| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 61.5 | Low | 232 Ų | 232 | 118.7 Ų | 118.7 | 100% | 1.143 | 61% | 0.608 | S | S | * | * | 0 | 88.1 | 0 | -68.7 | 158.9 | -174.2 | 0 | 0 | 105.4 | |||||
| 2 | E | 49.6 | Very low | 62.4 | Low | 182 Ų | 182 | 112.8 Ų | 112.8 | 85% | 0.85 | 60% | 0.598 | S | S | * | * | 65.2 | 115.4 | 90.5 | -70.4 | -156.7 | 112.2 | 0 | 0 | 112.2 | |||||
| 3 | M | 41.1 | Very low | 63.4 | Low | 194 Ų | 194 | 116.2 Ų | 116.2 | 96% | 0.956 | 60% | 0.598 | S | S | * | * | trans | -158.5 | 83.4 | 136 | -74 | -146.7 | 172.2 | 0 | 0 | 108 | S5 | M3-S5 PolarHBondContact O-N 2.85Š| ||
| 4 | S | 56.4 | Low | 64.3 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 78% | 0.776 | 59% | 0.594 | S | S | * | * | trans | -66.7 | 97.7 | 167.3 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | S6 | S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.99Å; S4-S6 PolarHBondContact O-OG 3.42Å | ||
| 5 | S | 57.8 | Low | 65 | Low | 78 Ų | 78 | 111.5 Ų | 111.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -62.7 | 95.9 | 174.3 | -164.1 | 0 | 0 | 0 | 0 | 107.7 | M3 E7 | M3-S5 PolarHBondContact O-N 2.85Å; S5-E7 PolarHBondContact O-N 2.83Å | ||
| 6 | S | 67.5 | Low | 65.8 | Low | 59 Ų | 59 | 106.9 Ų | 106.9 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | trans | -76.4 | 73.2 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 108.3 | S4 G15 | S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.99Å; S4-S6 PolarHBondContact O-OG 3.42Å; S6-G15 PolarHBondContact O-N 3.01Å | ||
| 7 | E | 71.4 | Confident | 66.4 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | B | Isolated β-bridge | trans | -76.1 | 131.7 | 171.7 | -66.6 | 177.2 | 130.8 | 0 | 0 | 108.9 | S5 F9 P14 | S5-E7 PolarHBondContact O-N 2.83Å; E7-F9 PolarHBondContact O-N 3.48Å; E7-P14 HydrophobicContact CG-CB 4.17Å |
| 8 | C | 72 | Confident | 66.7 | Low | 0 Ų | 0 | 105.7 Ų | 105.7 | 0% | 0 | 56% | 0.561 | C | S | . | * | trans | -66.7 | 107.5 | 177.3 | -180 | 0 | 0 | 0 | 0 | 109.5 | R10 C11 G12 R13 H16 | C8-R10 PolarHBondContact O-N 3.39Å; C8-C11 PolarHBondContact O-N 3.3Å; C8-C11 VanDerWaalsContact O-N 3.09Å; C8-C11 VanDerWaalsContact SG-SG 3.67Å; C8-G12 WeakPolarHBondContact O-CA 3.43Å; C8-G12 PolarHBondContact O-N 2.93Å; C8-R13 WeakPolarHBondContact CB-O 3.43Å; C8-R13 PolarHBondContact N-O 2.8Å; C8-H16 WeakPolarHBondContact CA-O 3.34Å; C8-H16 VanDerWaalsContact CB-CD2 3.43Å; C8-H16 WeakPolarHBondContact CB-CD2 3.18Å; C8-H16 WeakPolarHBondContact CB-NE2 3.39Å; C8-H16 WeakPolarHBondContact CB-O 3.4Å; C8-H16 PolarHBondContact N-O 2.74Å; C8-H16 PolarHBondContact SG-CD2 3.09Å; C8-H16 PolarHBondContact SG-NE2 3.13Å | ||
| 9 | F | 72.1 | Confident | 66.7 | Low | 157 Ų | 157 | 109.2 Ų | 109.2 | 69% | 0.689 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -3.1 | 176.6 | -61.8 | -84.5 | 0 | 0 | 0 | 115.5 | E7 W17 I18 | E7-F9 PolarHBondContact O-N 3.48Å; F9-W17 HydrophobicContact CD2-CH2 4.22Å; F9-W17 HydrophobicContact CD2-CZ3 4.27Å; F9-W17 HydrophobicContact CE2-CE3 4.38Å; F9-W17 AromaticContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CZ2 4.41Å; F9-W17 AromaticContact CE2-CZ3 3.62Å; F9-W17 HydrophobicContact CE2-CZ3 3.62Å; F9-I18 HydrophobicContact CB-CD1 3.44Å; F9-I18 VanDerWaalsContact CB-CD1 3.44Å; F9-I18 HydrophobicContact CB-CG1 3.81Å; F9-I18 HydrophobicContact CD2-CD1 4.47Å; F9-I18 HydrophobicContact CG-CD1 4.38Å |
| 10 | R | 69.3 | Low | 66.6 | Low | 152 Ų | 152 | 110 Ų | 110 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -41.1 | 173.2 | -179.5 | 179.3 | -66.8 | -159.5 | -0.1 | 113.2 | C8 I18 | C8-R10 PolarHBondContact O-N 3.39Å; R10-I18 HydrophobicContact CB-CG1 3.96Å |
| 11 | C | 79.3 | Confident | 66.9 | Low | 39 Ų | 39 | 105 Ų | 105 | 26% | 0.264 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123 | 0.5 | -175 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | C8 R13 H16 | C8-C11 PolarHBondContact O-N 3.3Å; C8-C11 VanDerWaalsContact O-N 3.09Å; C8-C11 VanDerWaalsContact SG-SG 3.67Å; C11-R13 PolarHBondContact O-N 3.27Å; C11-R13 VanDerWaalsContact O-N 3.13Å; C11-H16 VanDerWaalsContact SG-CE1 3.54Å; C11-H16 PolarHBondContact SG-NE2 3.25Å |
| 12 | G | 72.8 | Confident | 68.4 | Low | 48 Ų | 48 | 99.4 Ų | 99.4 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | trans | 71 | -1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C8 | C8-G12 WeakPolarHBondContact O-CA 3.43Å; C8-G12 PolarHBondContact O-N 2.93Å | ||
| 13 | R | 74.6 | Confident | 69.1 | Low | 157 Ų | 157 | 96.6 Ų | 96.6 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | trans | -84.3 | 134.7 | -178.4 | -65.5 | -174.8 | -177.6 | -163.6 | 3.2 | 111.6 | C8 C11 | C8-R13 WeakPolarHBondContact CB-O 3.43Å; C8-R13 PolarHBondContact N-O 2.8Å; C11-R13 PolarHBondContact O-N 3.27Å; C11-R13 VanDerWaalsContact O-N 3.13Å | ||
| 14 | P | 75.9 | Confident | 69.9 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 160 | 174.3 | 29.6 | -34.1 | 0 | 0 | 0 | 111.7 | E7 | E7-P14 HydrophobicContact CG-CB 4.17Å |
| 15 | G | 74.6 | Confident | 69.6 | Low | 78 Ų | 78 | 87.7 Ų | 87.7 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | 3.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S6 | S6-G15 PolarHBondContact O-N 3.01Š|
| 16 | H | 78.9 | Confident | 69.1 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 17% | 0.171 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -155 | 154.4 | 169.8 | 63.6 | -83.9 | 0 | 0 | 0 | 112.2 | C8 C11 C21 | C8-H16 WeakPolarHBondContact CA-O 3.34Å; C8-H16 VanDerWaalsContact CB-CD2 3.43Å; C8-H16 WeakPolarHBondContact CB-CD2 3.18Å; C8-H16 WeakPolarHBondContact CB-NE2 3.39Å; C8-H16 WeakPolarHBondContact CB-O 3.4Å; C8-H16 PolarHBondContact N-O 2.74Å; C8-H16 PolarHBondContact SG-CD2 3.09Å; C8-H16 PolarHBondContact SG-NE2 3.13Å; C11-H16 VanDerWaalsContact SG-CE1 3.54Å; C11-H16 PolarHBondContact SG-NE2 3.25Å; H16-C21 VanDerWaalsContact CD2-CA 3.43Å; H16-C21 WeakPolarHBondContact CD2-CA 3.37Å |
| 17 | W | 74.9 | Confident | 68 | Low | 133 Ų | 133 | 96.7 Ų | 96.7 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | trans | -89.7 | 159.3 | 174.7 | -174.4 | -99.8 | 0 | 0 | 0 | 111.4 | F9 K19 N20 | F9-W17 HydrophobicContact CD2-CH2 4.22Å; F9-W17 HydrophobicContact CD2-CZ3 4.27Å; F9-W17 HydrophobicContact CE2-CE3 4.38Å; F9-W17 AromaticContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CH2 3.63Å; F9-W17 HydrophobicContact CE2-CZ2 4.41Å; F9-W17 AromaticContact CE2-CZ3 3.62Å; F9-W17 HydrophobicContact CE2-CZ3 3.62Å; W17-K19 PolarHBondContact O-N 2.86Å; W17-N20 PolarHBondContact O-N 2.85Å | ||
| 18 | I | 71.9 | Confident | 66.6 | Low | 59 Ų | 59 | 95.5 Ų | 95.5 | 30% | 0.303 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -39.4 | -36.4 | 177 | -99.4 | -178.4 | 0 | 0 | 0 | 114.6 | F9 R10 N20 | F9-I18 HydrophobicContact CB-CD1 3.44Å; F9-I18 VanDerWaalsContact CB-CD1 3.44Å; F9-I18 HydrophobicContact CB-CG1 3.81Å; F9-I18 HydrophobicContact CD2-CD1 4.47Å; F9-I18 HydrophobicContact CG-CD1 4.38Å; R10-I18 HydrophobicContact CB-CG1 3.96Å; I18-N20 VanDerWaalsContact C-N 3.35Å |
| 19 | K | 67.8 | Low | 65.4 | Low | 173 Ų | 173 | 107.1 Ų | 107.1 | 75% | 0.752 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -74.3 | -24.1 | -175.1 | -70.8 | -176.9 | 176.1 | 179.6 | 0 | 113.4 | W17 | W17-K19 PolarHBondContact O-N 2.86Š|
| 20 | N | 63.6 | Low | 63.9 | Low | 124 Ų | 124 | 103 Ų | 103 | 66% | 0.663 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -116.4 | 23.1 | -174.8 | -60.9 | -42.7 | 0 | 0 | 0 | 111.8 | W17 I18 P22 | W17-N20 PolarHBondContact O-N 2.85Å; I18-N20 VanDerWaalsContact C-N 3.35Å; N20-P22 WeakPolarHBondContact O-CD 3.36Å |
| 21 | C | 74.2 | Confident | 62.6 | Low | 7 Ų | 7 | 107.3 Ų | 107.3 | 5% | 0.047 | 60% | 0.602 | C | S | . | * | trans | -66.3 | 117.7 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | H16 E23 A24 | H16-C21 VanDerWaalsContact CD2-CA 3.43Å; H16-C21 WeakPolarHBondContact CD2-CA 3.37Å; C21-E23 PolarHBondContact O-N 3.5Å; C21-A24 HydrophobicContact CB-CB 4.26Å; C21-A24 WeakPolarHBondContact O-CB 3.14Å; C21-A24 PolarHBondContact O-N 3.23Å | ||
| 22 | P | 70.3 | Confident | 60.9 | Low | 114 Ų | 114 | 109.1 Ų | 109.1 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.3 | -178.6 | 26.6 | -33.4 | 0 | 0 | 0 | 112.2 | N20 A24 | N20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.8Å |
| 23 | E | 64.7 | Low | 59.7 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 57% | 0.57 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 6.1 | 173.8 | -60.1 | -174.2 | 106.7 | 0 | 0 | 113 | C21 G25 | C21-E23 PolarHBondContact O-N 3.5Å; E23-G25 PolarHBondContact O-N 2.94Å |
| 24 | A | 57.8 | Low | 58.2 | Low | 43 Ų | 43 | 111.4 Ų | 111.4 | 36% | 0.355 | 63% | 0.634 | S | S | . | * | trans | -72.3 | 69 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C21 P22 G26 | C21-A24 HydrophobicContact CB-CB 4.26Å; C21-A24 WeakPolarHBondContact O-CB 3.14Å; C21-A24 PolarHBondContact O-N 3.23Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.8Å; A24-G26 PolarHBondContact O-N 2.78Å | ||
| 25 | G | 50.7 | Low | 57.2 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | trans | -59.7 | 123.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | E23 | E23-G25 PolarHBondContact O-N 2.94Š| ||
| 26 | G | 47.6 | Very low | 55.7 | Low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 63% | 0.632 | S | S | * | * | trans | 107.7 | 94.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | A24 G28 | A24-G26 PolarHBondContact O-N 2.78Å; G26-G28 PolarHBondContact O-N 3.24Å | ||
| 27 | R | 44.7 | Very low | 54.3 | Low | 254 Ų | 254 | 123.8 Ų | 123.8 | 96% | 0.958 | 67% | 0.665 | S | S | * | * | trans | -67.7 | 84.7 | 156.6 | -66.5 | -175.9 | -172.4 | -162.4 | 3.2 | 108.6 | R29 | R27-R29 PolarHBondContact O-N 3.5Š| ||
| 28 | G | 40.2 | Very low | 53 | Low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | -66 | 98.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G26 G30 | G26-G28 PolarHBondContact O-N 3.24Å; G28-G30 PolarHBondContact O-N 3.33Å | ||
| 29 | R | 47.2 | Very low | 52.5 | Low | 244 Ų | 244 | 122.8 Ų | 122.8 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | trans | -66.5 | 122.2 | 170.7 | -69.6 | -174.2 | 179.6 | -154.6 | 2.4 | 108.9 | R27 | R27-R29 PolarHBondContact O-N 3.5Š| ||
| 30 | G | 41.1 | Very low | 52.3 | Low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | 64.9 | 104.5 | 152 | 0 | 0 | 0 | 0 | 0 | 117.4 | G28 G32 | G28-G30 PolarHBondContact O-N 3.33Å; G30-G32 VanDerWaalsContact C-N 3.27Å; G30-G32 PolarHBondContact O-N 2.92Å | ||
| 31 | R | 42.2 | Very low | 52.7 | Low | 242 Ų | 242 | 114.1 Ų | 114.1 | 91% | 0.913 | 63% | 0.627 | S | S | * | * | trans | -70.1 | 85.8 | 158 | -71.5 | -179.6 | 174.1 | -175.4 | -2.9 | 109.2 | R33 | R31-R33 PolarHBondContact O-N 3.01Š| ||
| 32 | G | 42.4 | Very low | 52.5 | Low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 65% | 0.651 | S | S | * | * | trans | -70.1 | 101.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G30 G34 | G30-G32 VanDerWaalsContact C-N 3.27Å; G30-G32 PolarHBondContact O-N 2.92Å; G32-G34 PolarHBondContact O-N 3.26Å | ||
| 33 | R | 47.5 | Very low | 52.6 | Low | 211 Ų | 211 | 118.7 Ų | 118.7 | 80% | 0.796 | 63% | 0.629 | S | S | * | * | trans | -92.3 | 88.6 | 168.2 | -77 | -176.7 | 172.6 | -178.3 | -2.3 | 108.6 | R31 | R31-R33 PolarHBondContact O-N 3.01Š| ||
| 34 | G | 44.4 | Very low | 53 | Low | 42 Ų | 42 | 113.3 Ų | 113.3 | 43% | 0.433 | 61% | 0.605 | S | S | . | * | trans | -117.2 | 103.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G32 | G32-G34 PolarHBondContact O-N 3.26Š| ||
| 35 | R | 54.8 | Low | 53.5 | Low | 209 Ų | 209 | 112.4 Ų | 112.4 | 79% | 0.789 | 60% | 0.6 | S | S | * | * | trans | -85.2 | 121.7 | 170.7 | -88.1 | -176.8 | 173.5 | -174.5 | -7.4 | 108.4 | ||||
| 36 | G | 43.8 | Very low | 54.6 | Low | 50 Ų | 50 | 114.1 Ų | 114.1 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | S | Bend | trans | 81.9 | 121.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D38 | G36-D38 PolarHBondContact O-N 2.84Š|
| 37 | K | 48.2 | Very low | 55.6 | Low | 200 Ų | 200 | 117.4 Ų | 117.4 | 87% | 0.87 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 58.8 | -22.7 | 147.7 | -57 | -173.5 | 180 | -172 | 0 | 120.2 | ||
| 38 | D | 47.4 | Very low | 56.9 | Low | 136 Ų | 136 | 108.6 Ų | 108.6 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -112.9 | 22.2 | 174.9 | -55.2 | -74.8 | 0 | 0 | 0 | 111.7 | G36 F40 | G36-D38 PolarHBondContact O-N 2.84Å; D38-F40 PolarHBondContact O-N 3.39Å | ||
| 39 | L | 61.6 | Low | 58.8 | Low | 35 Ų | 35 | 107 Ų | 107 | 18% | 0.183 | 54% | 0.544 | C | S | . | . | trans | -83.8 | 111 | -178.9 | -157 | 81.6 | 0 | 0 | 0 | 109.9 | G48 I50 | L39-G48 PolarHBondContact O-N 3.44Å; L39-I50 HydrophobicContact CD2-CB 3.86Å; L39-I50 HydrophobicContact CD2-CG2 3.17Å | ||
| 40 | F | 64.4 | Low | 60 | Low | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 127.5 | 163.4 | -61.5 | -85.6 | 0 | 0 | 0 | 108.9 | D38 Y42 Q47 | D38-F40 PolarHBondContact O-N 3.39Å; F40-Y42 PolarHBondContact O-N 3.47Å; F40-Q47 HydrophobicContact CD1-CB 3.95Å; F40-Q47 HydrophobicContact CE1-CB 3.9Å |
| 41 | C | 72.4 | Confident | 61.3 | Low | 1 Ų | 1 | 96.4 Ų | 96.4 | 1% | 0.007 | 49% | 0.492 | C | S | . | . | trans | -62.9 | 117.3 | 173.4 | 176 | 0 | 0 | 0 | 0 | 109 | R43 C44 G45 E46 H49 A51 C54 | C41-R43 PolarHBondContact O-N 3.4Å; C41-R43 VanDerWaalsContact O-N 3.15Å; C41-R43 PolarHBondContact SG-N 2.96Å; C41-R43 VanDerWaalsContact SG-N 3.42Å; C41-C44 VanDerWaalsContact CB-SG 3.55Å; C41-C44 PolarHBondContact O-N 2.85Å; C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.35Å; C41-E46 VanDerWaalsContact CB-O 3.28Å; C41-E46 WeakPolarHBondContact CB-O 3.47Å; C41-E46 PolarHBondContact N-O 3.47Å; C41-H49 VanDerWaalsContact CB-NE2 3.31Å; C41-H49 WeakPolarHBondContact CB-NE2 3.27Å; C41-H49 WeakPolarHBondContact CB-O 3.45Å; C41-H49 PolarHBondContact SG-NE2 3.48Å; C41-A51 VanDerWaalsContact SG-CA 3.57Å; C41-C54 VanDerWaalsContact SG-CB 3.59Å | ||
| 42 | Y | 69.4 | Low | 62.8 | Low | 144 Ų | 144 | 94.2 Ų | 94.2 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.7 | 178.7 | -64.7 | -75 | 0 | 0 | 0 | 113.5 | F40 Y62 | F40-Y42 PolarHBondContact O-N 3.47Å; Y42-Y62 WeakPolarHBondContact CB-OH 2.99Å; Y42-Y62 AromaticContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CG-CE1 4.34Å; Y42-Y62 WeakPolarHBondContact O-CE1 3.35Å; Y42-Y62 PolarHBondContact O-OH 2.93Å |
| 43 | R | 71.5 | Confident | 64.3 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 28% | 0.275 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -47.6 | 175.8 | -172.8 | 176.7 | -66 | 157.7 | 2.1 | 112.1 | C41 A51 C54 Q56 A60 | C41-R43 PolarHBondContact O-N 3.4Å; C41-R43 VanDerWaalsContact O-N 3.15Å; C41-R43 PolarHBondContact SG-N 2.96Å; C41-R43 VanDerWaalsContact SG-N 3.42Å; R43-A51 HydrophobicContact CB-CB 4.1Å; R43-A51 PolarHBondContact NH1-O 3.24Å; R43-A51 VanDerWaalsContact NH1-O 3.13Å; R43-A51 PolarHBondContact NH2-O 3.16Å; R43-C54 HydrophobicContact CB-CB 4.45Å; R43-Q56 WeakPolarHBondContact CD-O 3.44Å; R43-A60 WeakPolarHBondContact O-CA 3.49Å; R43-A60 VanDerWaalsContact O-CB 3.23Å; R43-A60 WeakPolarHBondContact O-CB 3.4Å; R43-A60 PolarHBondContact O-N 3.32Å |
| 44 | C | 72.8 | Confident | 65.7 | Low | 9 Ų | 9 | 85.9 Ų | 85.9 | 6% | 0.061 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -11.7 | -176.6 | 66.7 | 0 | 0 | 0 | 0 | 115.3 | C41 E46 H49 Q56 | C41-C44 VanDerWaalsContact CB-SG 3.55Å; C41-C44 PolarHBondContact O-N 2.85Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 PolarHBondContact O-N 3.11Å; C44-E46 PolarHBondContact SG-N 3.46Å; C44-E46 VanDerWaalsContact SG-N 3.42Å; C44-H49 PolarHBondContact SG-CE1 3.46Å; C44-H49 PolarHBondContact SG-NE2 2.96Å; C44-Q56 HydrophobicContact CB-CB 4.26Å; C44-Q56 HydrophobicContact CB-CG 4.2Å |
| 45 | G | 69 | Low | 67.4 | Low | 24 Ų | 24 | 93.3 Ų | 93.3 | 25% | 0.247 | 46% | 0.461 | C | S | . | . | trans | 80.5 | -3.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | C41 | C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.35Å | ||
| 46 | E | 73.1 | Confident | 68.1 | Low | 112 Ų | 112 | 87.1 Ų | 87.1 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | trans | -80.6 | 147.8 | 179.3 | -63 | -170.5 | 94 | 0 | 0 | 112.6 | C41 C44 Q56 | C41-E46 VanDerWaalsContact CB-O 3.28Å; C41-E46 WeakPolarHBondContact CB-O 3.47Å; C41-E46 PolarHBondContact N-O 3.47Å; C44-E46 VanDerWaalsContact C-N 3.27Å; C44-E46 PolarHBondContact O-N 3.11Å; C44-E46 PolarHBondContact SG-N 3.46Å; C44-E46 VanDerWaalsContact SG-N 3.42Å; E46-Q56 PolarHBondContact OE2-NE2 3.35Å | ||
| 47 | Q | 69.6 | Low | 69.4 | Low | 141 Ų | 141 | 90.2 Ų | 90.2 | 66% | 0.659 | 45% | 0.45 | S | S | * | . | B | Isolated β-bridge | trans | -82.4 | 155.5 | 176.8 | 65.9 | -175.2 | 23.5 | 0 | 0 | 112 | F40 | F40-Q47 HydrophobicContact CD1-CB 3.95Å; F40-Q47 HydrophobicContact CE1-CB 3.9Å |
| 48 | G | 72.7 | Confident | 70.4 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 100.2 | -6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L39 | L39-G48 PolarHBondContact O-N 3.44Š|
| 49 | H | 78.3 | Confident | 71.5 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 21% | 0.208 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -144.3 | 162.4 | 173.2 | 66.9 | -88.5 | 0 | 0 | 0 | 112 | C41 C44 C54 | C41-H49 VanDerWaalsContact CB-NE2 3.31Å; C41-H49 WeakPolarHBondContact CB-NE2 3.27Å; C41-H49 WeakPolarHBondContact CB-O 3.45Å; C41-H49 PolarHBondContact SG-NE2 3.48Å; C44-H49 PolarHBondContact SG-CE1 3.46Å; C44-H49 PolarHBondContact SG-NE2 2.96Å; H49-C54 WeakPolarHBondContact NE2-CB 3.43Å; H49-C54 PolarHBondContact NE2-SG 2.82Å |
| 50 | I | 72.6 | Confident | 72.3 | Confident | 62 Ų | 62 | 82 Ų | 82 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | trans | -96.6 | 158.7 | 176.6 | 70.1 | 172.7 | 0 | 0 | 0 | 109.7 | L39 R52 D53 C54 | L39-I50 HydrophobicContact CD2-CB 3.86Å; L39-I50 HydrophobicContact CD2-CG2 3.17Å; I50-R52 HydrophobicContact CD1-CB 3.99Å; I50-R52 HydrophobicContact CG1-CB 4.08Å; I50-R52 PolarHBondContact O-N 3.05Å; I50-D53 WeakPolarHBondContact CD1-OD2 3.25Å; I50-D53 HydrophobicContact CG1-CB 4.25Å; I50-D53 WeakPolarHBondContact CG1-OD2 3.47Å; I50-D53 CarbonylContact O-C 3.58Å; I50-D53 PolarHBondContact O-N 2.91Å; I50-C54 PolarHBondContact O-N 3.3Å | ||
| 51 | A | 70 | Confident | 73 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C41 R43 | C41-A51 VanDerWaalsContact SG-CA 3.57Å; R43-A51 HydrophobicContact CB-CB 4.1Å; R43-A51 PolarHBondContact NH1-O 3.24Å; R43-A51 VanDerWaalsContact NH1-O 3.13Å; R43-A51 PolarHBondContact NH2-O 3.16Å |
| 52 | R | 73.3 | Confident | 73.1 | Confident | 197 Ų | 197 | 81.4 Ų | 81.4 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -32.6 | 175.3 | -169.7 | -178.5 | 66.8 | -180 | 1 | 113.2 | I50 C54 | I50-R52 HydrophobicContact CD1-CB 3.99Å; I50-R52 HydrophobicContact CG1-CB 4.08Å; I50-R52 PolarHBondContact O-N 3.05Å; R52-C54 VanDerWaalsContact C-N 3.31Å |
| 53 | D | 73.7 | Confident | 73.4 | Confident | 98 Ų | 98 | 74.8 Ų | 74.8 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -100 | 17.8 | -178.3 | -53 | -39.5 | 0 | 0 | 0 | 110.6 | I50 | I50-D53 WeakPolarHBondContact CD1-OD2 3.25Å; I50-D53 HydrophobicContact CG1-CB 4.25Å; I50-D53 WeakPolarHBondContact CG1-OD2 3.47Å; I50-D53 CarbonylContact O-C 3.58Å; I50-D53 PolarHBondContact O-N 2.91Å |
| 54 | C | 76.9 | Confident | 73.7 | Confident | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.095 | 38% | 0.375 | C | S | . | . | trans | -86.4 | 123.5 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | C41 R43 H49 I50 R52 Q56 | C41-C54 VanDerWaalsContact SG-CB 3.59Å; R43-C54 HydrophobicContact CB-CB 4.45Å; H49-C54 WeakPolarHBondContact NE2-CB 3.43Å; H49-C54 PolarHBondContact NE2-SG 2.82Å; I50-C54 PolarHBondContact O-N 3.3Å; R52-C54 VanDerWaalsContact C-N 3.31Å; C54-Q56 PolarHBondContact O-N 2.96Å | ||
| 55 | E | 79.3 | Confident | 73.8 | Confident | 197 Ų | 197 | 76.8 Ų | 76.8 | 92% | 0.921 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -70.6 | -18.6 | 177.6 | -61.4 | 179.3 | 90.7 | 0 | 0 | 112.6 | ||
| 56 | Q | 70.4 | Confident | 74.1 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | trans | -77.9 | 128.8 | 174.1 | -61.1 | -178 | 50.8 | 0 | 0 | 109.9 | R43 C44 E46 C54 | R43-Q56 WeakPolarHBondContact CD-O 3.44Å; C44-Q56 HydrophobicContact CB-CB 4.26Å; C44-Q56 HydrophobicContact CB-CG 4.2Å; E46-Q56 PolarHBondContact OE2-NE2 3.35Å; C54-Q56 PolarHBondContact O-N 2.96Å | ||
| 57 | T | 69.8 | Low | 74.3 | Confident | 116 Ų | 116 | 80 Ų | 80 | 71% | 0.712 | 41% | 0.407 | S | S | * | . | trans | -85 | -25.3 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 58 | E | 69.8 | Low | 74.8 | Confident | 106 Ų | 106 | 76.5 Ų | 76.5 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -91.8 | 134.5 | -175.6 | -62.6 | -59.2 | 104.4 | 0 | 0 | 111.5 | A60 | E58-A60 PolarHBondContact O-N 3.09Š|
| 59 | D | 70.8 | Confident | 75.3 | Confident | 87 Ų | 87 | 75.4 Ų | 75.4 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 120.6 | 170.5 | -67.7 | -60.5 | 0 | 0 | 0 | 109.7 | ||
| 60 | A | 78.2 | Confident | 75.3 | Confident | 6 Ų | 6 | 77 Ų | 77 | 5% | 0.05 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 139.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | R43 E58 Y62 | R43-A60 WeakPolarHBondContact O-CA 3.49Å; R43-A60 VanDerWaalsContact O-CB 3.23Å; R43-A60 WeakPolarHBondContact O-CB 3.4Å; R43-A60 PolarHBondContact O-N 3.32Å; E58-A60 PolarHBondContact O-N 3.09Å; A60-Y62 PolarHBondContact O-N 3.18Å |
| 61 | C | 79.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 119.6 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | N63 C64 H65 R66 H69 C74 | C61-N63 PolarHBondContact O-N 3.21Å; C61-N63 PolarHBondContact SG-N 3.44Å; C61-N63 VanDerWaalsContact SG-N 3.35Å; C61-C64 PolarHBondContact O-N 3.5Å; C61-C64 VanDerWaalsContact SG-SG 3.69Å; C61-H65 WeakPolarHBondContact O-CA 3.01Å; C61-H65 PolarHBondContact O-N 3.09Å; C61-R66 VanDerWaalsContact CB-O 3.3Å; C61-R66 WeakPolarHBondContact CB-O 3.34Å; C61-R66 PolarHBondContact N-O 3.49Å; C61-H69 WeakPolarHBondContact CA-O 3.36Å; C61-H69 VanDerWaalsContact CB-NE2 3.32Å; C61-H69 WeakPolarHBondContact CB-NE2 3.31Å; C61-H69 WeakPolarHBondContact CB-O 3.48Å; C61-H69 PolarHBondContact N-O 3.5Å; C61-H69 PolarHBondContact SG-NE2 2.8Å; C61-H69 VanDerWaalsContact SG-NE2 3.36Å; C61-C74 VanDerWaalsContact SG-CB 3.54Å |
| 62 | Y | 73.5 | Confident | 75.9 | Confident | 101 Ų | 101 | 84.6 Ų | 84.6 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.9 | 176.3 | -52.6 | -95.8 | 0 | 0 | 0 | 115 | Y42 A60 S71 R81 | Y42-Y62 WeakPolarHBondContact CB-OH 2.99Å; Y42-Y62 AromaticContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CD1-CE1 3.82Å; Y42-Y62 HydrophobicContact CG-CE1 4.34Å; Y42-Y62 WeakPolarHBondContact O-CE1 3.35Å; Y42-Y62 PolarHBondContact O-OH 2.93Å; A60-Y62 PolarHBondContact O-N 3.18Å; Y62-S71 WeakPolarHBondContact CA-OG 3.29Å; Y62-S71 WeakPolarHBondContact CB-OG 3.47Å; Y62-S71 WeakPolarHBondContact CD2-OG 3.5Å; Y62-S71 PolarHBondContact N-OG 2.95Å; Y62-R81 PolarHBondContact O-NH1 2.78Å |
| 63 | N | 75.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 3% | 0.032 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -53.3 | 176.2 | -172 | 43.2 | 0 | 0 | 0 | 112.6 | C61 S71 C74 E76 P77 K78 K79 | C61-N63 PolarHBondContact O-N 3.21Å; C61-N63 PolarHBondContact SG-N 3.44Å; C61-N63 VanDerWaalsContact SG-N 3.35Å; N63-S71 PolarHBondContact N-OG 3.26Å; N63-C74 HydrophobicContact CB-CB 4.32Å; N63-E76 PolarHBondContact ND2-O 3.31Å; N63-P77 PolarHBondContact ND2-O 3.34Å; N63-K78 WeakPolarHBondContact OD1-CA 3.1Å; N63-K79 PolarHBondContact OD1-N 3.34Å |
| 64 | C | 78.6 | Confident | 76.6 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 10% | 0.101 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -1.5 | -173.7 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | C61 R66 H69 C74 E76 | C61-C64 PolarHBondContact O-N 3.5Å; C61-C64 VanDerWaalsContact SG-SG 3.69Å; C64-R66 PolarHBondContact O-N 3.4Å; C64-R66 VanDerWaalsContact O-N 3.12Å; C64-H69 PolarHBondContact SG-CE1 3.37Å; C64-H69 PolarHBondContact SG-NE2 3Å; C64-C74 VanDerWaalsContact SG-SG 3.6Å; C64-E76 HydrophobicContact CB-CB 4.36Å; C64-E76 HydrophobicContact CB-CG 3.92Å |
| 65 | H | 74.4 | Confident | 77 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | trans | 57.4 | 17.2 | -177.7 | -56.2 | 85.4 | 0 | 0 | 0 | 114.5 | C61 | C61-H65 WeakPolarHBondContact O-CA 3.01Å; C61-H65 PolarHBondContact O-N 3.09Å | ||
| 66 | R | 76.2 | Confident | 76.9 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | trans | -90.9 | 141.5 | 171.9 | -61.5 | -163.5 | -71.1 | -95.7 | 7.5 | 110.4 | C61 C64 E76 | C61-R66 VanDerWaalsContact CB-O 3.3Å; C61-R66 WeakPolarHBondContact CB-O 3.34Å; C61-R66 PolarHBondContact N-O 3.49Å; C64-R66 PolarHBondContact O-N 3.4Å; C64-R66 VanDerWaalsContact O-N 3.12Å; R66-E76 IonicContact CZ-OE2 3.3Å; R66-E76 VanDerWaalsContact CZ-OE2 3.3Å; R66-E76 IonicContact NH1-OE2 2.81Å; R66-E76 PolarHBondContact NH1-OE2 2.8Å; R66-E76 IonicContact NH2-OE1 3.67Å; R66-E76 IonicContact NH2-OE2 2.9Å; R66-E76 PolarHBondContact NH2-OE2 3.23Å | ||
| 67 | S | 76.8 | Confident | 77.2 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -74.1 | 170.3 | 174.4 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 68 | G | 79.5 | Confident | 77.1 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 69% | 0.691 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 86.7 | -0.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 69 | H | 83.4 | Confident | 76.8 | Confident | 46 Ų | 46 | 85.5 Ų | 85.5 | 21% | 0.213 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -157.8 | 156.8 | 171.8 | 66.6 | -72.6 | 0 | 0 | 0 | 111.7 | C61 C64 D73 C74 | C61-H69 WeakPolarHBondContact CA-O 3.36Å; C61-H69 VanDerWaalsContact CB-NE2 3.32Å; C61-H69 WeakPolarHBondContact CB-NE2 3.31Å; C61-H69 WeakPolarHBondContact CB-O 3.48Å; C61-H69 PolarHBondContact N-O 3.5Å; C61-H69 PolarHBondContact SG-NE2 2.8Å; C61-H69 VanDerWaalsContact SG-NE2 3.36Å; C64-H69 PolarHBondContact SG-CE1 3.37Å; C64-H69 PolarHBondContact SG-NE2 3Å; H69-D73 HydrophobicContact CB-CB 4.28Å; H69-C74 VanDerWaalsContact CD2-CA 3.42Å; H69-C74 WeakPolarHBondContact CD2-CA 3.33Å; H69-C74 PolarHBondContact NE2-SG 3.07Å |
| 70 | I | 79.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 90.6 Ų | 90.6 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | trans | -93.5 | 166.3 | 173 | 60.8 | 168.8 | 0 | 0 | 0 | 110.9 | R72 D73 C74 | I70-R72 HydrophobicContact CD1-CB 4.06Å; I70-R72 HydrophobicContact CG1-CB 4.18Å; I70-R72 PolarHBondContact O-N 2.83Å; I70-D73 WeakPolarHBondContact CD1-OD2 3.25Å; I70-D73 WeakPolarHBondContact CG1-OD2 3.48Å; I70-D73 PolarHBondContact O-N 3.47Å; I70-C74 PolarHBondContact O-N 3.35Å | ||
| 71 | S | 76.6 | Confident | 75.1 | Confident | 41 Ų | 41 | 97.1 Ų | 97.1 | 29% | 0.287 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.7 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 115.8 | Y62 N63 | Y62-S71 WeakPolarHBondContact CA-OG 3.29Å; Y62-S71 WeakPolarHBondContact CB-OG 3.47Å; Y62-S71 WeakPolarHBondContact CD2-OG 3.5Å; Y62-S71 PolarHBondContact N-OG 2.95Å; N63-S71 PolarHBondContact N-OG 3.26Å |
| 72 | R | 78.1 | Confident | 74 | Confident | 210 Ų | 210 | 104.4 Ų | 104.4 | 79% | 0.792 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.3 | 175.1 | -167.5 | 176.8 | 67.4 | 162.9 | 3.9 | 112.5 | I70 | I70-R72 HydrophobicContact CD1-CB 4.06Å; I70-R72 HydrophobicContact CG1-CB 4.18Å; I70-R72 PolarHBondContact O-N 2.83Å |
| 73 | D | 79.2 | Confident | 73.3 | Confident | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -101.9 | 11.3 | -175.6 | -56.3 | -73.7 | 0 | 0 | 0 | 111.3 | H69 I70 K75 | H69-D73 HydrophobicContact CB-CB 4.28Å; I70-D73 WeakPolarHBondContact CD1-OD2 3.25Å; I70-D73 WeakPolarHBondContact CG1-OD2 3.48Å; I70-D73 PolarHBondContact O-N 3.47Å; D73-K75 PolarHBondContact O-N 3.36Å |
| 74 | C | 82.4 | Confident | 72.8 | Confident | 23 Ų | 23 | 108.6 Ų | 108.6 | 16% | 0.155 | 53% | 0.533 | C | S | . | . | trans | -77.5 | 119 | 179.3 | -165.4 | 0 | 0 | 0 | 0 | 110.8 | C61 N63 C64 H69 I70 E76 | C61-C74 VanDerWaalsContact SG-CB 3.54Å; N63-C74 HydrophobicContact CB-CB 4.32Å; C64-C74 VanDerWaalsContact SG-SG 3.6Å; H69-C74 VanDerWaalsContact CD2-CA 3.42Å; H69-C74 WeakPolarHBondContact CD2-CA 3.33Å; H69-C74 PolarHBondContact NE2-SG 3.07Å; I70-C74 PolarHBondContact O-N 3.35Å; C74-E76 VanDerWaalsContact C-N 3.31Å | ||
| 75 | K | 85.1 | Confident | 72.2 | Confident | 209 Ų | 209 | 108 Ų | 108 | 91% | 0.909 | 53% | 0.529 | S | S | * | . | trans | -79.8 | -12.6 | 176.4 | -62.6 | -176.6 | 180 | -179.2 | 0 | 113.6 | D73 | D73-K75 PolarHBondContact O-N 3.36Š| ||
| 76 | E | 77.8 | Confident | 71.8 | Confident | 79 Ų | 79 | 111.7 Ų | 111.7 | 37% | 0.369 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -72.4 | 146.5 | 176 | -60.5 | -93.4 | 76.9 | 0 | 0 | 109.7 | N63 C64 R66 C74 K78 | N63-E76 PolarHBondContact ND2-O 3.31Å; C64-E76 HydrophobicContact CB-CB 4.36Å; C64-E76 HydrophobicContact CB-CG 3.92Å; R66-E76 IonicContact CZ-OE2 3.3Å; R66-E76 VanDerWaalsContact CZ-OE2 3.3Å; R66-E76 IonicContact NH1-OE2 2.81Å; R66-E76 PolarHBondContact NH1-OE2 2.8Å; R66-E76 IonicContact NH2-OE1 3.67Å; R66-E76 IonicContact NH2-OE2 2.9Å; R66-E76 PolarHBondContact NH2-OE2 3.23Å; C74-E76 VanDerWaalsContact C-N 3.31Å; E76-K78 PolarHBondContact O-N 3.47Å |
| 77 | P | 75.2 | Confident | 71.1 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 69% | 0.688 | 52% | 0.524 | S | S | * | . | trans | -54 | 142.2 | 170.4 | 24.6 | -33.1 | 0 | 0 | 0 | 109.3 | N63 K79 | N63-P77 PolarHBondContact ND2-O 3.34Å; P77-K79 PolarHBondContact O-N 3.21Å | ||
| 78 | K | 68.3 | Low | 70.5 | Confident | 180 Ų | 180 | 103.7 Ų | 103.7 | 78% | 0.783 | 50% | 0.503 | S | S | * | . | trans | -58.7 | 112.8 | 174.5 | -71.8 | 178.7 | -177.6 | 172.1 | 0 | 106.8 | N63 E76 E80 | N63-K78 WeakPolarHBondContact OD1-CA 3.1Å; E76-K78 PolarHBondContact O-N 3.47Å; K78-E80 PolarHBondContact O-N 2.82Å; K78-E80 VanDerWaalsContact O-N 3.16Å | ||
| 79 | K | 64 | Low | 69.7 | Low | 141 Ų | 141 | 102.6 Ų | 102.6 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | trans | -57.9 | 126.2 | 168.9 | -73.7 | -171.8 | 175.7 | -174.8 | 0 | 105.4 | N63 P77 R81 | N63-K79 PolarHBondContact OD1-N 3.34Å; P77-K79 PolarHBondContact O-N 3.21Å; K79-R81 VanDerWaalsContact O-CG 3.27Å; K79-R81 WeakPolarHBondContact O-CG 3.29Å; K79-R81 PolarHBondContact O-N 2.77Å | ||
| 80 | E | 56.3 | Low | 68.9 | Low | 194 Ų | 194 | 104.6 Ų | 104.6 | 91% | 0.907 | 50% | 0.5 | S | S | * | . | trans | -65.6 | 77.2 | 171.3 | -70 | -165.7 | 91.4 | 0 | 0 | 107.8 | K78 E82 | K78-E80 PolarHBondContact O-N 2.82Å; K78-E80 VanDerWaalsContact O-N 3.16Å; E80-E82 PolarHBondContact O-N 2.85Å; E80-E82 VanDerWaalsContact O-N 3.14Å | ||
| 81 | R | 56.9 | Low | 68.4 | Low | 142 Ų | 142 | 103 Ų | 103 | 54% | 0.536 | 50% | 0.498 | S | S | . | . | trans | -66.9 | 110.2 | 158 | -6.7 | -173.1 | -111 | -102.9 | 13.4 | 102.7 | Y62 K79 Q83 | Y62-R81 PolarHBondContact O-NH1 2.78Å; K79-R81 VanDerWaalsContact O-CG 3.27Å; K79-R81 WeakPolarHBondContact O-CG 3.29Å; K79-R81 PolarHBondContact O-N 2.77Å; R81-Q83 PolarHBondContact O-N 3.28Å | ||
| 82 | E | 56.3 | Low | 68.2 | Low | 154 Ų | 154 | 104.6 Ų | 104.6 | 72% | 0.72 | 52% | 0.521 | S | S | * | . | trans | -36 | 106.8 | 176 | -70.9 | 173.2 | 81.7 | 0 | 0 | 108.3 | E80 C84 A91 | E80-E82 PolarHBondContact O-N 2.85Å; E80-E82 VanDerWaalsContact O-N 3.14Å; E82-C84 PolarHBondContact O-N 3.17Å; E82-C84 PolarHBondContact O-SG 2.93Å; E82-A91 HydrophobicContact CB-CB 3.83Å; E82-A91 HydrophobicContact CG-CB 4.43Å | ||
| 83 | Q | 60 | Low | 68.1 | Low | 134 Ų | 134 | 96.3 Ų | 96.3 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | trans | -67.9 | 93.7 | -178.9 | -77.9 | -173.2 | -14.6 | 0 | 0 | 106.6 | R81 A91 G92 | R81-Q83 PolarHBondContact O-N 3.28Å; Q83-A91 WeakPolarHBondContact O-CA 3.07Å; Q83-G92 PolarHBondContact O-N 2.95Å; Q83-G92 VanDerWaalsContact O-N 3.16Å | ||
| 84 | C | 65 | Low | 67.7 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 126.4 | 174.1 | -64.4 | 0 | 0 | 0 | 0 | 108.5 | E82 Y86 K90 | E82-C84 PolarHBondContact O-N 3.17Å; E82-C84 PolarHBondContact O-SG 2.93Å; C84-Y86 PolarHBondContact O-N 3.5Å; C84-K90 CarbonylContact C-O 3.57Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å |
| 85 | C | 66.5 | Low | 66.9 | Low | 2 Ų | 2 | 95.5 Ų | 95.5 | 1% | 0.014 | 49% | 0.493 | C | S | . | . | trans | -57.6 | 124.3 | 175.4 | 173 | 0 | 0 | 0 | 0 | 110.4 | S87 C88 G89 K90 H93 C98 | C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.1Å; C85-S87 PolarHBondContact SG-N 3.2Å; C85-S87 VanDerWaalsContact SG-N 3.4Å; C85-C88 VanDerWaalsContact CB-SG 3.55Å; C85-C88 PolarHBondContact O-N 2.95Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C85-G89 VanDerWaalsContact O-CA 3.22Å; C85-G89 WeakPolarHBondContact O-CA 3.36Å; C85-G89 PolarHBondContact O-N 2.94Å; C85-K90 WeakPolarHBondContact CB-O 3.23Å; C85-K90 PolarHBondContact N-O 3.5Å; C85-H93 WeakPolarHBondContact CA-O 3.13Å; C85-H93 WeakPolarHBondContact CB-NE2 3.4Å; C85-H93 WeakPolarHBondContact CB-O 3.37Å; C85-H93 PolarHBondContact N-O 3.28Å; C85-H93 PolarHBondContact SG-NE2 3.22Å; C85-H93 VanDerWaalsContact SG-NE2 3.37Å; C85-C98 VanDerWaalsContact SG-CB 3.59Å; C85-C98 PolarHBondContact SG-SG 3.37Å | ||
| 86 | Y | 65.6 | Low | 66.2 | Low | 187 Ų | 187 | 96.6 Ų | 96.6 | 73% | 0.733 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.3 | 179.5 | -64.3 | -81.9 | 0 | 0 | 0 | 114 | C84 Y107 | C84-Y86 PolarHBondContact O-N 3.5Å; Y86-Y107 PolarHBondContact O-OH 3.44Å |
| 87 | S | 61.7 | Low | 65.7 | Low | 24 Ų | 24 | 97.9 Ų | 97.9 | 17% | 0.168 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -47.4 | 179.4 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | C85 A95 K105 | C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.1Å; C85-S87 PolarHBondContact SG-N 3.2Å; C85-S87 VanDerWaalsContact SG-N 3.4Å; S87-A95 WeakPolarHBondContact OG-CB 3.39Å; S87-K105 PolarHBondContact O-N 2.87Å |
| 88 | C | 63.8 | Low | 65.6 | Low | 10 Ų | 10 | 93.7 Ų | 93.7 | 7% | 0.068 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -11.3 | -174.1 | 73.3 | 0 | 0 | 0 | 0 | 114.5 | C85 K90 H93 C98 H100 | C85-C88 VanDerWaalsContact CB-SG 3.55Å; C85-C88 PolarHBondContact O-N 2.95Å; C85-C88 VanDerWaalsContact SG-SG 3.65Å; C88-K90 VanDerWaalsContact C-N 3.28Å; C88-K90 PolarHBondContact O-N 3.36Å; C88-H93 VanDerWaalsContact SG-CE1 3.52Å; C88-H93 PolarHBondContact SG-NE2 2.77Å; C88-C98 VanDerWaalsContact SG-SG 3.64Å; C88-H100 HydrophobicContact CB-CB 4.04Å |
| 89 | G | 63.1 | Low | 65.7 | Low | 44 Ų | 44 | 92.6 Ų | 92.6 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | trans | 78.3 | -1.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C85 | C85-G89 VanDerWaalsContact O-CA 3.22Å; C85-G89 WeakPolarHBondContact O-CA 3.36Å; C85-G89 PolarHBondContact O-N 2.94Å | ||
| 90 | K | 65.3 | Low | 65.6 | Low | 89 Ų | 89 | 89.6 Ų | 89.6 | 39% | 0.387 | 46% | 0.464 | S | S | . | . | trans | -83.5 | 142.7 | 177.8 | -64.5 | 175.5 | 179.5 | 160.6 | 0 | 111.5 | C84 C85 C88 E103 | C84-K90 CarbonylContact C-O 3.57Å; C84-K90 WeakPolarHBondContact CA-O 3.45Å; C85-K90 WeakPolarHBondContact CB-O 3.23Å; C85-K90 PolarHBondContact N-O 3.5Å; C88-K90 VanDerWaalsContact C-N 3.28Å; C88-K90 PolarHBondContact O-N 3.36Å; K90-E103 VanDerWaalsContact NZ-CD 3.35Å; K90-E103 IonicContact NZ-OE1 3.16Å; K90-E103 PolarHBondContact NZ-OE1 3.21Å; K90-E103 VanDerWaalsContact NZ-OE1 3.16Å; K90-E103 IonicContact NZ-OE2 2.71Å; K90-E103 PolarHBondContact NZ-OE2 2.8Å | ||
| 91 | A | 68.6 | Low | 65.6 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 159.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E82 Q83 | E82-A91 HydrophobicContact CB-CB 3.83Å; E82-A91 HydrophobicContact CG-CB 4.43Å; Q83-A91 WeakPolarHBondContact O-CA 3.07Å |
| 92 | G | 72.9 | Confident | 65.6 | Low | 76 Ų | 76 | 83.1 Ų | 83.1 | 78% | 0.784 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 97.7 | -0.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q83 | Q83-G92 PolarHBondContact O-N 2.95Å; Q83-G92 VanDerWaalsContact O-N 3.16Å |
| 93 | H | 75.8 | Confident | 65.9 | Low | 36 Ų | 36 | 79.3 Ų | 79.3 | 17% | 0.167 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -155.7 | 158.9 | 173.2 | 64.1 | -77.7 | 0 | 0 | 0 | 111.7 | C85 C88 D97 C98 | C85-H93 WeakPolarHBondContact CA-O 3.13Å; C85-H93 WeakPolarHBondContact CB-NE2 3.4Å; C85-H93 WeakPolarHBondContact CB-O 3.37Å; C85-H93 PolarHBondContact N-O 3.28Å; C85-H93 PolarHBondContact SG-NE2 3.22Å; C85-H93 VanDerWaalsContact SG-NE2 3.37Å; C88-H93 VanDerWaalsContact SG-CE1 3.52Å; C88-H93 PolarHBondContact SG-NE2 2.77Å; H93-D97 HydrophobicContact CB-CB 4.49Å; H93-D97 PolarHBondContact CD2-O 3.48Å; H93-C98 VanDerWaalsContact CD2-CA 3.42Å; H93-C98 WeakPolarHBondContact CD2-CA 3.39Å; H93-C98 PolarHBondContact NE2-SG 3.4Å |
| 94 | V | 71.2 | Confident | 66 | Low | 54 Ų | 54 | 76.8 Ų | 76.8 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | trans | -94.1 | 164.9 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 111 | R96 D97 | V94-R96 HydrophobicContact CG2-CB 4.39Å; V94-R96 PolarHBondContact O-N 3.1Å; V94-D97 HydrophobicContact CG2-CB 4.5Å; V94-D97 WeakPolarHBondContact CG2-OD2 3.24Å; V94-D97 CarbonylContact O-C 3.6Å; V94-D97 PolarHBondContact O-N 3.16Å | ||
| 95 | A | 66.4 | Low | 66 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -55.5 | -22.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S87 | S87-A95 WeakPolarHBondContact OG-CB 3.39Š|
| 96 | R | 69.1 | Low | 66.1 | Low | 233 Ų | 233 | 78.1 Ų | 78.1 | 88% | 0.879 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -79.5 | -28.4 | 178.1 | -65.5 | -178.6 | 65.9 | 178.6 | -1.8 | 113.1 | V94 | V94-R96 HydrophobicContact CG2-CB 4.39Å; V94-R96 PolarHBondContact O-N 3.1Å |
| 97 | D | 68.8 | Low | 66.3 | Low | 106 Ų | 106 | 76.7 Ų | 76.7 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -107.8 | 31.9 | -176.7 | -55.3 | -78 | 0 | 0 | 0 | 110 | H93 V94 | H93-D97 HydrophobicContact CB-CB 4.49Å; H93-D97 PolarHBondContact CD2-O 3.48Å; V94-D97 HydrophobicContact CG2-CB 4.5Å; V94-D97 WeakPolarHBondContact CG2-OD2 3.24Å; V94-D97 CarbonylContact O-C 3.6Å; V94-D97 PolarHBondContact O-N 3.16Å |
| 98 | C | 71.6 | Confident | 66.4 | Low | 17 Ų | 17 | 78 Ų | 78 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | trans | -95.9 | 100.6 | -175.5 | -172.5 | 0 | 0 | 0 | 0 | 111 | C85 C88 H93 H100 A101 | C85-C98 VanDerWaalsContact SG-CB 3.59Å; C85-C98 PolarHBondContact SG-SG 3.37Å; C88-C98 VanDerWaalsContact SG-SG 3.64Å; H93-C98 VanDerWaalsContact CD2-CA 3.42Å; H93-C98 WeakPolarHBondContact CD2-CA 3.39Å; H93-C98 PolarHBondContact NE2-SG 3.4Å; C98-H100 PolarHBondContact O-N 3.45Å; C98-A101 PolarHBondContact O-N 3.35Å | ||
| 99 | D | 70.9 | Confident | 66.3 | Low | 157 Ų | 157 | 79.7 Ų | 79.7 | 84% | 0.84 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.9 | 171.8 | -60.7 | -77.1 | 0 | 0 | 0 | 113.2 | A101 | D99-A101 VanDerWaalsContact C-N 3.35Å; D99-A101 PolarHBondContact O-N 3.33Å |
| 100 | H | 62.1 | Low | 66.4 | Low | 78 Ų | 78 | 79.7 Ų | 79.7 | 36% | 0.361 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 33.1 | -179.8 | -60.9 | 90.9 | 0 | 0 | 0 | 112.7 | C88 C98 N102 E103 | C88-H100 HydrophobicContact CB-CB 4.04Å; C98-H100 PolarHBondContact O-N 3.45Å; H100-N102 PolarHBondContact O-N 3.26Å; H100-E103 HydrophobicContact CB-CB 4.37Å; H100-E103 HydrophobicContact CB-CG 4.39Å; H100-E103 WeakPolarHBondContact CB-OE2 3.08Å; H100-E103 IonicContact CD2-OE2 2.86Å; H100-E103 PolarHBondContact CD2-OE2 2.75Å; H100-E103 IonicContact CG-OE2 3.2Å; H100-E103 IonicContact NE2-OE2 3.89Å; H100-E103 PolarHBondContact O-N 2.8Å |
| 101 | A | 56.8 | Low | 66.2 | Low | 53 Ų | 53 | 76.4 Ų | 76.4 | 44% | 0.438 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -18.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C98 D99 Q104 | C98-A101 PolarHBondContact O-N 3.35Å; D99-A101 VanDerWaalsContact C-N 3.35Å; D99-A101 PolarHBondContact O-N 3.33Å; A101-Q104 WeakPolarHBondContact O-CG 3Å; A101-Q104 PolarHBondContact O-NE2 3.13Å |
| 102 | N | 56.8 | Low | 65.9 | Low | 148 Ų | 148 | 80.8 Ų | 80.8 | 79% | 0.791 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.1 | 176.9 | -143.5 | -10.1 | 0 | 0 | 0 | 113.7 | H100 Q104 | H100-N102 PolarHBondContact O-N 3.26Å; N102-Q104 PolarHBondContact O-N 2.98Å |
| 103 | E | 61.2 | Low | 65.7 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 34% | 0.341 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -90.5 | 29.1 | 171 | -61.7 | -178.8 | 115.4 | 0 | 0 | 111.1 | K90 H100 K105 F112 | K90-E103 VanDerWaalsContact NZ-CD 3.35Å; K90-E103 IonicContact NZ-OE1 3.16Å; K90-E103 PolarHBondContact NZ-OE1 3.21Å; K90-E103 VanDerWaalsContact NZ-OE1 3.16Å; K90-E103 IonicContact NZ-OE2 2.71Å; K90-E103 PolarHBondContact NZ-OE2 2.8Å; H100-E103 HydrophobicContact CB-CB 4.37Å; H100-E103 HydrophobicContact CB-CG 4.39Å; H100-E103 WeakPolarHBondContact CB-OE2 3.08Å; H100-E103 IonicContact CD2-OE2 2.86Å; H100-E103 PolarHBondContact CD2-OE2 2.75Å; H100-E103 IonicContact CG-OE2 3.2Å; H100-E103 IonicContact NE2-OE2 3.89Å; H100-E103 PolarHBondContact O-N 2.8Å; E103-K105 PolarHBondContact O-N 3.46Å; E103-K105 VanDerWaalsContact O-N 3.1Å; E103-F112 WeakPolarHBondContact O-CD1 3.48Å |
| 104 | Q | 63.1 | Low | 65.5 | Low | 81 Ų | 81 | 79.7 Ų | 79.7 | 38% | 0.379 | 43% | 0.43 | S | S | . | . | trans | -55.5 | 119.4 | 177.6 | -89.8 | 168.8 | 14.2 | 0 | 0 | 110.3 | A101 N102 G113 | A101-Q104 WeakPolarHBondContact O-CG 3Å; A101-Q104 PolarHBondContact O-NE2 3.13Å; N102-Q104 PolarHBondContact O-N 2.98Å; Q104-G113 PolarHBondContact O-N 3.34Å | ||
| 105 | K | 64.8 | Low | 65.3 | Low | 92 Ų | 92 | 80.4 Ų | 80.4 | 40% | 0.4 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -78.3 | 130.2 | 172.8 | 92.4 | 179.3 | -170.5 | -179.8 | 0 | 109.6 | S87 E103 Y107 G111 F112 | S87-K105 PolarHBondContact O-N 2.87Å; E103-K105 PolarHBondContact O-N 3.46Å; E103-K105 VanDerWaalsContact O-N 3.1Å; K105-Y107 PolarHBondContact O-N 2.92Å; K105-Y107 VanDerWaalsContact O-N 3.16Å; K105-G111 CarbonylContact C-O 3.55Å; K105-G111 WeakPolarHBondContact CA-O 3.48Å; K105-F112 HydrophobicContact CB-CD1 4.09Å; K105-F112 HydrophobicContact CB-CE1 3.94Å |
| 106 | C | 68.8 | Low | 65.2 | Low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 44% | 0.438 | C | S | . | . | trans | -68.6 | 112.6 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | S108 C109 G110 G111 H114 C119 | C106-S108 PolarHBondContact O-N 3.1Å; C106-C109 VanDerWaalsContact CB-SG 3.51Å; C106-C109 PolarHBondContact O-N 2.89Å; C106-G110 WeakPolarHBondContact O-CA 3.2Å; C106-G110 PolarHBondContact O-N 3.37Å; C106-G111 WeakPolarHBondContact CB-O 3.15Å; C106-G111 PolarHBondContact N-O 3.39Å; C106-H114 WeakPolarHBondContact CB-NE2 3.45Å; C106-H114 WeakPolarHBondContact CB-O 3.42Å; C106-H114 PolarHBondContact SG-NE2 3.24Å; C106-H114 VanDerWaalsContact SG-NE2 3.37Å; C106-C119 VanDerWaalsContact SG-CB 3.52Å; C106-C119 PolarHBondContact SG-SG 3.32Å | ||
| 107 | Y | 69.1 | Low | 65 | Low | 157 Ų | 157 | 81.2 Ų | 81.2 | 62% | 0.616 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10 | 178.5 | -61.4 | -76.2 | 0 | 0 | 0 | 114.8 | Y86 K105 | Y86-Y107 PolarHBondContact O-OH 3.44Å; K105-Y107 PolarHBondContact O-N 2.92Å; K105-Y107 VanDerWaalsContact O-N 3.16Å |
| 108 | S | 63.8 | Low | 64.8 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -39.3 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 114.1 | C106 Q116 | C106-S108 PolarHBondContact O-N 3.1Å; S108-Q116 VanDerWaalsContact OG-CG 3.29Å; S108-Q116 WeakPolarHBondContact OG-CG 3.22Å; S108-Q116 PolarHBondContact OG-NE2 3.23Å |
| 109 | C | 62.7 | Low | 64.7 | Low | 46 Ų | 46 | 81.9 Ų | 81.9 | 31% | 0.311 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -8 | -170.8 | 73.5 | 0 | 0 | 0 | 0 | 114 | C106 G111 H114 C119 K121 | C106-C109 VanDerWaalsContact CB-SG 3.51Å; C106-C109 PolarHBondContact O-N 2.89Å; C109-G111 PolarHBondContact O-N 3.33Å; C109-G111 PolarHBondContact SG-N 2.82Å; C109-G111 VanDerWaalsContact SG-N 3.36Å; C109-H114 PolarHBondContact SG-NE2 3.25Å; C109-C119 PolarHBondContact SG-SG 2.94Å; C109-K121 HydrophobicContact CB-CB 3.79Å |
| 110 | G | 64.4 | Low | 64.6 | Low | 45 Ų | 45 | 79.1 Ų | 79.1 | 46% | 0.464 | 42% | 0.423 | S | S | . | . | trans | 73.5 | -2.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | C106 | C106-G110 WeakPolarHBondContact O-CA 3.2Å; C106-G110 PolarHBondContact O-N 3.37Å | ||
| 111 | G | 60.5 | Low | 64.8 | Low | 20 Ų | 20 | 81.3 Ų | 81.3 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | trans | -73.5 | 154.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K105 C106 C109 | K105-G111 CarbonylContact C-O 3.55Å; K105-G111 WeakPolarHBondContact CA-O 3.48Å; C106-G111 WeakPolarHBondContact CB-O 3.15Å; C106-G111 PolarHBondContact N-O 3.39Å; C109-G111 PolarHBondContact O-N 3.33Å; C109-G111 PolarHBondContact SG-N 2.82Å; C109-G111 VanDerWaalsContact SG-N 3.36Å | ||
| 112 | F | 63.6 | Low | 65.5 | Low | 135 Ų | 135 | 79.9 Ų | 79.9 | 59% | 0.592 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -96.3 | 159.3 | 179.8 | -60.9 | -88 | 0 | 0 | 0 | 111.5 | E103 K105 | E103-F112 WeakPolarHBondContact O-CD1 3.48Å; K105-F112 HydrophobicContact CB-CD1 4.09Å; K105-F112 HydrophobicContact CB-CE1 3.94Å |
| 113 | G | 68.6 | Low | 66.2 | Low | 57 Ų | 57 | 78.7 Ų | 78.7 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 86.9 | 5.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q104 | Q104-G113 PolarHBondContact O-N 3.34Š|
| 114 | H | 70.4 | Confident | 66.6 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -152.9 | 154 | 173.5 | 66.9 | -86.8 | 0 | 0 | 0 | 112.4 | C106 C109 L118 C119 | C106-H114 WeakPolarHBondContact CB-NE2 3.45Å; C106-H114 WeakPolarHBondContact CB-O 3.42Å; C106-H114 PolarHBondContact SG-NE2 3.24Å; C106-H114 VanDerWaalsContact SG-NE2 3.37Å; C109-H114 PolarHBondContact SG-NE2 3.25Å; H114-L118 HydrophobicContact CB-CB 4.46Å; H114-C119 WeakPolarHBondContact CD2-CA 3.39Å; H114-C119 PolarHBondContact NE2-SG 2.77Å; H114-C119 VanDerWaalsContact NE2-SG 3.35Å |
| 115 | I | 67.2 | Low | 67 | Low | 70 Ų | 70 | 79 Ų | 79 | 36% | 0.359 | 40% | 0.401 | S | S | . | . | trans | -89.5 | 161.8 | 174.8 | 58.4 | 169.1 | 0 | 0 | 0 | 111.7 | K117 L118 C119 | I115-K117 HydrophobicContact CD1-CB 4.05Å; I115-K117 HydrophobicContact CD1-CD 4.44Å; I115-K117 HydrophobicContact CD1-CG 4.45Å; I115-K117 HydrophobicContact CG1-CB 4.26Å; I115-K117 PolarHBondContact O-N 3.36Å; I115-L118 HydrophobicContact CD1-CD1 4.43Å; I115-L118 HydrophobicContact CG1-CB 4.28Å; I115-L118 HydrophobicContact CG1-CD1 4.02Å; I115-L118 HydrophobicContact CG1-CG 4.05Å; I115-L118 CarbonylContact O-C 3.51Å; I115-L118 PolarHBondContact O-N 3.5Å; I115-C119 PolarHBondContact O-N 3.36Å | ||
| 116 | Q | 65.5 | Low | 67.2 | Low | 95 Ų | 95 | 79.9 Ų | 79.9 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -48.4 | -32.3 | 178.2 | 167.9 | 168.6 | 91 | 0 | 0 | 114.1 | S108 L118 | S108-Q116 VanDerWaalsContact OG-CG 3.29Å; S108-Q116 WeakPolarHBondContact OG-CG 3.22Å; S108-Q116 PolarHBondContact OG-NE2 3.23Å; Q116-L118 VanDerWaalsContact C-N 3.34Å |
| 117 | K | 64.4 | Low | 67.1 | Low | 193 Ų | 193 | 81.7 Ų | 81.7 | 84% | 0.839 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -72.5 | -24.7 | 178.5 | -65.2 | -175.1 | 178.5 | -178.8 | 0 | 114.1 | I115 | I115-K117 HydrophobicContact CD1-CB 4.05Å; I115-K117 HydrophobicContact CD1-CD 4.44Å; I115-K117 HydrophobicContact CD1-CG 4.45Å; I115-K117 HydrophobicContact CG1-CB 4.26Å; I115-K117 PolarHBondContact O-N 3.36Å |
| 118 | L | 65 | Low | 67.1 | Low | 128 Ų | 128 | 76 Ų | 76 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -111.9 | 18.4 | -176.8 | -61.7 | 173.4 | 0 | 0 | 0 | 111.3 | H114 I115 Q116 D120 | H114-L118 HydrophobicContact CB-CB 4.46Å; I115-L118 HydrophobicContact CD1-CD1 4.43Å; I115-L118 HydrophobicContact CG1-CB 4.28Å; I115-L118 HydrophobicContact CG1-CD1 4.02Å; I115-L118 HydrophobicContact CG1-CG 4.05Å; I115-L118 CarbonylContact O-C 3.51Å; I115-L118 PolarHBondContact O-N 3.5Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; L118-D120 PolarHBondContact O-N 3.32Å |
| 119 | C | 69.1 | Low | 67.5 | Low | 9 Ų | 9 | 78 Ų | 78 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | trans | -80.5 | 108.1 | -177.1 | -178 | 0 | 0 | 0 | 0 | 111.2 | C106 C109 H114 I115 K121 V122 | C106-C119 VanDerWaalsContact SG-CB 3.52Å; C106-C119 PolarHBondContact SG-SG 3.32Å; C109-C119 PolarHBondContact SG-SG 2.94Å; H114-C119 WeakPolarHBondContact CD2-CA 3.39Å; H114-C119 PolarHBondContact NE2-SG 2.77Å; H114-C119 VanDerWaalsContact NE2-SG 3.35Å; I115-C119 PolarHBondContact O-N 3.36Å; C119-K121 PolarHBondContact O-N 3.45Å; C119-V122 WeakPolarHBondContact O-CB 3.36Å; C119-V122 VanDerWaalsContact O-CG1 3.25Å; C119-V122 WeakPolarHBondContact O-CG1 3.39Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 PolarHBondContact SG-N 2.76Å | ||
| 120 | D | 68.9 | Low | 68 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.3 | 171.6 | 64.2 | -72.5 | 0 | 0 | 0 | 111.9 | L118 V122 G131 | L118-D120 PolarHBondContact O-N 3.32Å; D120-V122 PolarHBondContact O-N 3.47Å; D120-G131 WeakPolarHBondContact O-CA 3.22Å; D120-G131 PolarHBondContact O-N 3.01Å |
| 121 | K | 66.4 | Low | 68.5 | Low | 125 Ų | 125 | 81.9 Ų | 81.9 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 13 | 176.3 | -59.6 | -172.3 | -177.9 | -179.4 | 0 | 113.7 | C109 C119 K123 | C109-K121 HydrophobicContact CB-CB 3.79Å; C119-K121 PolarHBondContact O-N 3.45Å; K121-K123 PolarHBondContact O-N 3.2Å |
| 122 | V | 71.4 | Confident | 69.1 | Low | 23 Ų | 23 | 82.9 Ų | 82.9 | 14% | 0.139 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 120.2 | 176 | 68.5 | 0 | 0 | 0 | 0 | 109.4 | C119 D120 I130 G131 V133 | C119-V122 WeakPolarHBondContact O-CB 3.36Å; C119-V122 VanDerWaalsContact O-CG1 3.25Å; C119-V122 WeakPolarHBondContact O-CG1 3.39Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 PolarHBondContact SG-N 2.76Å; D120-V122 PolarHBondContact O-N 3.47Å; V122-I130 WeakPolarHBondContact O-CA 3.45Å; V122-G131 PolarHBondContact O-N 2.75Å; V122-V133 HydrophobicContact CG1-CG1 4.03Å |
| 123 | K | 70.8 | Confident | 69.2 | Low | 123 Ų | 123 | 79.5 Ų | 79.5 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 120.8 | 174.2 | -172.7 | 173.8 | -179.1 | 172.1 | 0 | 108.9 | K121 Y125 G128 I130 | K121-K123 PolarHBondContact O-N 3.2Å; K123-Y125 PolarHBondContact O-N 3.42Å; K123-G128 WeakPolarHBondContact CE-O 3.09Å; K123-G128 WeakPolarHBondContact CG-O 3.49Å; K123-I130 HydrophobicContact CB-CG2 4.29Å |
| 124 | C | 71.1 | Confident | 69.2 | Low | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 119.5 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | R126 C127 G128 E129 H132 C137 | C124-R126 PolarHBondContact O-N 2.74Å; C124-R126 PolarHBondContact SG-N 3.48Å; C124-R126 VanDerWaalsContact SG-N 3.44Å; C124-C127 VanDerWaalsContact CB-SG 3.58Å; C124-G128 VanDerWaalsContact O-CA 3.23Å; C124-G128 WeakPolarHBondContact O-CA 3.15Å; C124-G128 PolarHBondContact O-N 3.3Å; C124-E129 VanDerWaalsContact CB-O 3.31Å; C124-E129 WeakPolarHBondContact CB-O 3.38Å; C124-E129 PolarHBondContact N-O 3.44Å; C124-H132 VanDerWaalsContact CB-NE2 3.29Å; C124-H132 WeakPolarHBondContact CB-NE2 3.42Å; C124-H132 PolarHBondContact SG-NE2 3.15Å; C124-C137 VanDerWaalsContact SG-SG 3.64Å |
| 125 | Y | 71.3 | Confident | 69.1 | Low | 159 Ų | 159 | 82.4 Ų | 82.4 | 62% | 0.624 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10 | 179.5 | -62.9 | -82.4 | 0 | 0 | 0 | 113.7 | K123 | K123-Y125 PolarHBondContact O-N 3.42Š|
| 126 | R | 67.3 | Low | 69 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 42% | 0.415 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -49.1 | 176.8 | -70.1 | 178.6 | -179 | 176.2 | -8.7 | 112.3 | C124 A134 | C124-R126 PolarHBondContact O-N 2.74Å; C124-R126 PolarHBondContact SG-N 3.48Å; C124-R126 VanDerWaalsContact SG-N 3.44Å; R126-A134 WeakPolarHBondContact CD-O 3.36Å; R126-A134 HydrophobicContact CG-CB 3.9Å; R126-A134 PolarHBondContact NH1-O 3.39Å |
| 127 | C | 67.4 | Low | 69.3 | Low | 38 Ų | 38 | 81.5 Ų | 81.5 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -8.4 | -176.1 | 70.3 | 0 | 0 | 0 | 0 | 115.1 | C124 E129 H132 C137 K139 | C124-C127 VanDerWaalsContact CB-SG 3.58Å; C127-E129 PolarHBondContact O-N 2.73Å; C127-E129 PolarHBondContact SG-N 3.22Å; C127-H132 PolarHBondContact SG-CE1 3.26Å; C127-H132 PolarHBondContact SG-NE2 3.31Å; C127-H132 VanDerWaalsContact SG-NE2 3.4Å; C127-C137 PolarHBondContact SG-SG 3.16Å; C127-K139 HydrophobicContact CB-CB 4.22Å; C127-K139 HydrophobicContact CB-CD 3.9Å |
| 128 | G | 68.7 | Low | 69.6 | Low | 36 Ų | 36 | 78.4 Ų | 78.4 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | trans | 76 | -0.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | K123 C124 | K123-G128 WeakPolarHBondContact CE-O 3.09Å; K123-G128 WeakPolarHBondContact CG-O 3.49Å; C124-G128 VanDerWaalsContact O-CA 3.23Å; C124-G128 WeakPolarHBondContact O-CA 3.15Å; C124-G128 PolarHBondContact O-N 3.3Å | ||
| 129 | E | 72.6 | Confident | 69.5 | Low | 94 Ų | 94 | 78.1 Ų | 78.1 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | trans | -82.6 | 147.2 | 176.1 | -68 | 174.3 | 143.5 | 0 | 0 | 111.4 | C124 C127 K139 | C124-E129 VanDerWaalsContact CB-O 3.31Å; C124-E129 WeakPolarHBondContact CB-O 3.38Å; C124-E129 PolarHBondContact N-O 3.44Å; C127-E129 PolarHBondContact O-N 2.73Å; C127-E129 PolarHBondContact SG-N 3.22Å; E129-K139 IonicContact OE1-NZ 2.85Å; E129-K139 PolarHBondContact OE1-NZ 3.48Å; E129-K139 WeakPolarHBondContact OE2-CE 3.17Å; E129-K139 IonicContact OE2-NZ 2.78Å; E129-K139 PolarHBondContact OE2-NZ 3.43Å | ||
| 130 | I | 73.9 | Confident | 69 | Low | 120 Ų | 120 | 79.2 Ų | 79.2 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -84.1 | 159.2 | 174.9 | 60.6 | 171.9 | 0 | 0 | 0 | 110.1 | V122 K123 | V122-I130 WeakPolarHBondContact O-CA 3.45Å; K123-I130 HydrophobicContact CB-CG2 4.29Å |
| 131 | G | 73.6 | Confident | 68.5 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 105.4 | -7.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D120 V122 | D120-G131 WeakPolarHBondContact O-CA 3.22Å; D120-G131 PolarHBondContact O-N 3.01Å; V122-G131 PolarHBondContact O-N 2.75Å |
| 132 | H | 73.4 | Confident | 68.2 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 19% | 0.185 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -155.3 | 155.1 | -179.8 | 65.5 | -83 | 0 | 0 | 0 | 113.2 | C124 C127 C137 | C124-H132 VanDerWaalsContact CB-NE2 3.29Å; C124-H132 WeakPolarHBondContact CB-NE2 3.42Å; C124-H132 PolarHBondContact SG-NE2 3.15Å; C127-H132 PolarHBondContact SG-CE1 3.26Å; C127-H132 PolarHBondContact SG-NE2 3.31Å; C127-H132 VanDerWaalsContact SG-NE2 3.4Å; H132-C137 VanDerWaalsContact CD2-CA 3.48Å; H132-C137 WeakPolarHBondContact CD2-CA 3.47Å; H132-C137 WeakPolarHBondContact NE2-CB 3.23Å; H132-C137 PolarHBondContact NE2-SG 2.76Å |
| 133 | V | 67.3 | Low | 67.8 | Low | 65 Ų | 65 | 80.3 Ų | 80.3 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | trans | -83.9 | 153.7 | 172.1 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | V122 V135 Q136 | V122-V133 HydrophobicContact CG1-CG1 4.03Å; V133-V135 HydrophobicContact CG2-CB 4.35Å; V133-V135 PolarHBondContact O-N 3.3Å; V133-Q136 HydrophobicContact CG2-CB 4.41Å; V133-Q136 HydrophobicContact CG2-CG 4.11Å; V133-Q136 PolarHBondContact O-N 2.86Å | ||
| 134 | A | 66.7 | Low | 67.5 | Low | 22 Ų | 22 | 78.9 Ų | 78.9 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -53.3 | -24.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R126 Q136 C137 | R126-A134 WeakPolarHBondContact CD-O 3.36Å; R126-A134 HydrophobicContact CG-CB 3.9Å; R126-A134 PolarHBondContact NH1-O 3.39Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-C137 WeakPolarHBondContact O-CB 3.49Å |
| 135 | V | 68.4 | Low | 67.5 | Low | 128 Ų | 128 | 78.8 Ų | 78.8 | 78% | 0.776 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -71.2 | -29.9 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | V133 | V133-V135 HydrophobicContact CG2-CB 4.35Å; V133-V135 PolarHBondContact O-N 3.3Å |
| 136 | Q | 65.7 | Low | 67.4 | Low | 138 Ų | 138 | 80.4 Ų | 80.4 | 65% | 0.645 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -104.3 | 19.3 | -178 | -61.9 | 175.4 | -68.3 | 0 | 0 | 111.9 | V133 A134 S138 | V133-Q136 HydrophobicContact CG2-CB 4.41Å; V133-Q136 HydrophobicContact CG2-CG 4.11Å; V133-Q136 PolarHBondContact O-N 2.86Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-S138 PolarHBondContact O-N 2.71Å |
| 137 | C | 71.6 | Confident | 67.4 | Low | 7 Ų | 7 | 80 Ų | 80 | 5% | 0.047 | 45% | 0.448 | C | S | . | . | trans | -80.6 | 116.2 | -179.2 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | C124 C127 H132 A134 K139 A140 | C124-C137 VanDerWaalsContact SG-SG 3.64Å; C127-C137 PolarHBondContact SG-SG 3.16Å; H132-C137 VanDerWaalsContact CD2-CA 3.48Å; H132-C137 WeakPolarHBondContact CD2-CA 3.47Å; H132-C137 WeakPolarHBondContact NE2-CB 3.23Å; H132-C137 PolarHBondContact NE2-SG 2.76Å; A134-C137 WeakPolarHBondContact O-CB 3.49Å; C137-K139 PolarHBondContact O-N 3.16Å; C137-A140 HydrophobicContact CB-CB 4.47Å; C137-A140 WeakPolarHBondContact O-CB 3.48Å; C137-A140 PolarHBondContact O-N 3.3Å; C137-A140 VanDerWaalsContact O-N 3.11Å | ||
| 138 | S | 70.6 | Confident | 67.6 | Low | 129 Ų | 129 | 79.8 Ų | 79.8 | 90% | 0.902 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.3 | 177.7 | -46.9 | 0 | 0 | 0 | 0 | 113.5 | Q136 A140 | Q136-S138 PolarHBondContact O-N 2.71Å; S138-A140 PolarHBondContact O-N 2.89Å |
| 139 | K | 63.7 | Low | 67.5 | Low | 121 Ų | 121 | 80.9 Ų | 80.9 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 14.9 | 173.1 | -62.4 | 174.6 | 177.1 | 164.2 | 0 | 112.6 | C127 E129 C137 S141 | C127-K139 HydrophobicContact CB-CB 4.22Å; C127-K139 HydrophobicContact CB-CD 3.9Å; E129-K139 IonicContact OE1-NZ 2.85Å; E129-K139 PolarHBondContact OE1-NZ 3.48Å; E129-K139 WeakPolarHBondContact OE2-CE 3.17Å; E129-K139 IonicContact OE2-NZ 2.78Å; E129-K139 PolarHBondContact OE2-NZ 3.43Å; C137-K139 PolarHBondContact O-N 3.16Å; K139-S141 PolarHBondContact O-N 2.85Å |
| 140 | A | 58.9 | Low | 67.4 | Low | 32 Ų | 32 | 80.7 Ų | 80.7 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 10 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | C137 S138 E142 | C137-A140 HydrophobicContact CB-CB 4.47Å; C137-A140 WeakPolarHBondContact O-CB 3.48Å; C137-A140 PolarHBondContact O-N 3.3Å; C137-A140 VanDerWaalsContact O-N 3.11Å; S138-A140 PolarHBondContact O-N 2.89Å; A140-E142 PolarHBondContact O-N 3Å; A140-E142 VanDerWaalsContact O-N 3.16Å |
| 141 | S | 58.4 | Low | 67.2 | Low | 111 Ų | 111 | 78.7 Ų | 78.7 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15 | 179 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | K139 | K139-S141 PolarHBondContact O-N 2.85Š|
| 142 | E | 59.5 | Low | 67.2 | Low | 122 Ų | 122 | 79.4 Ų | 79.4 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | trans | -116.7 | 80.6 | 176.4 | -59.6 | -169.5 | 107.8 | 0 | 0 | 110.1 | A140 N144 | A140-E142 PolarHBondContact O-N 3Å; A140-E142 VanDerWaalsContact O-N 3.16Å; E142-N144 PolarHBondContact O-N 2.74Å; E142-N144 PolarHBondContact O-OD1 3.32Å | ||
| 143 | V | 63.2 | Low | 67.1 | Low | 38 Ų | 38 | 79.6 Ų | 79.6 | 23% | 0.23 | 46% | 0.462 | C | S | . | . | trans | -67.6 | 98.6 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 108 | T151 G152 H153 L154 | V143-T151 CarbonylContact O-C 3.42Å; V143-T151 WeakPolarHBondContact O-CA 3.28Å; V143-G152 PolarHBondContact O-N 3.12Å; V143-H153 WeakPolarHBondContact CG1-O 3.43Å; V143-L154 HydrophobicContact CG1-CD2 3.99Å; V143-L154 HydrophobicContact CG1-CG 4.04Å | ||
| 144 | N | 65.2 | Low | 67.1 | Low | 93 Ų | 93 | 80.7 Ų | 80.7 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 123.7 | 178.2 | -59.6 | -27.8 | 0 | 0 | 0 | 110.1 | E142 Y146 T151 | E142-N144 PolarHBondContact O-N 2.74Å; E142-N144 PolarHBondContact O-OD1 3.32Å; N144-Y146 PolarHBondContact O-N 2.74Å; N144-T151 WeakPolarHBondContact OD1-CG2 3.31Å |
| 145 | C | 69.7 | Low | 67.2 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -74.7 | 112.8 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | K147 C148 G149 N150 H153 A155 C158 | C145-K147 PolarHBondContact O-N 3.34Å; C145-K147 VanDerWaalsContact O-N 3.09Å; C145-K147 PolarHBondContact SG-N 3.35Å; C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-SG 2.89Å; C145-G149 WeakPolarHBondContact O-CA 3.49Å; C145-G149 PolarHBondContact O-N 3.39Å; C145-N150 WeakPolarHBondContact CB-O 2.95Å; C145-N150 PolarHBondContact N-O 3.35Å; C145-H153 WeakPolarHBondContact CB-NE2 3.41Å; C145-H153 PolarHBondContact SG-NE2 3.36Å; C145-A155 VanDerWaalsContact SG-CA 3.59Å; C145-C158 WeakPolarHBondContact SG-CB 3.32Å; C145-C158 PolarHBondContact SG-SG 3.41Å | ||
| 146 | Y | 70.1 | Confident | 67.3 | Low | 193 Ų | 193 | 83 Ų | 83 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.1 | 179.2 | 61.7 | -103.3 | 0 | 0 | 0 | 114.6 | N144 A155 | N144-Y146 PolarHBondContact O-N 2.74Å; Y146-A155 HydrophobicContact CD1-CB 3.51Å; Y146-A155 HydrophobicContact CD2-CB 3.93Å; Y146-A155 HydrophobicContact CE1-CB 3.07Å; Y146-A155 HydrophobicContact CE2-CB 3.51Å; Y146-A155 HydrophobicContact CG-CB 3.92Å; Y146-A155 WeakPolarHBondContact OH-CB 3.27Å |
| 147 | K | 66.7 | Low | 67.3 | Low | 101 Ų | 101 | 82.7 Ų | 82.7 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -36.6 | 175.4 | -72.3 | 178.8 | 176.9 | 178 | 0 | 112.9 | C145 A155 C158 | C145-K147 PolarHBondContact O-N 3.34Å; C145-K147 VanDerWaalsContact O-N 3.09Å; C145-K147 PolarHBondContact SG-N 3.35Å; K147-A155 HydrophobicContact CD-CB 4.15Å; K147-A155 WeakPolarHBondContact CD-O 3.33Å; K147-A155 VanDerWaalsContact CE-O 3.27Å; K147-A155 WeakPolarHBondContact CE-O 3.42Å; K147-A155 HydrophobicContact CG-CB 4.03Å; K147-A155 PolarHBondContact NZ-O 3.24Å; K147-C158 HydrophobicContact CD-CB 4.15Å |
| 148 | C | 71.4 | Confident | 67.4 | Low | 34 Ų | 34 | 83 Ų | 83 | 23% | 0.23 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -2.5 | -173.7 | 64.9 | 0 | 0 | 0 | 0 | 114.8 | C145 N150 H153 I160 | C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-SG 2.89Å; C148-N150 PolarHBondContact O-N 2.85Å; C148-N150 VanDerWaalsContact O-N 3.09Å; C148-H153 VanDerWaalsContact SG-CE1 3.54Å; C148-H153 PolarHBondContact SG-NE2 3.44Å; C148-I160 HydrophobicContact CB-CB 4.17Å; C148-I160 HydrophobicContact CB-CD1 3.47Å; C148-I160 VanDerWaalsContact CB-CD1 3.47Å; C148-I160 HydrophobicContact CB-CG1 4.09Å |
| 149 | G | 67.4 | Low | 67.7 | Low | 58 Ų | 58 | 83.4 Ų | 83.4 | 60% | 0.598 | 46% | 0.459 | S | S | * | . | trans | 74.4 | -11.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | C145 | C145-G149 WeakPolarHBondContact O-CA 3.49Å; C145-G149 PolarHBondContact O-N 3.39Å | ||
| 150 | N | 69.4 | Low | 67.9 | Low | 90 Ų | 90 | 81.7 Ų | 81.7 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | trans | -76.7 | 149.6 | -178.6 | -66.3 | -32.9 | 0 | 0 | 0 | 112.6 | C145 C148 | C145-N150 WeakPolarHBondContact CB-O 2.95Å; C145-N150 PolarHBondContact N-O 3.35Å; C148-N150 PolarHBondContact O-N 2.85Å; C148-N150 VanDerWaalsContact O-N 3.09Å | ||
| 151 | T | 70.3 | Confident | 68 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -89.2 | 160.7 | -179.9 | 74.4 | 0 | 0 | 0 | 0 | 110.9 | V143 N144 | V143-T151 CarbonylContact O-C 3.42Å; V143-T151 WeakPolarHBondContact O-CA 3.28Å; N144-T151 WeakPolarHBondContact OD1-CG2 3.31Å |
| 152 | G | 73.2 | Confident | 67.7 | Low | 67 Ų | 67 | 86.9 Ų | 86.9 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 97 | -0.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | V143 | V143-G152 PolarHBondContact O-N 3.12Š|
| 153 | H | 71.8 | Confident | 67.3 | Low | 45 Ų | 45 | 87.7 Ų | 87.7 | 21% | 0.208 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -149.6 | 152.8 | 176.3 | 65.7 | -79 | 0 | 0 | 0 | 113 | V143 C145 C148 C158 | V143-H153 WeakPolarHBondContact CG1-O 3.43Å; C145-H153 WeakPolarHBondContact CB-NE2 3.41Å; C145-H153 PolarHBondContact SG-NE2 3.36Å; C148-H153 VanDerWaalsContact SG-CE1 3.54Å; C148-H153 PolarHBondContact SG-NE2 3.44Å; H153-C158 WeakPolarHBondContact NE2-CB 3.3Å; H153-C158 PolarHBondContact NE2-SG 3.16Å; H153-C158 VanDerWaalsContact NE2-SG 3.39Å |
| 154 | L | 67.4 | Low | 66.3 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | trans | -76.5 | 148.2 | 171.7 | -72.1 | 156.2 | 0 | 0 | 0 | 109.6 | V143 K156 E157 C158 | V143-L154 HydrophobicContact CG1-CD2 3.99Å; V143-L154 HydrophobicContact CG1-CG 4.04Å; L154-K156 PolarHBondContact O-N 3.27Å; L154-E157 WeakPolarHBondContact O-CA 3.18Å; L154-E157 PolarHBondContact O-N 3.24Å; L154-C158 PolarHBondContact O-N 3.42Å | ||
| 155 | A | 69.3 | Low | 66.3 | Low | 3 Ų | 3 | 94.2 Ų | 94.2 | 3% | 0.025 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | C145 Y146 K147 E157 | C145-A155 VanDerWaalsContact SG-CA 3.59Å; Y146-A155 HydrophobicContact CD1-CB 3.51Å; Y146-A155 HydrophobicContact CD2-CB 3.93Å; Y146-A155 HydrophobicContact CE1-CB 3.07Å; Y146-A155 HydrophobicContact CE2-CB 3.51Å; Y146-A155 HydrophobicContact CG-CB 3.92Å; Y146-A155 WeakPolarHBondContact OH-CB 3.27Å; K147-A155 HydrophobicContact CD-CB 4.15Å; K147-A155 WeakPolarHBondContact CD-O 3.33Å; K147-A155 VanDerWaalsContact CE-O 3.27Å; K147-A155 WeakPolarHBondContact CE-O 3.42Å; K147-A155 HydrophobicContact CG-CB 4.03Å; K147-A155 PolarHBondContact NZ-O 3.24Å; A155-E157 VanDerWaalsContact C-N 3.35Å |
| 156 | K | 68.8 | Low | 66.2 | Low | 196 Ų | 196 | 99.2 Ų | 99.2 | 85% | 0.852 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -29.9 | 169 | -79.9 | -172.8 | 170.4 | -172.7 | 0 | 112.7 | L154 | L154-K156 PolarHBondContact O-N 3.27Š|
| 157 | E | 67 | Low | 65.9 | Low | 131 Ų | 131 | 93.9 Ų | 93.9 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -102.2 | 5.1 | -178.8 | -59.6 | 174.2 | 106.8 | 0 | 0 | 111.1 | L154 A155 T159 | L154-E157 WeakPolarHBondContact O-CA 3.18Å; L154-E157 PolarHBondContact O-N 3.24Å; A155-E157 VanDerWaalsContact C-N 3.35Å; E157-T159 PolarHBondContact O-N 3.14Å |
| 158 | C | 74 | Confident | 65.9 | Low | 14 Ų | 14 | 93.5 Ų | 93.5 | 10% | 0.095 | 57% | 0.573 | C | S | . | * | trans | -72.6 | 114.2 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | C145 K147 H153 L154 | C145-C158 WeakPolarHBondContact SG-CB 3.32Å; C145-C158 PolarHBondContact SG-SG 3.41Å; K147-C158 HydrophobicContact CD-CB 4.15Å; H153-C158 WeakPolarHBondContact NE2-CB 3.3Å; H153-C158 PolarHBondContact NE2-SG 3.16Å; H153-C158 VanDerWaalsContact NE2-SG 3.39Å; L154-C158 PolarHBondContact O-N 3.42Å | ||
| 159 | T | 76 | Confident | 65.6 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 84% | 0.84 | 59% | 0.594 | S | S | * | * | trans | -80.3 | -4.6 | 176.3 | 52 | 0 | 0 | 0 | 0 | 113 | E157 E161 | E157-T159 PolarHBondContact O-N 3.14Å; T159-E161 PolarHBondContact O-N 2.69Å | ||
| 160 | I | 69.1 | Low | 65.4 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 43% | 0.431 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -86.6 | 113.5 | 178.2 | -34.2 | -169.1 | 0 | 0 | 0 | 107.8 | C148 A162 | C148-I160 HydrophobicContact CB-CB 4.17Å; C148-I160 HydrophobicContact CB-CD1 3.47Å; C148-I160 VanDerWaalsContact CB-CD1 3.47Å; C148-I160 HydrophobicContact CB-CG1 4.09Å; I160-A162 PolarHBondContact O-N 2.9Å |
| 161 | E | 60.9 | Low | 65.1 | Low | 179 Ų | 179 | 100.6 Ų | 100.6 | 84% | 0.836 | 60% | 0.602 | S | S | * | * | trans | -63.9 | 128.4 | 170.6 | -62.5 | -159.2 | 101.7 | 0 | 0 | 108.4 | T159 T163 | T159-E161 PolarHBondContact O-N 2.69Å; E161-T163 PolarHBondContact O-N 2.95Å | ||
| 162 | A | 51.2 | Low | 64.7 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | trans | -61.5 | 108.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I160 A164 | I160-A162 PolarHBondContact O-N 2.9Å; A162-A164 PolarHBondContact O-N 2.81Å | ||
| 163 | T | 51.8 | Low | 64 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 85% | 0.853 | 61% | 0.605 | S | S | * | * | trans | -61.8 | 116.9 | 162.9 | 44 | 0 | 0 | 0 | 0 | 107.2 | E161 | E161-T163 PolarHBondContact O-N 2.95Š| ||
| 164 | A | 41.3 | Very low | 63.3 | Low | 173 Ų | 173 | 110.7 Ų | 110.7 | 100% | 1.43 | 64% | 0.641 | S | S | * | * | trans | -57.4 | 0 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | A162 | A162-A164 PolarHBondContact O-N 2.81Š|
Retrieved 164 of 164 residues in 35.7 ms
(Link to these results)