.2 | 177.6 | -75.4 | 105.3 | 0 | 0 | 0 | 111.2 | R175 R177 E195 | W153-R175 HydrophobicContact CD2-CG 4.15Å; W153-R175 HydrophobicContact CE3-CB 4.24Å; W153-R175 HydrophobicContact CE3-CG 3.54Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.88Å; W153-R177 HydrophobicContact CD2-CB 4.17Å; W153-R177 HydrophobicContact CD2-CG 4.16Å; W153-R177 HydrophobicContact CE3-CB 3.75Å; W153-R177 HydrophobicContact CE3-CG 3.77Å; W153-R177 HydrophobicContact CH2-CG 3.95Å; W153-R177 HydrophobicContact CZ2-CG 4.31Å; W153-R177 VanDerWaalsContact CZ2-CZ 3.48Å; W153-R177 VanDerWaalsContact CZ2-NE 3.32Å; W153-R177 HydrophobicContact CZ3-CB 4.11Å; W153-R177 HydrophobicContact CZ3-CG 3.66Å; W153-E195 HydrophobicContact CH2-CB 3.78Å; W153-E195 HydrophobicContact CZ2-CB 4.38Å; W153-E195 HydrophobicContact CZ3-CB 4.09Å |
| 154 | N | 96.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 81.5 Ų | 81.5 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 155.6 | 165 | -69.8 | -12.6 | 0 | 0 | 0 | 110.4 | V176 | N154-V176 VanDerWaalsContact CB-O 3.24Å; N154-V176 WeakPolarHBondContact CB-O 3.43Å; N154-V176 PolarHBondContact N-O 3.35Å |
| 155 | P | 97 | Very high | 94.4 | Very high | 118 Ų | 118 | 80.4 Ų | 80.4 | 77% | 0.766 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 147.6 | 170.8 | -24.8 | 34.1 | 0 | 0 | 0 | 111.5 | S157 | P155-S157 PolarHBondContact O-N 3.33Š|
| 156 | W | 96.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 79.9 Ų | 79.9 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.1 | 175 | -72 | 100.8 | 0 | 0 | 0 | 110.8 | E173 R175 E195 R197 | W156-E173 HydrophobicContact CD2-CG 4.2Å; W156-E173 HydrophobicContact CE3-CB 4.12Å; W156-E173 HydrophobicContact CE3-CG 3.63Å; W156-E173 HydrophobicContact CZ3-CG 4.12Å; W156-R175 HydrophobicContact CD2-CB 4.1Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.83Å; W156-R175 HydrophobicContact CE3-CG 3.81Å; W156-R175 HydrophobicContact CH2-CG 3.73Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 HydrophobicContact CZ3-CB 4.13Å; W156-R175 HydrophobicContact CZ3-CG 3.64Å; W156-E195 HydrophobicContact CH2-CB 4.3Å; W156-E195 HydrophobicContact CH2-CG 3.97Å; W156-R197 HydrophobicContact CH2-CB 3.73Å; W156-R197 HydrophobicContact CZ2-CB 4.45Å; W156-R197 HydrophobicContact CZ3-CB 3.88Å |
| 157 | S | 95.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 79.9 Ų | 79.9 | 25% | 0.252 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 158.5 | 170.3 | 73.3 | 0 | 0 | 0 | 0 | 110.5 | P155 C159 E173 T174 | P155-S157 PolarHBondContact O-N 3.33Å; S157-C159 PolarHBondContact O-N 3.39Å; S157-E173 WeakPolarHBondContact O-CB 3.49Å; S157-T174 WeakPolarHBondContact CB-O 3.33Å; S157-T174 PolarHBondContact N-O 2.84Å; S157-T174 PolarHBondContact OG-N 2.48Å; S157-T174 PolarHBondContact OG-O 2.88Å; S157-T174 VanDerWaalsContact OG-O 3.1Å; S157-T174 PolarHBondContact OG-OG1 3.43Å |
| 158 | P | 94.8 | Very high | 94.2 | Very high | 93 Ų | 93 | 76.3 Ų | 76.3 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 141.6 | 168.2 | -24.8 | 34.1 | 0 | 0 | 0 | 111.5 | T160 T165 | P158-T160 PolarHBondContact O-N 3.5Å; P158-T165 HydrophobicContact CB-CG2 4.24Å |
| 159 | C | 95.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 81.8 Ų | 81.8 | 10% | 0.101 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 128 | 172.6 | -169.4 | 0 | 0 | 0 | 0 | 109 | S157 F168 C199 V201 | S157-C159 PolarHBondContact O-N 3.39Å; C159-F168 HydrophobicContact CB-CE2 4.46Å; C159-F168 VanDerWaalsContact O-CZ 3.29Å; C159-F168 WeakPolarHBondContact O-CZ 3.5Å; C159-C199 WeakPolarHBondContact CA-SG 3.24Å; C159-C199 HydrophobicContact CB-CB 3.85Å; C159-C199 WeakPolarHBondContact CB-SG 3.4Å; C159-C199 WeakPolarHBondContact SG-CB 3.42Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.83Å; C159-V201 HydrophobicContact CB-CG1 3.61Å |
| 160 | T | 95.2 | Very high | 94 | Very high | 40 Ų | 40 | 85.5 Ų | 85.5 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 154.8 | 179.2 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | P158 K164 T165 G171 T172 | P158-T160 PolarHBondContact O-N 3.5Å; T160-K164 CarbonylContact C-O 3.49Å; T160-K164 WeakPolarHBondContact CA-O 3.4Å; T160-K164 WeakPolarHBondContact CB-O 3.37Å; T160-T165 HydrophobicContact CG2-CG2 3.73Å; T160-G171 CarbonylContact O-C 3.59Å; T160-G171 VanDerWaalsContact O-CA 3.26Å; T160-G171 WeakPolarHBondContact O-CA 3.46Å; T160-T172 PolarHBondContact N-O 2.83Å; T160-T172 PolarHBondContact O-N 2.82Å; T160-T172 PolarHBondContact OG1-O 3.33Å |
| 161 | K | 94.6 | Very high | 94 | Very high | 109 Ų | 109 | 84.4 Ų | 84.4 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -135.5 | 120.9 | 168.6 | -168.8 | -178.4 | -168.9 | 169.5 | 0 | 109.4 | G163 K164 F168 R170 | K161-G163 VanDerWaalsContact C-N 3.27Å; K161-G163 PolarHBondContact O-N 3.27Å; K161-K164 PolarHBondContact N-O 3.3Å; K161-K164 PolarHBondContact O-N 3.32Å; K161-K164 VanDerWaalsContact O-N 3.14Å; K161-F168 HydrophobicContact CB-CB 4.01Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 3.9Å; K161-F168 HydrophobicContact CB-CE1 4.01Å; K161-F168 HydrophobicContact CB-CE2 4.32Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.39Å; K161-F168 HydrophobicContact CD-CB 3.67Å; K161-F168 HydrophobicContact CD-CG 4.12Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.45Å; K161-R170 WeakPolarHBondContact CD-O 3.29Å |
| 162 | K | 89 | Confident | 94 | Very high | 199 Ų | 199 | 86 Ų | 86 | 87% | 0.865 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 44.3 | -175.6 | -59.2 | -176.5 | 175.7 | -171.8 | 0 | 112.3 | K164 | K162-K164 PolarHBondContact O-N 3.21Š|
| 163 | G | 89.1 | Confident | 94 | Very high | 74 Ų | 74 | 78.6 Ų | 78.6 | 76% | 0.763 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 5.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K161 | K161-G163 VanDerWaalsContact C-N 3.27Å; K161-G163 PolarHBondContact O-N 3.27Å |
| 164 | K | 89.8 | Confident | 93.9 | Very high | 136 Ų | 136 | 78.5 Ų | 78.5 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -106.7 | 149.1 | 177.5 | -61.6 | -178.9 | -178.6 | -179.5 | 0 | 110.6 | T160 K161 K162 F168 | T160-K164 CarbonylContact C-O 3.49Å; T160-K164 WeakPolarHBondContact CA-O 3.4Å; T160-K164 WeakPolarHBondContact CB-O 3.37Å; K161-K164 PolarHBondContact N-O 3.3Å; K161-K164 PolarHBondContact O-N 3.32Å; K161-K164 VanDerWaalsContact O-N 3.14Å; K162-K164 PolarHBondContact O-N 3.21Å; K164-F168 WeakPolarHBondContact O-CE1 3.45Å |
| 165 | T | 92.7 | Very high | 94 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 60% | 0.595 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -101 | -3.3 | 176.2 | 52 | 0 | 0 | 0 | 0 | 113.7 | P158 T160 | P158-T165 HydrophobicContact CB-CG2 4.24Å; T160-T165 HydrophobicContact CG2-CG2 3.73Å |
| 166 | C | 90.1 | Very high | 94 | Very high | 36 Ų | 36 | 75.4 Ų | 75.4 | 24% | 0.243 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -129.4 | 165.4 | -177.9 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | F168 C206 | C166-F168 VanDerWaalsContact O-CD1 3.28Å; C166-F168 WeakPolarHBondContact O-CD1 3.37Å; C166-F168 PolarHBondContact O-N 3.34Å; C166-C206 HydrophobicContact CB-CB 4.09Å; C166-C206 WeakPolarHBondContact CB-SG 3.42Å; C166-C206 PolarHBondContact O-SG 3.43Å; C166-C206 VanDerWaalsContact O-SG 3.39Å; C166-C206 WeakPolarHBondContact SG-CA 3.29Å; C166-C206 WeakPolarHBondContact SG-CB 3.33Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 2.04Å |
| 167 | G | 90.2 | Very high | 94 | Very high | 45 Ų | 45 | 73.9 Ų | 73.9 | 46% | 0.464 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 80.6 | 6.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K204 | G167-K204 WeakPolarHBondContact CA-O 3.45Å; G167-K204 PolarHBondContact N-O 3.3Å |
| 168 | F | 93.1 | Very high | 94 | Very high | 14 Ų | 14 | 78.7 Ų | 78.7 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | trans | -130.6 | 161.8 | 175.8 | 61.4 | -87.3 | 0 | 0 | 0 | 111.9 | C159 K161 K164 C166 R170 V201 | C159-F168 HydrophobicContact CB-CE2 4.46Å; C159-F168 VanDerWaalsContact O-CZ 3.29Å; C159-F168 WeakPolarHBondContact O-CZ 3.5Å; K161-F168 HydrophobicContact CB-CB 4.01Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 3.9Å; K161-F168 HydrophobicContact CB-CE1 4.01Å; K161-F168 HydrophobicContact CB-CE2 4.32Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.39Å; K161-F168 HydrophobicContact CD-CB 3.67Å; K161-F168 HydrophobicContact CD-CG 4.12Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.45Å; K164-F168 WeakPolarHBondContact O-CE1 3.45Å; C166-F168 VanDerWaalsContact O-CD1 3.28Å; C166-F168 WeakPolarHBondContact O-CD1 3.37Å; C166-F168 PolarHBondContact O-N 3.34Å; F168-R170 WeakPolarHBondContact CD2-O 3.02Å; F168-V201 HydrophobicContact CD2-CG2 3.93Å; F168-V201 HydrophobicContact CE2-CG2 3.48Å; F168-V201 VanDerWaalsContact CE2-CG2 3.48Å; F168-V201 HydrophobicContact CZ-CG2 4.12Å | ||
| 169 | K | 93.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 77 Ų | 77 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -102.9 | -32.8 | 174.6 | -172.1 | 175.6 | -177.9 | 178 | 0 | 112.6 | T200 V201 | K169-T200 HydrophobicContact CG-CG2 4.22Å; K169-T200 CarbonylContact O-C 3.56Å; K169-T200 VanDerWaalsContact O-CA 3.26Å; K169-T200 WeakPolarHBondContact O-CA 3.36Å; K169-T200 WeakPolarHBondContact O-CG2 3.48Å; K169-V201 WeakPolarHBondContact CA-O 3.24Å; K169-V201 PolarHBondContact O-N 3.47Å |
| 170 | R | 94.8 | Very high | 94.1 | Very high | 191 Ų | 191 | 83 Ų | 83 | 72% | 0.721 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.7 | 178.3 | -63.4 | 179.8 | -176.7 | 162.1 | 0.2 | 109.4 | K161 F168 C199 | K161-R170 WeakPolarHBondContact CD-O 3.29Å; F168-R170 WeakPolarHBondContact CD2-O 3.02Å; R170-C199 WeakPolarHBondContact CA-O 3.18Å |
| 171 | G | 95.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 84.6 Ų | 84.6 | 11% | 0.113 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | -163.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T160 K198 C199 | T160-G171 CarbonylContact O-C 3.59Å; T160-G171 VanDerWaalsContact O-CA 3.26Å; T160-G171 WeakPolarHBondContact O-CA 3.46Å; G171-K198 WeakPolarHBondContact O-CA 3.35Å; G171-C199 PolarHBondContact N-O 3.3Å; G171-C199 PolarHBondContact O-N 3.07Å; G171-C199 PolarHBondContact O-SG 3.05Å |
| 172 | T | 96.9 | Very high | 94 | Very high | 62 Ų | 62 | 85.6 Ų | 85.6 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.2 | 174.2 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | T160 T196 R197 C199 | T160-T172 PolarHBondContact N-O 2.83Å; T160-T172 PolarHBondContact O-N 2.82Å; T160-T172 PolarHBondContact OG1-O 3.33Å; T172-T196 HydrophobicContact CG2-CG2 4.32Å; T172-R197 CarbonylContact C-O 3.5Å; T172-R197 VanDerWaalsContact CA-O 3.23Å; T172-R197 WeakPolarHBondContact CA-O 3.47Å; T172-C199 VanDerWaalsContact CA-SG 3.54Å; T172-C199 PolarHBondContact N-SG 2.9Å; T172-C199 VanDerWaalsContact N-SG 3.39Å |
| 173 | E | 96.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.107 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.7 | 171.7 | 56.8 | -170.3 | -176.5 | 0 | 0 | 108.3 | W156 S157 T196 R197 C199 | W156-E173 HydrophobicContact CD2-CG 4.2Å; W156-E173 HydrophobicContact CE3-CB 4.12Å; W156-E173 HydrophobicContact CE3-CG 3.63Å; W156-E173 HydrophobicContact CZ3-CG 4.12Å; S157-E173 WeakPolarHBondContact O-CB 3.49Å; E173-T196 WeakPolarHBondContact O-CA 3.18Å; E173-R197 HydrophobicContact CG-CB 4.22Å; E173-R197 PolarHBondContact N-O 3.07Å; E173-R197 PolarHBondContact O-N 3.31Å; E173-R197 IonicContact OE1-CZ 2.92Å; E173-R197 IonicContact OE1-NE 3.1Å; E173-R197 PolarHBondContact OE1-NE 2.93Å; E173-R197 IonicContact OE1-NH2 2.76Å; E173-R197 PolarHBondContact OE1-NH2 2.95Å; E173-C199 HydrophobicContact CG-CB 4.08Å |
| 174 | T | 96.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 76.1 Ų | 76.1 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.1 | -177.8 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | S157 E195 T196 | S157-T174 WeakPolarHBondContact CB-O 3.33Å; S157-T174 PolarHBondContact N-O 2.84Å; S157-T174 PolarHBondContact OG-N 2.48Å; S157-T174 PolarHBondContact OG-O 2.88Å; S157-T174 VanDerWaalsContact OG-O 3.1Å; S157-T174 PolarHBondContact OG-OG1 3.43Å; T174-E195 CarbonylContact C-O 3.54Å; T174-E195 VanDerWaalsContact CA-O 3.27Å; T174-E195 WeakPolarHBondContact CA-O 3.28Å; T174-T196 HydrophobicContact CG2-CG2 3.85Å; T174-T196 WeakPolarHBondContact CG2-OG1 3.4Å |
| 175 | R | 97.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 21% | 0.211 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.4 | 166.5 | 63.6 | 177.1 | -176.8 | 173.4 | -0.4 | 109.6 | W153 W156 N194 E195 | W153-R175 HydrophobicContact CD2-CG 4.15Å; W153-R175 HydrophobicContact CE3-CB 4.24Å; W153-R175 HydrophobicContact CE3-CG 3.54Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.88Å; W156-R175 HydrophobicContact CD2-CB 4.1Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.83Å; W156-R175 HydrophobicContact CE3-CG 3.81Å; W156-R175 HydrophobicContact CH2-CG 3.73Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 HydrophobicContact CZ3-CB 4.13Å; W156-R175 HydrophobicContact CZ3-CG 3.64Å; R175-N194 WeakPolarHBondContact O-CA 3.37Å; R175-E195 HydrophobicContact CG-CB 3.99Å; R175-E195 IonicContact CZ-OE2 2.64Å; R175-E195 PolarHBondContact N-O 3.14Å; R175-E195 IonicContact NE-OE2 3.18Å; R175-E195 PolarHBondContact NE-OE2 3.07Å; R175-E195 IonicContact NH2-OE2 2.82Å; R175-E195 PolarHBondContact NH2-OE2 3.48Å; R175-E195 PolarHBondContact O-N 2.03Å |
| 176 | V | 96.9 | Very high | 94 | Very high | 73 Ų | 73 | 76.4 Ų | 76.4 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.4 | 178.7 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | N154 T193 N194 | N154-V176 VanDerWaalsContact CB-O 3.24Å; N154-V176 WeakPolarHBondContact CB-O 3.43Å; N154-V176 PolarHBondContact N-O 3.35Å; V176-T193 CarbonylContact C-O 3.53Å; V176-T193 VanDerWaalsContact CA-O 3.26Å; V176-T193 WeakPolarHBondContact CA-O 3.42Å; V176-N194 HydrophobicContact CG1-CB 4.34Å |
| 177 | R | 97.1 | Very high | 94 | Very high | 43 Ų | 43 | 75.5 Ų | 75.5 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | trans | -139.5 | 158 | 170 | 63.9 | 178.3 | 171.9 | 178.4 | -4.7 | 108.7 | W153 P191 P192 T193 | W153-R177 HydrophobicContact CD2-CB 4.17Å; W153-R177 HydrophobicContact CD2-CG 4.16Å; W153-R177 HydrophobicContact CE3-CB 3.75Å; W153-R177 HydrophobicContact CE3-CG 3.77Å; W153-R177 HydrophobicContact CH2-CG 3.95Å; W153-R177 HydrophobicContact CZ2-CG 4.31Å; W153-R177 VanDerWaalsContact CZ2-CZ 3.48Å; W153-R177 VanDerWaalsContact CZ2-NE 3.32Å; W153-R177 HydrophobicContact CZ3-CB 4.11Å; W153-R177 HydrophobicContact CZ3-CG 3.66Å; R177-P191 VanDerWaalsContact NH2-CB 3.34Å; R177-P192 VanDerWaalsContact CZ-O 3.27Å; R177-P192 PolarHBondContact NE-O 2.82Å; R177-P192 PolarHBondContact NH2-O 3.43Å; R177-T193 PolarHBondContact N-O 3.04Å; R177-T193 VanDerWaalsContact O-CB 3.3Å; R177-T193 WeakPolarHBondContact O-CB 3.05Å | ||
| 178 | E | 96 | Very high | 94 | Very high | 136 Ų | 136 | 78.3 Ų | 78.3 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | trans | -104.8 | 157.3 | -175.3 | -63.9 | -177.2 | 173.8 | 0 | 0 | 111.1 | V150 S151 | V150-E178 CarbonylContact C-O 3.57Å; V150-E178 VanDerWaalsContact CA-O 3.28Å; V150-E178 WeakPolarHBondContact CA-O 3.03Å; V150-E178 WeakPolarHBondContact CB-O 3.38Å; S151-E178 PolarHBondContact N-O 2.77Å; S151-E178 PolarHBondContact OG-N 3.02Å | ||
| 179 | I | 96.8 | Very high | 94 | Very high | 57 Ų | 57 | 85.3 Ų | 85.3 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.9 | 172.9 | -63.6 | 165.3 | 0 | 0 | 0 | 106.9 | V150 Q181 C190 T193 | V150-I179 HydrophobicContact CG1-CG1 4.12Å; I179-Q181 WeakPolarHBondContact CG2-O 3.17Å; I179-C190 HydrophobicContact CD1-CB 4.11Å; I179-C190 HydrophobicContact CG1-CB 4.41Å; I179-T193 HydrophobicContact CD1-CG2 4.05Å; I179-T193 HydrophobicContact CG1-CG2 3.75Å |
| 180 | M | 95.6 | Very high | 94 | Very high | 143 Ų | 143 | 81 Ų | 81 | 70% | 0.704 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -39 | 178.3 | -66.8 | -173.7 | 66 | 0 | 0 | 111.3 | E149 | E149-M180 PolarHBondContact O-N 3.15Å |
| 181 | Q | 94.9 | Very high | 94 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.9 | 178.1 | -169.8 | 173.3 | 63.1 | 0 | 0 | 109.3 | V146 H147 C148 E149 I179 | V146-Q181 HydrophobicContact CG1-CG 3.44Å; V146-Q181 VanDerWaalsContact CG1-CG 3.44Å; H147-Q181 PolarHBondContact O-OE1 2.03Å; C148-Q181 VanDerWaalsContact CA-O 3.31Å; C148-Q181 WeakPolarHBondContact CA-O 3.15Å; C148-Q181 PolarHBondContact SG-O 3.17Å; C148-Q181 VanDerWaalsContact SG-O 3.33Å; E149-Q181 HydrophobicContact CB-CB 3.78Å; E149-Q181 HydrophobicContact CG-CB 4.14Å; E149-Q181 PolarHBondContact N-O 3.09Å; E149-Q181 PolarHBondContact O-N 2.82Å; I179-Q181 WeakPolarHBondContact CG2-O 3.17Å |
| 182 | H | 93.1 | Very high | 94 | Very high | 130 Ų | 130 | 78 Ų | 78 | 60% | 0.602 | 43% | 0.428 | S | S | * | . | trans | -79.4 | 141.6 | 175 | -72.4 | 81.5 | 0 | 0 | 0 | 110 | ||||
| 183 | P | 93.8 | Very high | 94 | Very high | 41 Ų | 41 | 77.5 Ų | 77.5 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | trans | -72.8 | 149.3 | 179.5 | 30.2 | -32.1 | 0 | 0 | 0 | 110.2 | V146 C148 N188 C190 | V146-P183 CarbonylContact O-C 3.6Å; V146-P183 WeakPolarHBondContact O-CA 3.44Å; C148-P183 HydrophobicContact CB-CB 3.94Å; C148-P183 HydrophobicContact CB-CG 3.91Å; P183-N188 WeakPolarHBondContact CB-O 2.97Å; P183-C190 VanDerWaalsContact CD-SG 3.51Å | ||
| 184 | S | 91.8 | Very high | 94 | Very high | 34 Ų | 34 | 81.4 Ų | 81.4 | 24% | 0.238 | 45% | 0.446 | C | S | . | . | trans | -77.3 | -177.4 | 168.4 | 67.4 | 0 | 0 | 0 | 0 | 112 | E134 V146 K186 G187 | E134-S184 VanDerWaalsContact CD-OG 3.27Å; E134-S184 WeakPolarHBondContact OE1-CB 3.37Å; E134-S184 PolarHBondContact OE1-OG 2.98Å; E134-S184 PolarHBondContact OE2-OG 3.22Å; V146-S184 PolarHBondContact N-OG 3.48Å; V146-S184 VanDerWaalsContact N-OG 3.1Å; V146-S184 PolarHBondContact O-N 2.92Å; V146-S184 PolarHBondContact O-OG 3.49Å; S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.9Å; S184-G187 PolarHBondContact O-N 2.05Å; S184-G187 PolarHBondContact OG-N 2.81Å | ||
| 185 | A | 86.9 | Confident | 94 | Very high | 103 Ų | 103 | 81.7 Ų | 81.7 | 85% | 0.851 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -37.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E134 | E134-A185 PolarHBondContact OE2-N 3.11Š|
| 186 | K | 87.9 | Confident | 94 | Very high | 136 Ų | 136 | 83.1 Ų | 83.1 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4.5 | 173.2 | -63.5 | -170.5 | -176.1 | 179.5 | 0 | 113.6 | E134 I145 S184 | E134-K186 HydrophobicContact CB-CB 4.38Å; E134-K186 HydrophobicContact CB-CD 3.83Å; E134-K186 HydrophobicContact CB-CG 4.13Å; E134-K186 PolarHBondContact OE2-N 2.84Å; I145-K186 HydrophobicContact CD1-CB 4.32Å; I145-K186 HydrophobicContact CG1-CB 4.36Å; I145-K186 HydrophobicContact CG2-CB 4.4Å; S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.9Å |
| 187 | G | 89.3 | Confident | 94 | Very high | 16 Ų | 16 | 86 Ų | 86 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -70.6 | 164.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V146 S184 | V146-G187 WeakPolarHBondContact O-CA 2.97Å; S184-G187 PolarHBondContact O-N 2.05Å; S184-G187 PolarHBondContact OG-N 2.81Å |
| 188 | N | 91 | Very high | 94 | Very high | 104 Ų | 104 | 92.8 Ų | 92.8 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 141.4 | 174.9 | -71.8 | -35.8 | 0 | 0 | 0 | 109.7 | H147 C148 P183 | H147-N188 HydrophobicContact CB-CB 4.47Å; H147-N188 PolarHBondContact ND1-N 3.3Å; H147-N188 PolarHBondContact ND1-ND2 2.83Å; C148-N188 WeakPolarHBondContact CB-O 3.43Å; C148-N188 PolarHBondContact N-O 2.92Å; P183-N188 WeakPolarHBondContact CB-O 2.97Å |
| 189 | L | 92.3 | Very high | 93.9 | Very high | 162 Ų | 162 | 86.9 Ų | 86.9 | 85% | 0.848 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 145.6 | 176.5 | -65.3 | 178.5 | 0 | 0 | 0 | 111.3 | ||
| 190 | C | 94.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 89 Ų | 89 | 29% | 0.291 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 134.1 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | C148 I179 P183 | C148-C190 HydrophobicContact CB-CB 3.86Å; C148-C190 WeakPolarHBondContact CB-SG 3.31Å; C148-C190 WeakPolarHBondContact SG-CA 2.98Å; C148-C190 WeakPolarHBondContact SG-CB 3Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.71Å; I179-C190 HydrophobicContact CD1-CB 4.11Å; I179-C190 HydrophobicContact CG1-CB 4.41Å; P183-C190 VanDerWaalsContact CD-SG 3.51Å |
| 191 | P | 94.7 | Very high | 93.7 | Very high | 49 Ų | 49 | 84.6 Ų | 84.6 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 164.9 | 171.6 | 35.4 | -39.1 | 0 | 0 | 0 | 109.8 | V150 R177 T193 | V150-P191 HydrophobicContact CB-CG 4.43Å; V150-P191 HydrophobicContact CG1-CG 3.82Å; V150-P191 HydrophobicContact CG2-CG 3.69Å; R177-P191 VanDerWaalsContact NH2-CB 3.34Å; P191-T193 PolarHBondContact O-N 3.47Å |
| 192 | P | 94.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 89 Ų | 89 | 59% | 0.591 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 137.2 | -175.3 | 23 | -33.7 | 0 | 0 | 0 | 112 | R177 | R177-P192 VanDerWaalsContact CZ-O 3.27Å; R177-P192 PolarHBondContact NE-O 2.82Å; R177-P192 PolarHBondContact NH2-O 3.43Å |
| 193 | T | 96.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 92 Ų | 92 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -92.6 | -8.2 | -178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | V176 R177 I179 P191 | V176-T193 CarbonylContact C-O 3.53Å; V176-T193 VanDerWaalsContact CA-O 3.26Å; V176-T193 WeakPolarHBondContact CA-O 3.42Å; R177-T193 PolarHBondContact N-O 3.04Å; R177-T193 VanDerWaalsContact O-CB 3.3Å; R177-T193 WeakPolarHBondContact O-CB 3.05Å; I179-T193 HydrophobicContact CD1-CG2 4.05Å; I179-T193 HydrophobicContact CG1-CG2 3.75Å; P191-T193 PolarHBondContact O-N 3.47Å |
| 194 | N | 96.3 | Very high | 93 | Very high | 104 Ų | 104 | 97.7 Ų | 97.7 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.5 | 174.5 | 65.8 | 58.9 | 0 | 0 | 0 | 110.6 | R175 V176 | R175-N194 WeakPolarHBondContact O-CA 3.37Å; V176-N194 HydrophobicContact CG1-CB 4.34Å |
| 195 | E | 97.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 105.8 Ų | 105.8 | 33% | 0.332 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 136.5 | 173.4 | -169.9 | -178.2 | -179.5 | 0 | 0 | 109.5 | W153 W156 T174 R175 | W153-E195 HydrophobicContact CH2-CB 3.78Å; W153-E195 HydrophobicContact CZ2-CB 4.38Å; W153-E195 HydrophobicContact CZ3-CB 4.09Å; W156-E195 HydrophobicContact CH2-CB 4.3Å; W156-E195 HydrophobicContact CH2-CG 3.97Å; T174-E195 CarbonylContact C-O 3.54Å; T174-E195 VanDerWaalsContact CA-O 3.27Å; T174-E195 WeakPolarHBondContact CA-O 3.28Å; R175-E195 HydrophobicContact CG-CB 3.99Å; R175-E195 IonicContact CZ-OE2 2.64Å; R175-E195 PolarHBondContact N-O 3.14Å; R175-E195 IonicContact NE-OE2 3.18Å; R175-E195 PolarHBondContact NE-OE2 3.07Å; R175-E195 IonicContact NH2-OE2 2.82Å; R175-E195 PolarHBondContact NH2-OE2 3.48Å; R175-E195 PolarHBondContact O-N 2.03Å |
| 196 | T | 96.5 | Very high | 92.6 | Very high | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.5 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | T172 E173 T174 | T172-T196 HydrophobicContact CG2-CG2 4.32Å; E173-T196 WeakPolarHBondContact O-CA 3.18Å; T174-T196 HydrophobicContact CG2-CG2 3.85Å; T174-T196 WeakPolarHBondContact CG2-OG1 3.4Å |
| 197 | R | 96.3 | Very high | 92.2 | Very high | 134 Ų | 134 | 106.4 Ų | 106.4 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.2 | 177.7 | -165 | 178.2 | 72.8 | 170.6 | 1.9 | 111.4 | W156 T172 E173 | W156-R197 HydrophobicContact CH2-CB 3.73Å; W156-R197 HydrophobicContact CZ2-CB 4.45Å; W156-R197 HydrophobicContact CZ3-CB 3.88Å; T172-R197 CarbonylContact C-O 3.5Å; T172-R197 VanDerWaalsContact CA-O 3.23Å; T172-R197 WeakPolarHBondContact CA-O 3.47Å; E173-R197 HydrophobicContact CG-CB 4.22Å; E173-R197 PolarHBondContact N-O 3.07Å; E173-R197 PolarHBondContact O-N 3.31Å; E173-R197 IonicContact OE1-CZ 2.92Å; E173-R197 IonicContact OE1-NE 3.1Å; E173-R197 PolarHBondContact OE1-NE 2.93Å; E173-R197 IonicContact OE1-NH2 2.76Å; E173-R197 PolarHBondContact OE1-NH2 2.95Å |
| 198 | K | 97.1 | Very high | 91.4 | Very high | 185 Ų | 185 | 115.4 Ų | 115.4 | 80% | 0.804 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.4 | 170.2 | -65 | 175.6 | -175.6 | 169.7 | 0 | 109.6 | G171 | G171-K198 WeakPolarHBondContact O-CA 3.35Å |
| 199 | C | 94.9 | Very high | 89.9 | Confident | 12 Ų | 12 | 113.6 Ų | 113.6 | 8% | 0.081 | 57% | 0.574 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.2 | 179.4 | 48 | 0 | 0 | 0 | 0 | 110.9 | C159 R170 G171 T172 E173 | C159-C199 WeakPolarHBondContact CA-SG 3.24Å; C159-C199 HydrophobicContact CB-CB 3.85Å; C159-C199 WeakPolarHBondContact CB-SG 3.4Å; C159-C199 WeakPolarHBondContact SG-CB 3.42Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.83Å; R170-C199 WeakPolarHBondContact CA-O 3.18Å; G171-C199 PolarHBondContact N-O 3.3Å; G171-C199 PolarHBondContact O-N 3.07Å; G171-C199 PolarHBondContact O-SG 3.05Å; T172-C199 VanDerWaalsContact CA-SG 3.54Å; T172-C199 PolarHBondContact N-SG 2.9Å; T172-C199 VanDerWaalsContact N-SG 3.39Å; E173-C199 HydrophobicContact CG-CB 4.08Å |
| 200 | T | 94.9 | Very high | 87.8 | Confident | 102 Ų | 102 | 115.3 Ų | 115.3 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.9 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | K169 | K169-T200 HydrophobicContact CG-CG2 4.22Å; K169-T200 CarbonylContact O-C 3.56Å; K169-T200 VanDerWaalsContact O-CA 3.26Å; K169-T200 WeakPolarHBondContact O-CA 3.36Å; K169-T200 WeakPolarHBondContact O-CG2 3.48Å |
| 201 | V | 93.4 | Very high | 85.6 | Confident | 50 Ų | 50 | 124.6 Ų | 124.6 | 30% | 0.303 | 61% | 0.606 | S | S | . | * | trans | -128.6 | 159.2 | -177.6 | -64.5 | 0 | 0 | 0 | 0 | 111 | C159 F168 K169 | C159-V201 HydrophobicContact CB-CG1 3.61Å; F168-V201 HydrophobicContact CD2-CG2 3.93Å; F168-V201 HydrophobicContact CE2-CG2 3.48Å; F168-V201 VanDerWaalsContact CE2-CG2 3.48Å; F168-V201 HydrophobicContact CZ-CG2 4.12Å; K169-V201 WeakPolarHBondContact CA-O 3.24Å; K169-V201 PolarHBondContact O-N 3.47Å | ||
| 202 | Q | 90.4 | Very high | 83.2 | Confident | 164 Ų | 164 | 125.7 Ų | 125.7 | 77% | 0.766 | 63% | 0.627 | S | S | * | * | trans | -68.5 | 136 | 172.1 | -64.4 | -63.6 | -5.6 | 0 | 0 | 110.5 | K204 | Q202-K204 PolarHBondContact O-N 3.05Š| ||
| 203 | R | 88.4 | Confident | 80.8 | Confident | 194 Ų | 194 | 131.4 Ų | 131.4 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | trans | -75.6 | 89.5 | -173.6 | -162.9 | 173.2 | 80.7 | 166.8 | 3.5 | 110.9 | ||||
| 204 | K | 86.8 | Confident | 78.1 | Confident | 159 Ų | 159 | 138.9 Ų | 138.9 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 140.2 | 173.5 | -62.9 | -177.8 | -178.3 | -178.5 | 0 | 111.1 | G167 Q202 | G167-K204 WeakPolarHBondContact CA-O 3.45Å; G167-K204 PolarHBondContact N-O 3.3Å; Q202-K204 PolarHBondContact O-N 3.05Å |
| 205 | K | 84.6 | Confident | 75.5 | Confident | 204 Ų | 204 | 137.5 Ų | 137.5 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.3 | 171.9 | -76.2 | -178.4 | -179.8 | 175 | 0 | 109.1 | Q207 | K205-Q207 PolarHBondContact O-N 3.33Š|
| 206 | C | 85.8 | Confident | 72.7 | Confident | 59 Ų | 59 | 146.1 Ų | 146.1 | 40% | 0.399 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 127.6 | 171.9 | -65 | 0 | 0 | 0 | 0 | 109.7 | C166 K208 | C166-C206 HydrophobicContact CB-CB 4.09Å; C166-C206 WeakPolarHBondContact CB-SG 3.42Å; C166-C206 PolarHBondContact O-SG 3.43Å; C166-C206 VanDerWaalsContact O-SG 3.39Å; C166-C206 WeakPolarHBondContact SG-CA 3.29Å; C166-C206 WeakPolarHBondContact SG-CB 3.33Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 2.04Å; C206-K208 PolarHBondContact O-N 2.84Å |
| 207 | Q | 81.3 | Confident | 70.2 | Confident | 193 Ų | 193 | 150.7 Ų | 150.7 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 122.8 | 167.7 | -68.7 | -175.9 | -3.8 | 0 | 0 | 108 | K205 G209 | K205-Q207 PolarHBondContact O-N 3.33Å; Q207-G209 PolarHBondContact O-N 3.4Å |
| 208 | K | 72.3 | Confident | 67.8 | Low | 206 Ų | 206 | 155.8 Ų | 155.8 | 90% | 0.896 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 117.9 | 170.4 | -77.4 | -179.5 | 176.9 | 176.8 | 0 | 106.3 | C206 E210 | C206-K208 PolarHBondContact O-N 2.84Å; K208-E210 PolarHBondContact O-N 2.84Å |
| 209 | G | 59.7 | Low | 65.1 | Low | 66 Ų | 66 | 156.7 Ų | 156.7 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 136.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q207 R211 | Q207-G209 PolarHBondContact O-N 3.4Å; G209-R211 PolarHBondContact O-N 2.74Å |
| 210 | E | 46.7 | Very low | 62.6 | Low | 198 Ų | 198 | 167.9 Ų | 167.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -56.8 | 101.2 | 178.3 | -67.5 | -176.7 | 131.8 | 0 | 0 | 109.7 | K208 G212 | K208-E210 PolarHBondContact O-N 2.84Å; E210-G212 PolarHBondContact O-N 2.9Å | ||
| 211 | R | 48.4 | Very low | 59.7 | Low | 237 Ų | 237 | 173.2 Ų | 173.2 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -70.6 | 112.5 | 160.4 | -74.8 | -177.7 | 175.6 | -178.7 | -3.6 | 106.3 | G209 K213 | G209-R211 PolarHBondContact O-N 2.74Å; R211-K213 PolarHBondContact O-N 3.45Å | ||
| 212 | G | 45.6 | Very low | 57 | Low | 73 Ų | 73 | 180.5 Ų | 180.5 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | -43.8 | 125.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E210 K214 | E210-G212 PolarHBondContact O-N 2.9Å; G212-K214 PolarHBondContact O-N 3.16Å | ||
| 213 | K | 44.1 | Very low | 54.8 | Low | 210 Ų | 210 | 178 Ų | 178 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -69.7 | 103.4 | 171.1 | -72.3 | 175.2 | 177.9 | 172.2 | 0 | 108.6 | R211 | R211-K213 PolarHBondContact O-N 3.45Š| ||
| 214 | K | 40.4 | Very low | 52 | Low | 208 Ų | 208 | 176 Ų | 176 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | trans | -91.1 | 122.2 | 151 | -80.7 | -168.3 | 176.5 | -176.7 | 0 | 108.1 | G212 | G212-K214 PolarHBondContact O-N 3.16Š| ||
| 215 | G | 40.1 | Very low | 49.4 | Very low | 76 Ų | 76 | 178.1 Ų | 178.1 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | -58.9 | 143.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 216 | R | 40 | Very low | 46.7 | Very low | 251 Ų | 251 | 171.5 Ų | 171.5 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | trans | -92.6 | 94.9 | 164 | -89.6 | -177.8 | 169 | 178.4 | -3.3 | 108.3 | ||||
| 217 | E | 42.3 | Very low | 44 | Very low | 184 Ų | 184 | 177.5 Ų | 177.5 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -74.7 | 129.6 | 161.9 | -155.5 | 172.9 | 180 | 0 | 0 | 108.6 | ||||
| 218 | R | 46.3 | Very low | 41.5 | Very low | 241 Ų | 241 | 173.1 Ų | 173.1 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -84.5 | 113.4 | -179.8 | -75 | 176.1 | 170.5 | 178.7 | -2.5 | 109.5 | ||||
| 219 | K | 39.8 | Very low | 39.4 | Very low | 204 Ų | 204 | 171.8 Ų | 171.8 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | trans | -140.5 | 120.1 | 149.1 | -78.8 | -171.1 | 178.6 | 167.1 | 0 | 111 | ||||
| 220 | R | 43.2 | Very low | 37.8 | Very low | 246 Ų | 246 | 177.2 Ų | 177.2 | 93% | 0.928 | 85% | 0.848 | S | S | * | * | trans | -79.2 | 134.6 | 167.3 | -83.7 | 176.4 | 164.7 | 175.8 | -5.3 | 108.9 | ||||
| 221 | K | 34 | Very low | 36.8 | Very low | 215 Ų | 215 | 172.6 Ų | 172.6 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | trans | -166.7 | 128.7 | 139 | -102.2 | 174.6 | -175 | -173.1 | 0 | 108.8 | ||||
| 222 | K | 36.4 | Very low | 36.3 | Very low | 202 Ų | 202 | 169 Ų | 169 | 88% | 0.878 | 84% | 0.841 | S | S | * | * | trans | -110.8 | 160.5 | 164.1 | -102 | -173.5 | 177.2 | -174.1 | 0 | 105.7 | ||||
| 223 | P | 44.2 | Very low | 36.2 | Very low | 113 Ų | 113 | 170.4 Ų | 170.4 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | cis | -153.4 | 170.6 | 41.4 | 41.5 | -19.6 | 0 | 0 | 0 | 119.2 | ||||
| 224 | N | 30.5 | Very low | 35.4 | Very low | 151 Ų | 151 | 167.6 Ų | 167.6 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | 65.9 | 139.1 | 138.3 | -97.2 | -1.2 | 0 | 0 | 0 | 127.8 | ||||
| 225 | K | 31.3 | Very low | 35.4 | Very low | 203 Ų | 203 | 162.9 Ų | 162.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | 75.7 | 127.8 | 145.5 | -111.1 | 175.7 | 171 | -177.2 | 0 | 117.4 | ||||
| 226 | G | 27.8 | Very low | 34.9 | Very low | 66 Ų | 66 | 169.4 Ų | 169.4 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | cis | -177.4 | 166.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 227 | E | 29.3 | Very low | 34.4 | Very low | 184 Ų | 184 | 161.5 Ų | 161.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 53.4 | 107.9 | 155.7 | -75.8 | 167.2 | 121.4 | 0 | 0 | 121.1 | ||||
| 228 | S | 28.6 | Very low | 34.1 | Very low | 101 Ų | 101 | 160.6 Ų | 160.6 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | 111 | 136.8 | 86.6 | 69.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 229 | K | 28.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | cis | -154 | 153.7 | 31.5 | -67.3 | 178.2 | 174.7 | -178.7 | 0 | 113.1 | ||||
| 230 | E | 25.9 | Very low | 32.9 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | 64.3 | 128.5 | 141.9 | -79.5 | 169.5 | 141.1 | 0 | 0 | 126.3 | ||||
| 231 | A | 25.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 109.7 | 119.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 232 | I | 37.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -121.1 | 151.8 | 160 | -63.5 | 178.2 | 0 | 0 | 0 | 104.3 | ||||
| 233 | P | 45.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 142 Ų | 142 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -133.8 | 169.2 | 17.5 | 15.7 | 12 | 0 | 0 | 0 | 114.9 | ||||
| 234 | D | 27 | Very low | 33.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 168 | 153.5 | 89.8 | -125.8 | -32.9 | 0 | 0 | 0 | 114.1 | |||||
| 235 | S | 40.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -98.7 | 120.3 | -179.1 | -50 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | K | 29.3 | Very low | 34.6 | Very low | 213 Ų | 213 | 135.7 Ų | 135.7 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -146.3 | 100.9 | 157 | -80.4 | -171.2 | -178.6 | 167.1 | 0 | 111.1 | ||||
| 237 | G | 28.4 | Very low | 35.4 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | trans | -111.3 | 94.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 238 | L | 37.1 | Very low | 36.3 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -96.5 | 112.3 | 171.1 | -156.4 | 88.3 | 0 | 0 | 0 | 105.8 | ||||
| 239 | E | 29 | Very low | 37.3 | Very low | 199 Ų | 199 | 138 Ų | 138 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -120.7 | 117.2 | 164.3 | -113.2 | -179.4 | 166.8 | 0 | 0 | 110 | ||||
| 240 | S | 31.2 | Very low | 38.4 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 129.1 | -173.2 | 175 | 0 | 0 | 0 | 0 | 109.1 | K242 | S240-K242 PolarHBondContact O-N 3.19Š|
| 241 | S | 37.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.4 | 175.9 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 242 | K | 39.1 | Very low | 40.9 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 90% | 0.896 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.6 | 173.9 | -94.3 | 174.7 | 172.4 | 172.8 | 0 | 111.4 | S240 | S240-K242 PolarHBondContact O-N 3.19Š|
| 243 | E | 40.5 | Very low | 41.6 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 40% | 0.402 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 142.2 | 168.9 | -70.3 | 178.1 | 149.4 | 0 | 0 | 111.1 | K251 | E243-K251 IonicContact OE1-NZ 2.77Å; E243-K251 PolarHBondContact OE1-NZ 2.86Å |
| 244 | T | 47.6 | Very low | 42 | Very low | 75 Ų | 75 | 132 Ų | 132 | 46% | 0.46 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 153.3 | 176 | 36 | 0 | 0 | 0 | 0 | 112.5 | E246 Q247 R248 | T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.06Å; T244-Q247 WeakPolarHBondContact O-CB 3.4Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-OE1 3.19Å; T244-R248 PolarHBondContact O-N 2.81Å |
| 245 | P | 43.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -56.1 | -39.6 | -177.4 | -26.4 | 35.2 | 0 | 0 | 0 | 114.7 | Q247 R248 E249 | P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.84Å; P245-R248 WeakPolarHBondContact O-CB 3.3Å; P245-R248 PolarHBondContact O-N 3.02Å; P245-R248 VanDerWaalsContact O-N 3.11Å; P245-E249 PolarHBondContact O-N 2.85Å |
| 246 | E | 47.1 | Very low | 43.6 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.6 | -33.4 | 174.9 | -96.1 | 175.9 | 137.7 | 0 | 0 | 113.3 | T244 R248 N250 | T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.06Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.91Å; E246-N250 PolarHBondContact O-N 2.92Å |
| 247 | Q | 44.5 | Very low | 44.9 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 51% | 0.509 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.3 | -25.7 | 177.8 | -67.7 | 178.8 | -11.2 | 0 | 0 | 111.8 | T244 P245 K251 | T244-Q247 WeakPolarHBondContact O-CB 3.4Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-OE1 3.19Å; P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.84Å; Q247-K251 WeakPolarHBondContact O-CB 3.36Å; Q247-K251 PolarHBondContact O-N 2.8Å |
| 248 | R | 47.5 | Very low | 45.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 59% | 0.592 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.7 | -39.3 | 176.4 | -76.1 | -178.7 | 171.6 | -175 | -2.4 | 112.4 | T244 P245 E246 K251 Q252 | T244-R248 PolarHBondContact O-N 2.81Å; P245-R248 WeakPolarHBondContact O-CB 3.3Å; P245-R248 PolarHBondContact O-N 3.02Å; P245-R248 VanDerWaalsContact O-N 3.11Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.91Å; R248-K251 PolarHBondContact O-N 3.27Å; R248-Q252 PolarHBondContact O-N 3.01Å; R248-Q252 VanDerWaalsContact O-N 3.11Å |
| 249 | E | 51.1 | Low | 46.9 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.2 | -44.5 | 177.1 | -71.8 | -171.9 | 150 | 0 | 0 | 111.4 | P245 K251 Q252 Q253 | P245-E249 PolarHBondContact O-N 2.85Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.9Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; E249-Q253 PolarHBondContact O-N 3.44Å |
| 250 | N | 50.1 | Low | 48.1 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.6 | -36.2 | 178.6 | -116.8 | -29.9 | 0 | 0 | 0 | 112.8 | E246 Q254 | E246-N250 PolarHBondContact O-N 2.92Å; N250-Q254 WeakPolarHBondContact O-CB 3.3Å; N250-Q254 PolarHBondContact O-N 3.12Å |
| 251 | K | 50.3 | Low | 49.2 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.4 | -35.1 | 176.7 | -133.9 | 173.3 | -169.2 | 174.6 | 0 | 112.1 | E243 Q247 R248 E249 K255 | E243-K251 IonicContact OE1-NZ 2.77Å; E243-K251 PolarHBondContact OE1-NZ 2.86Å; Q247-K251 WeakPolarHBondContact O-CB 3.36Å; Q247-K251 PolarHBondContact O-N 2.8Å; R248-K251 PolarHBondContact O-N 3.27Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.9Å; K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 2.96Å; K251-K255 VanDerWaalsContact O-N 3.12Å |
| 252 | Q | 53.8 | Low | 49.9 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.5 | -38.5 | 175 | -83.5 | -175.4 | -8.7 | 0 | 0 | 112.1 | R248 E249 K255 K256 | R248-Q252 PolarHBondContact O-N 3.01Å; R248-Q252 VanDerWaalsContact O-N 3.11Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; Q252-K255 PolarHBondContact O-N 2.04Å; Q252-K256 PolarHBondContact O-N 3.14Å |
| 253 | Q | 53.3 | Low | 50.6 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.6 | -40.2 | 176.6 | -116.8 | 163.5 | -3.5 | 0 | 0 | 112.4 | E249 K256 R257 | E249-Q253 PolarHBondContact O-N 3.44Å; Q253-K256 PolarHBondContact O-N 2.03Å; Q253-R257 WeakPolarHBondContact O-CG 3.4Å; Q253-R257 PolarHBondContact O-N 3.25Å; Q253-R257 VanDerWaalsContact O-N 3.08Å |
| 254 | Q | 53.2 | Low | 51.1 | Low | 127 Ų | 127 | 130.7 Ų | 130.7 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 172.6 | -85.9 | -175.5 | -12.3 | 0 | 0 | 113.1 | N250 K258 | N250-Q254 WeakPolarHBondContact O-CB 3.3Å; N250-Q254 PolarHBondContact O-N 3.12Å; Q254-K258 WeakPolarHBondContact O-CG 3.49Å; Q254-K258 PolarHBondContact O-N 2.97Å; Q254-K258 VanDerWaalsContact O-N 3.14Å |
| 255 | K | 50.9 | Low | 51.3 | Low | 157 Ų | 157 | 134.9 Ų | 134.9 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -40.6 | 174.8 | -87.9 | -175 | 175.2 | -176.7 | 0 | 112.1 | K251 Q252 K258 V259 | K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 2.96Å; K251-K255 VanDerWaalsContact O-N 3.12Å; Q252-K255 PolarHBondContact O-N 2.04Å; K255-K258 PolarHBondContact O-N 2.77Å; K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 2.78Å |
| 256 | K | 51.1 | Low | 51.8 | Low | 150 Ų | 150 | 132.8 Ų | 132.8 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.9 | -42 | 176.4 | -76.5 | -177.4 | 177.3 | -178.9 | 0 | 112.3 | Q252 Q253 K258 V259 Q260 | Q252-K256 PolarHBondContact O-N 3.14Å; Q253-K256 PolarHBondContact O-N 2.03Å; K256-K258 PolarHBondContact O-N 3.09Å; K256-V259 PolarHBondContact O-N 2.84Å; K256-Q260 PolarHBondContact O-N 3.11Å |
| 257 | R | 55.8 | Low | 51.8 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 175.6 | -71.7 | -178.1 | -177.9 | -174.2 | 1.7 | 112.8 | Q253 V259 Q260 D261 | Q253-R257 WeakPolarHBondContact O-CG 3.4Å; Q253-R257 PolarHBondContact O-N 3.25Å; Q253-R257 VanDerWaalsContact O-N 3.08Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 2.86Å; R257-Q260 PolarHBondContact O-N 2.8Å; R257-D261 PolarHBondContact O-N 3.29Å |
| 258 | K | 49.5 | Very low | 52.2 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.7 | -27.1 | 177 | -78.9 | -175.3 | 177 | -177.3 | 0 | 114.5 | Q254 K255 K256 K262 | Q254-K258 WeakPolarHBondContact O-CG 3.49Å; Q254-K258 PolarHBondContact O-N 2.97Å; Q254-K258 VanDerWaalsContact O-N 3.14Å; K255-K258 PolarHBondContact O-N 2.77Å; K256-K258 PolarHBondContact O-N 3.09Å; K258-K262 WeakPolarHBondContact O-CB 3Å; K258-K262 PolarHBondContact O-N 2.03Å |
| 259 | V | 58 | Low | 52.3 | Low | 89 Ų | 89 | 126.1 Ų | 126.1 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.9 | -39 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | K255 K256 R257 K262 Q263 | K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 2.78Å; K256-V259 PolarHBondContact O-N 2.84Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 2.86Å; V259-K262 PolarHBondContact O-N 2.84Å; V259-Q263 PolarHBondContact O-N 2.82Å; V259-Q263 VanDerWaalsContact O-N 3.12Å |
| 260 | Q | 53.3 | Low | 52.4 | Low | 129 Ų | 129 | 124 Ų | 124 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -43.9 | 175 | -79.8 | 178.7 | -30.8 | 0 | 0 | 112.5 | K256 R257 K262 Q263 Q264 | K256-Q260 PolarHBondContact O-N 3.11Å; R257-Q260 PolarHBondContact O-N 2.8Å; Q260-K262 PolarHBondContact O-N 2.97Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q260-Q264 PolarHBondContact O-N 3.18Å |
| 261 | D | 54.6 | Low | 52.4 | Low | 119 Ų | 119 | 123.5 Ų | 123.5 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.6 | -33.1 | 175.1 | -100.9 | -9.9 | 0 | 0 | 0 | 112.5 | R257 K265 | R257-D261 PolarHBondContact O-N 3.29Å; D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 3.23Å; D261-K265 VanDerWaalsContact O-N 3.07Å |
| 262 | K | 53 | Low | 52.5 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.5 | -34.1 | 179.7 | -154.7 | 175.4 | -176.6 | -174.1 | 0 | 112.2 | K258 V259 Q260 S266 | K258-K262 WeakPolarHBondContact O-CB 3Å; K258-K262 PolarHBondContact O-N 2.03Å; V259-K262 PolarHBondContact O-N 2.84Å; Q260-K262 PolarHBondContact O-N 2.97Å; K262-S266 PolarHBondContact O-N 3.29Å; K262-S266 PolarHBondContact O-OG 2.79Å |
| 263 | Q | 53.9 | Low | 52.3 | Low | 133 Ų | 133 | 120.7 Ų | 120.7 | 62% | 0.621 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.5 | -34.3 | 173.7 | -88.1 | 170.9 | -43.9 | 0 | 0 | 112.7 | V259 Q260 S266 G267 | V259-Q263 PolarHBondContact O-N 2.82Å; V259-Q263 VanDerWaalsContact O-N 3.12Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q263-S266 WeakPolarHBondContact CA-OG 3.46Å; Q263-S266 PolarHBondContact O-OG 3.11Å; Q263-G267 PolarHBondContact O-N 2.03Å; Q263-G267 VanDerWaalsContact O-N 3.08Å |
| 264 | Q | 50.8 | Low | 52.1 | Low | 133 Ų | 133 | 122.1 Ų | 122.1 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.6 | -34.8 | 177.9 | -161.4 | 141 | 0.6 | 0 | 0 | 111.9 | Q260 G267 I268 | Q260-Q264 PolarHBondContact O-N 3.18Å; Q264-G267 PolarHBondContact O-N 3.1Å; Q264-I268 HydrophobicContact CG-CD1 4.36Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.28Å; Q264-I268 WeakPolarHBondContact O-CG1 3.44Å; Q264-I268 PolarHBondContact O-N 3.36Å |
| 265 | K | 52.6 | Low | 51.7 | Low | 164 Ų | 164 | 118.3 Ų | 118.3 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.4 | -34.7 | 175.5 | -150.9 | 171.5 | -172.5 | -179.2 | 0 | 113 | D261 E269 | D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 3.23Å; D261-K265 VanDerWaalsContact O-N 3.07Å; K265-E269 PolarHBondContact O-N 3.05Å |
| 266 | S | 52.8 | Low | 51.6 | Low | 61 Ų | 61 | 117.9 Ų | 117.9 | 43% | 0.427 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.8 | -29.3 | 173 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | K262 Q263 V270 | K262-S266 PolarHBondContact O-N 3.29Å; K262-S266 PolarHBondContact O-OG 2.79Å; Q263-S266 WeakPolarHBondContact CA-OG 3.46Å; Q263-S266 PolarHBondContact O-OG 3.11Å; S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 2.81Å |
| 267 | G | 47.5 | Very low | 51.3 | Low | 37 Ų | 37 | 116.9 Ų | 116.9 | 38% | 0.381 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.7 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q263 Q264 E269 V270 T271 | Q263-G267 PolarHBondContact O-N 2.03Å; Q263-G267 VanDerWaalsContact O-N 3.08Å; Q264-G267 PolarHBondContact O-N 3.1Å; G267-E269 VanDerWaalsContact C-N 3.34Å; G267-V270 PolarHBondContact O-N 2.77Å; G267-T271 PolarHBondContact O-N 2.75Å; G267-T271 PolarHBondContact O-OG1 2.66Å |
| 268 | I | 53.4 | Low | 50.8 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 48% | 0.482 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.6 | -32.6 | 178.3 | -66.5 | 165.2 | 0 | 0 | 0 | 111.4 | Q264 T271 L272 | Q264-I268 HydrophobicContact CG-CD1 4.36Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.28Å; Q264-I268 WeakPolarHBondContact O-CG1 3.44Å; Q264-I268 PolarHBondContact O-N 3.36Å; I268-T271 PolarHBondContact O-OG1 3.23Å; I268-T271 VanDerWaalsContact O-OG1 3.07Å; I268-L272 HydrophobicContact CG2-CD1 4.25Å; I268-L272 PolarHBondContact O-N 2.94Å |
| 269 | E | 49.9 | Very low | 50.8 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.2 | -28.7 | 179.3 | -145.8 | 167.4 | -160.5 | 0 | 0 | 112.2 | K265 G267 | K265-E269 PolarHBondContact O-N 3.05Å; G267-E269 VanDerWaalsContact C-N 3.34Å |
| 270 | V | 51.9 | Low | 50.3 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -78.7 | -37.1 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | S266 G267 L272 A273 | S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 2.81Å; G267-V270 PolarHBondContact O-N 2.77Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.43Å; V270-A273 PolarHBondContact O-N 3.15Å |
| 271 | T | 50.8 | Low | 49.7 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.3 | -23.1 | 178 | 49.5 | 0 | 0 | 0 | 0 | 114 | G267 I268 | G267-T271 PolarHBondContact O-N 2.75Å; G267-T271 PolarHBondContact O-OG1 2.66Å; I268-T271 PolarHBondContact O-OG1 3.23Å; I268-T271 VanDerWaalsContact O-OG1 3.07Å |
| 272 | L | 51.5 | Low | 49.1 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.3 | -21.7 | 175.3 | -105.3 | 146.5 | 0 | 0 | 0 | 113 | I268 V270 | I268-L272 HydrophobicContact CG2-CD1 4.25Å; I268-L272 PolarHBondContact O-N 2.94Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.43Å |
| 273 | A | 49.7 | Very low | 48.6 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.8 | -30.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V270 | V270-A273 PolarHBondContact O-N 3.15Å |
| 274 | E | 49.6 | Very low | 48.1 | Very low | 146 Ų | 146 | 118.7 Ų | 118.7 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -83.4 | -16.9 | 179.1 | -64.7 | -174.6 | 158.1 | 0 | 0 | 113.5 | T277 | E274-T277 PolarHBondContact O-OG1 3.17Å |
| 275 | G | 45.4 | Very low | 48 | Very low | 47 Ų | 47 | 118.2 Ų | 118.2 | 49% | 0.485 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -7.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 276 | L | 47.8 | Very low | 47.8 | Very low | 149 Ų | 149 | 116.9 Ų | 116.9 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -1.5 | -177.8 | -79.5 | 164.5 | 0 | 0 | 0 | 114.3 | ||
| 277 | T | 45.8 | Very low | 47.7 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -98.7 | 3 | 178.6 | 33.7 | 0 | 0 | 0 | 0 | 115.6 | E274 | E274-T277 PolarHBondContact O-OG1 3.17Š|
| 278 | S | 44.8 | Very low | 47.5 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -112.9 | 10.1 | -175.3 | 66.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 279 | V | 49.3 | Very low | 47.1 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -116.1 | 66.9 | 175.6 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 280 | S | 47.6 | Very low | 47 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -162.6 | 138 | 154.1 | -166.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 281 | Q | 41.6 | Very low | 46.9 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 89.9 | 120.1 | -177 | -54.3 | -176.8 | 27.9 | 0 | 0 | 113.9 | ||||
| 282 | R | 41 | Very low | 46.6 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -155.3 | 128.9 | 10.4 | -88.7 | 154.7 | -150.8 | -172.9 | 5.5 | 108.2 | ||||
| 283 | T | 43.9 | Very low | 46.4 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 118.1 | 149.8 | 32 | 0 | 0 | 0 | 0 | 107.3 | ||
| 284 | Q | 42.3 | Very low | 46.3 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93 | 138.7 | 169.9 | -75 | -168.2 | -11.8 | 0 | 0 | 109.9 | ||
| 285 | P | 47.8 | Very low | 46.1 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 142.6 | 173.3 | 32.6 | -30.2 | 0 | 0 | 0 | 111.2 | ||
| 286 | T | 48.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 164.4 Ų | 164.4 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.2 | 173 | 33.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 287 | P | 50.3 | Low | 46 | Very low | 125 Ų | 125 | 165.3 Ų | 165.3 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 130.9 | 175.1 | 31.8 | -28.9 | 0 | 0 | 0 | 112 | ||
| 288 | C | 43.3 | Very low | 46.1 | Very low | 128 Ų | 128 | 167.6 Ų | 167.6 | 87% | 0.865 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.2 | 168.1 | -78.1 | 0 | 0 | 0 | 0 | 111.8 | R290 | C288-R290 PolarHBondContact O-N 3.43Š|
| 289 | R | 46 | Very low | 46.1 | Very low | 255 Ų | 255 | 172.2 Ų | 172.2 | 96% | 0.962 | 85% | 0.854 | S | S | * | * | trans | -78.6 | 110.1 | 165.1 | -110.3 | -178.6 | 177 | -171.7 | -0.7 | 109.5 | ||||
| 290 | R | 47.9 | Very low | 45.9 | Very low | 224 Ų | 224 | 174.7 Ų | 174.7 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | trans | -84.4 | 126.2 | 161.9 | -98.3 | -178.7 | 179.8 | 177.8 | 0.2 | 109.5 | C288 | C288-R290 PolarHBondContact O-N 3.43Š| ||
| 291 | R | 48.7 | Very low | 45.8 | Very low | 236 Ų | 236 | 180 Ų | 180 | 89% | 0.891 | 86% | 0.864 | S | S | * | * | trans | -64.2 | 139.6 | 157.7 | -74 | 178.3 | -179.1 | -176 | -1.1 | 109.1 | ||||
| 292 | Y | 45.8 | Very low | 46.2 | Very low | 202 Ų | 202 | 181.9 Ų | 181.9 | 79% | 0.792 | 88% | 0.875 | S | S | * | * | trans | -152.3 | 129.1 | 142.7 | -91.6 | -74.7 | 0 | 0 | 0 | 109.9 | ||||
| 293 | L | 48 | Very low | 46.6 | Very low | 242 Ų | 242 | 180.5 Ų | 180.5 | 100% | 1.267 | 89% | 0.886 | S | S | * | * | trans | 65.8 | 0 | 164.7 | -62.3 | 164.6 | 0 | 0 | 0 | 117.9 |
Retrieved 293 of 293 residues in 108.2 ms
(Link to these results)