| 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 | 52 | Low | 60.5 | Low | 240 Ų | 240 | 115.2 Ų | 115.2 | 100% | 1.182 | 58% | 0.58 | S | S | * | * | 0 | 129.8 | 0 | -86.6 | 169.4 | 158.2 | 0 | 0 | 107.2 | |||||
| 2 | S | 59.7 | Low | 59.8 | Low | 46 Ų | 46 | 110.5 Ų | 110.5 | 32% | 0.322 | 58% | 0.583 | S | S | . | * | trans | -76.6 | 140.6 | -177.6 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | F4 D5 | S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 WeakPolarHBondContact OG-CD2 3.36Å; S2-F4 PolarHBondContact OG-N 2.96Å; S2-D5 PolarHBondContact O-N 2.83Å | ||
| 3 | V | 64.6 | Low | 59.2 | Low | 30 Ų | 30 | 108.8 Ų | 108.8 | 18% | 0.182 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -56.6 | -29.1 | 173.3 | -79.4 | 0 | 0 | 0 | 0 | 112 | D5 L6 F7 M86 | V3-D5 VanDerWaalsContact C-N 3.28Å; V3-D5 PolarHBondContact O-N 3.1Å; V3-L6 PolarHBondContact O-N 3.43Å; V3-F7 VanDerWaalsContact O-CD2 3.3Å; V3-F7 WeakPolarHBondContact O-CD2 3.09Å; V3-F7 PolarHBondContact O-N 3.38Å; V3-F7 VanDerWaalsContact O-N 3.15Å; V3-M86 HydrophobicContact CB-CE 4.29Å; V3-M86 HydrophobicContact CG1-CE 3.93Å; V3-M86 HydrophobicContact CG2-CE 4.27Å |
| 4 | F | 60.6 | Low | 58.5 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 40% | 0.395 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61 | -33.7 | 175 | -70.6 | -88.6 | 0 | 0 | 0 | 113.2 | S2 R8 L83 | S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 WeakPolarHBondContact OG-CD2 3.36Å; S2-F4 PolarHBondContact OG-N 2.96Å; F4-R8 WeakPolarHBondContact O-CG 3.24Å; F4-R8 PolarHBondContact O-N 3.07Å; F4-L83 HydrophobicContact CD1-CD1 4.12Å; F4-L83 HydrophobicContact CE1-CD1 3.31Å; F4-L83 HydrophobicContact CE2-CB 4.12Å; F4-L83 HydrophobicContact CE2-CD1 3.98Å; F4-L83 HydrophobicContact CZ-CB 3.85Å; F4-L83 HydrophobicContact CZ-CD1 3.24Å; F4-L83 HydrophobicContact CZ-CG 4.2Å |
| 5 | D | 62.3 | Low | 57.5 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 57% | 0.567 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.2 | -34.2 | 176.9 | -79.3 | -26.2 | 0 | 0 | 0 | 112.1 | S2 V3 R8 G9 | S2-D5 PolarHBondContact O-N 2.83Å; V3-D5 VanDerWaalsContact C-N 3.28Å; V3-D5 PolarHBondContact O-N 3.1Å; D5-R8 PolarHBondContact O-N 3.34Å; D5-G9 PolarHBondContact O-N 2.91Å; D5-G9 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 68.6 | Low | 57.1 | Low | 130 Ų | 130 | 101.5 Ų | 101.5 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 177.7 | -174.9 | 63.7 | 0 | 0 | 0 | 111.3 | V3 G9 F10 | V3-L6 PolarHBondContact O-N 3.43Å; L6-G9 PolarHBondContact O-N 3.23Å; L6-F10 PolarHBondContact O-N 3.09Å |
| 7 | F | 60.1 | Low | 56.5 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.9 | -35.8 | 177.6 | -81.7 | -76 | 0 | 0 | 0 | 112.9 | V3 G9 F10 F11 | V3-F7 VanDerWaalsContact O-CD2 3.3Å; V3-F7 WeakPolarHBondContact O-CD2 3.09Å; V3-F7 PolarHBondContact O-N 3.38Å; V3-F7 VanDerWaalsContact O-N 3.15Å; F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.92Å; F7-F10 PolarHBondContact O-N 2.82Å; F7-F11 HydrophobicContact CD1-CD2 4.4Å; F7-F11 HydrophobicContact CD1-CE2 4.01Å; F7-F11 WeakPolarHBondContact O-CD2 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å; F7-F11 VanDerWaalsContact O-N 3.13Å |
| 8 | R | 61.9 | Low | 55.5 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.8 | -36.9 | 173.6 | -80.8 | -178.2 | 176.6 | -173.7 | -0.5 | 112.8 | F4 D5 F10 G12 | F4-R8 WeakPolarHBondContact O-CG 3.24Å; F4-R8 PolarHBondContact O-N 3.07Å; D5-R8 PolarHBondContact O-N 3.34Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.43Å; R8-G12 PolarHBondContact O-N 2.92Å |
| 9 | G | 55.4 | Low | 55.2 | Low | 68 Ų | 68 | 119.5 Ų | 119.5 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.2 | -32.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D5 L6 F7 | D5-G9 PolarHBondContact O-N 2.91Å; D5-G9 VanDerWaalsContact O-N 3.1Å; L6-G9 PolarHBondContact O-N 3.23Å; F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.92Å |
| 10 | F | 60.8 | Low | 54.8 | Low | 164 Ų | 164 | 116.9 Ų | 116.9 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.3 | -39.9 | -179.1 | -171.9 | -94.7 | 0 | 0 | 0 | 113.3 | L6 F7 R8 | L6-F10 PolarHBondContact O-N 3.09Å; F7-F10 PolarHBondContact O-N 2.82Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.43Å |
| 11 | F | 59.7 | Low | 54.7 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 61% | 0.605 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -96.9 | 5.3 | -176.2 | -70 | -74.3 | 0 | 0 | 0 | 114.5 | F7 V13 | F7-F11 HydrophobicContact CD1-CD2 4.4Å; F7-F11 HydrophobicContact CD1-CE2 4.01Å; F7-F11 WeakPolarHBondContact O-CD2 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å; F7-F11 VanDerWaalsContact O-N 3.13Å; F11-V13 HydrophobicContact CB-CG2 4.29Å; F11-V13 PolarHBondContact O-N 3.29Å; F11-V13 VanDerWaalsContact O-N 3.09Å |
| 12 | G | 52.4 | Low | 54.6 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.6 | 19.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R8 P14 | R8-G12 PolarHBondContact O-N 2.92Å; G12-P14 WeakPolarHBondContact O-CD 3.27Å |
| 13 | V | 51.6 | Low | 54.1 | Low | 89 Ų | 89 | 125.2 Ų | 125.2 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -71 | 116.3 | -179.7 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | F11 G15 | F11-V13 HydrophobicContact CB-CG2 4.29Å; F11-V13 PolarHBondContact O-N 3.29Å; F11-V13 VanDerWaalsContact O-N 3.09Å; V13-G15 PolarHBondContact O-N 3.46Å | ||
| 14 | P | 48.9 | Very low | 53.8 | Low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -76.5 | 88.8 | -173.7 | 29.9 | -31 | 0 | 0 | 0 | 110.1 | G12 | G12-P14 WeakPolarHBondContact O-CD 3.27Š| ||
| 15 | G | 44.5 | Very low | 53.6 | Low | 40 Ų | 40 | 132.2 Ų | 132.2 | 41% | 0.412 | 68% | 0.682 | S | S | . | * | trans | -75.3 | 118.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V13 | V13-G15 PolarHBondContact O-N 3.46Š| ||
| 16 | G | 50.6 | Low | 53.1 | Low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -53.4 | 157.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 17 | H | 47 | Very low | 52.3 | Low | 180 Ų | 180 | 133.1 Ų | 133.1 | 83% | 0.833 | 68% | 0.682 | S | S | * | * | trans | 91.7 | 61.4 | 170.1 | -45.9 | 80.9 | 0 | 0 | 0 | 117.1 | ||||
| 18 | F | 38.6 | Very low | 51.8 | Low | 203 Ų | 203 | 131.7 Ų | 131.7 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | trans | -130.7 | 102.5 | 145.4 | -69.5 | -78.7 | 0 | 0 | 0 | 110.1 | G20 | F18-G20 PolarHBondContact O-N 2.9Š| ||
| 19 | R | 49.3 | Very low | 51.2 | Low | 264 Ų | 264 | 131.7 Ų | 131.7 | 100% | 0.996 | 70% | 0.699 | S | S | * | * | trans | -66.7 | 113.1 | 155.5 | -77.7 | -179.1 | 175.5 | 178.7 | -1.5 | 106.7 | ||||
| 20 | G | 47.5 | Very low | 51.2 | Low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 159.2 | 97.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F18 | F18-G20 PolarHBondContact O-N 2.9Š|
| 21 | R | 51.8 | Low | 50.6 | Low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 70% | 0.697 | S | S | * | * | trans | 40.1 | 94.1 | 158.4 | -83.9 | 177.4 | 165.3 | -111.8 | -0.7 | 116.3 | ||||
| 22 | R | 51.3 | Low | 50.1 | Low | 226 Ų | 226 | 133.5 Ų | 133.5 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -65.5 | 143.7 | 155.6 | -84.4 | 179.8 | 163.9 | 169.5 | -6.6 | 109.7 | ||||
| 23 | D | 48.7 | Very low | 49.9 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 55% | 0.551 | 71% | 0.709 | S | S | * | * | trans | -71.2 | 124.7 | -176.9 | -160 | -4.3 | 0 | 0 | 0 | 109.3 | F25 F26 | D23-F25 PolarHBondContact O-N 3.32Å; D23-F26 HydrophobicContact CB-CD2 4.28Å; D23-F26 PolarHBondContact O-N 2.91Å; D23-F26 VanDerWaalsContact O-N 3.14Å | ||
| 24 | P | 58.6 | Low | 50 | Low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -57.6 | -12.5 | -177.5 | 20 | -33.1 | 0 | 0 | 0 | 114.3 | F26 | P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 3.39Å |
| 25 | F | 56.8 | Low | 50.1 | Low | 160 Ų | 160 | 142.5 Ų | 142.5 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -65.2 | -29 | 176.1 | -152.7 | -91.3 | 0 | 0 | 0 | 113.8 | D23 | D23-F25 PolarHBondContact O-N 3.32Š|
| 26 | F | 50.7 | Low | 50.5 | Low | 133 Ų | 133 | 149.6 Ų | 149.6 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -98.4 | -4.3 | -176.3 | -66.3 | -81.9 | 0 | 0 | 0 | 114.1 | D23 P24 M29 | D23-F26 HydrophobicContact CB-CD2 4.28Å; D23-F26 PolarHBondContact O-N 2.91Å; D23-F26 VanDerWaalsContact O-N 3.14Å; P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 3.39Å; F26-M29 HydrophobicContact CD1-CE 3.94Å; F26-M29 HydrophobicContact CE1-CE 4.34Å |
| 27 | D | 51.3 | Low | 50.3 | Low | 122 Ų | 122 | 154.4 Ų | 154.4 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -75.6 | -25.7 | -176.4 | -143 | 35.4 | 0 | 0 | 0 | 112.2 | ||
| 28 | A | 50.5 | Low | 50.4 | Low | 83 Ų | 83 | 153.5 Ų | 153.5 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -82.9 | -11.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 29 | M | 49.8 | Very low | 50.6 | Low | 142 Ų | 142 | 152.8 Ų | 152.8 | 70% | 0.7 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -89.8 | -7.2 | 179.8 | -102 | -174.2 | -71 | 0 | 0 | 113.6 | F26 | F26-M29 HydrophobicContact CD1-CE 3.94Å; F26-M29 HydrophobicContact CE1-CE 4.34Å |
| 30 | T | 55.4 | Low | 50.4 | Low | 118 Ų | 118 | 149.7 Ų | 149.7 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -123 | 16.9 | 180 | 60.3 | 0 | 0 | 0 | 0 | 113 | ||
| 31 | H | 48.8 | Very low | 50.1 | Low | 143 Ų | 143 | 154.2 Ų | 154.2 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | trans | -95.9 | 95 | 170.4 | -163.6 | 46 | 0 | 0 | 0 | 107.8 | ||||
| 32 | D | 48.7 | Very low | 49.2 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -89.6 | 123.4 | 168.5 | -142.2 | 3.8 | 0 | 0 | 0 | 106.3 | D34 | D32-D34 PolarHBondContact O-N 3.42Š| ||
| 33 | D | 48.7 | Very low | 48.1 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -72.6 | 114.8 | 171.3 | -76.2 | -52.1 | 0 | 0 | 0 | 107.2 | D35 | D33-D35 PolarHBondContact O-N 3.35Š| ||
| 34 | D | 52.3 | Low | 47.5 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -64.2 | 95.7 | 171.2 | -82 | -40.5 | 0 | 0 | 0 | 109.1 | D32 | D32-D34 PolarHBondContact O-N 3.42Š| ||
| 35 | D | 52.4 | Low | 46.5 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -110.8 | 116.9 | 158.9 | -85.5 | -32.6 | 0 | 0 | 0 | 108.9 | D33 | D33-D35 PolarHBondContact O-N 3.35Š| ||
| 36 | E | 51.3 | Low | 45.6 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -57.4 | 124.4 | 176.2 | -62.9 | 166.5 | 161.5 | 0 | 0 | 111.3 | ||||
| 37 | D | 47.4 | Very low | 44.8 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -156.2 | 117.6 | 143.2 | -113.4 | -20.7 | 0 | 0 | 0 | 111.4 | ||||
| 38 | D | 48.7 | Very low | 43.9 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -78.1 | 106 | 176.1 | -80.9 | -47 | 0 | 0 | 0 | 110.6 | ||||
| 39 | E | 43.3 | Very low | 43.4 | Very low | 189 Ų | 189 | 158.7 Ų | 158.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -143.6 | 109.3 | 157.5 | -65.5 | -165.6 | -155.1 | 0 | 0 | 113.3 | ||||
| 40 | E | 44.7 | Very low | 42.5 | Very low | 199 Ų | 199 | 160.5 Ų | 160.5 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -51.8 | 122.8 | 166.5 | 174.2 | -172.4 | -165.1 | 0 | 0 | 114 | ||||
| 41 | E | 40.4 | Very low | 41.7 | Very low | 162 Ų | 162 | 161 Ų | 161 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -158 | 117.7 | 143 | -152.9 | 169.2 | -166.9 | 0 | 0 | 113 | F43 | E41-F43 HydrophobicContact CG-CE2 4.37Š| ||
| 42 | G | 34.2 | Very low | 41.1 | Very low | 59 Ų | 59 | 163.2 Ų | 163.2 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 136.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 43 | F | 27.5 | Very low | 40.7 | Very low | 179 Ų | 179 | 164.9 Ų | 164.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -118.1 | 96 | 162.2 | -80.8 | -83.1 | 0 | 0 | 0 | 110.7 | E41 | E41-F43 HydrophobicContact CG-CE2 4.37Š| ||
| 44 | Y | 36.3 | Very low | 40.3 | Very low | 221 Ų | 221 | 164.1 Ų | 164.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 127.3 | 160.3 | -73.6 | -93.5 | 0 | 0 | 0 | 109.4 | ||||
| 45 | Y | 37.3 | Very low | 40 | Very low | 232 Ų | 232 | 161.5 Ų | 161.5 | 91% | 0.91 | 78% | 0.784 | S | S | * | * | trans | -138 | 97.3 | 146.4 | -103.9 | -83.8 | 0 | 0 | 0 | 109.7 | ||||
| 46 | D | 38.5 | Very low | 39.6 | Very low | 139 Ų | 139 | 160.1 Ų | 160.1 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 140 | 144.8 | -169.8 | 36.4 | 0 | 0 | 0 | 108.9 | ||||
| 47 | G | 32.8 | Very low | 39.3 | Very low | 51 Ų | 51 | 157 Ų | 157 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | 129.8 | 112.2 | 53.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 48 | F | 34 | Very low | 39.4 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | 83.9 | 131.8 | 144.4 | -62.9 | -81.4 | 0 | 0 | 0 | 124.8 | ||||
| 49 | R | 38.2 | Very low | 39.4 | Very low | 201 Ų | 201 | 154.2 Ų | 154.2 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | 100.9 | 136 | 147 | -63.1 | -141.1 | -162.6 | -107.1 | 5.4 | 116.4 | ||||
| 50 | R | 32.7 | Very low | 39.6 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | cis | -169.3 | 158.6 | 8.7 | -137.1 | -178.5 | 157.7 | 142.1 | -5.1 | 110.2 | ||||
| 51 | D | 37.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | trans | 65 | 85.1 | 151.5 | -61.1 | -24.4 | 0 | 0 | 0 | 118.8 | ||||
| 52 | Q | 36.1 | Very low | 40.4 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | 172.9 | 67.8 | 116.2 | -168.2 | 162.9 | 22.7 | 0 | 0 | 108.7 | D54 | Q52-D54 PolarHBondContact O-N 3.01Š| |||
| 53 | Q | 39.9 | Very low | 40.9 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -89.6 | 106.9 | 174.4 | -70.8 | -176.7 | -13.3 | 0 | 0 | 108.5 | ||||
| 54 | D | 40.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 58% | 0.578 | 69% | 0.689 | S | S | * | * | trans | -57.2 | 133.4 | 170.9 | -105.2 | -48.7 | 0 | 0 | 0 | 109.5 | Q52 L56 D57 | Q52-D54 PolarHBondContact O-N 3.01Å; D54-L56 PolarHBondContact O-N 3.47Å; D54-D57 PolarHBondContact O-N 3.18Å | ||
| 55 | P | 46.4 | Very low | 42.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -19 | -179.3 | -27.4 | 34.7 | 0 | 0 | 0 | 114.8 | ||
| 56 | L | 42.7 | Very low | 42.2 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -25.1 | -179.5 | -58.3 | 176.8 | 0 | 0 | 0 | 113.1 | D54 R58 A59 | D54-L56 PolarHBondContact O-N 3.47Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.19Å; L56-A59 PolarHBondContact O-N 3.47Å |
| 57 | D | 46 | Very low | 42.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -23.7 | -174.1 | -119.9 | 13 | 0 | 0 | 0 | 112.7 | D54 | D54-D57 PolarHBondContact O-N 3.18Š|
| 58 | R | 49.1 | Very low | 43.2 | Very low | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -23.3 | 175.8 | -160.9 | 173.9 | -178.4 | 180 | 0.7 | 112.8 | L56 | L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.19Å |
| 59 | A | 48.5 | Very low | 43.7 | Very low | 35 Ų | 35 | 133.1 Ų | 133.1 | 29% | 0.289 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L56 P76 V78 | L56-A59 PolarHBondContact O-N 3.47Å; A59-P76 WeakPolarHBondContact O-CB 3.32Å; A59-V78 WeakPolarHBondContact O-CG2 3.48Å |
| 60 | W | 47 | Very low | 44.4 | Very low | 174 Ų | 174 | 125.3 Ų | 125.3 | 66% | 0.659 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -121 | 9.3 | -177.4 | -65.9 | 71.1 | 0 | 0 | 0 | 113 | F62 | W60-F62 PolarHBondContact O-N 3.43Š|
| 61 | R | 50.7 | Low | 45 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | trans | -79.8 | 108.8 | -179.4 | -165.1 | 179.3 | -161.2 | -153.7 | 4 | 110.5 | G63 | R61-G63 PolarHBondContact O-N 2.7Š| ||
| 62 | F | 51.1 | Low | 45.7 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 45% | 0.452 | 62% | 0.62 | S | S | . | * | trans | -70.8 | 114.6 | 164.5 | -76.3 | -84.7 | 0 | 0 | 0 | 109.3 | W60 F73 F79 | W60-F62 PolarHBondContact O-N 3.43Å; F62-F73 HydrophobicContact CD1-CE1 4.43Å; F62-F73 AromaticContact CD1-CE2 3.81Å; F62-F73 HydrophobicContact CD1-CE2 3.81Å; F62-F73 AromaticContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CE1-CE1 4.35Å; F62-F73 HydrophobicContact CE1-CE2 4.27Å; F62-F73 AromaticContact CE1-CZ 3.55Å; F62-F73 HydrophobicContact CE1-CZ 3.55Å; F62-F79 AromaticContact CZ-CD2 3.96Å; F62-F79 HydrophobicContact CZ-CD2 3.96Å; F62-F79 AromaticContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CZ 4.32Å | ||
| 63 | G | 44.9 | Very low | 46.4 | Very low | 22 Ų | 22 | 121.8 Ų | 121.8 | 23% | 0.227 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 110.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R61 Q74 | R61-G63 PolarHBondContact O-N 2.7Å; G63-Q74 PolarHBondContact O-N 2.82Å |
| 64 | F | 43.8 | Very low | 47 | Very low | 188 Ų | 188 | 119.2 Ų | 119.2 | 83% | 0.825 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 124 | 158.2 | 53.9 | -87.7 | 0 | 0 | 0 | 107.1 | ||
| 65 | S | 45.5 | Very low | 47.7 | Very low | 34 Ų | 34 | 118.1 Ų | 118.1 | 24% | 0.238 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.4 | 168.4 | 43 | 0 | 0 | 0 | 0 | 109.1 | R72 | S65-R72 PolarHBondContact N-O 2.89Å; S65-R72 WeakPolarHBondContact O-CG 3.48Å; S65-R72 PolarHBondContact O-N 3.33Å; S65-R72 VanDerWaalsContact O-N 3.15Å; S65-R72 WeakPolarHBondContact OG-CD 3.45Å; S65-R72 VanDerWaalsContact OG-CG 3.27Å; S65-R72 WeakPolarHBondContact OG-CG 3.4Å; S65-R72 PolarHBondContact OG-NE 3.34Å |
| 66 | L | 39.1 | Very low | 48.3 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 68% | 0.681 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.5 | 172.9 | -158.4 | 70.7 | 0 | 0 | 0 | 106.7 | M71 | L66-M71 HydrophobicContact CD1-CE 3.66Å; L66-M71 HydrophobicContact CD1-CG 4.07Å; L66-M71 HydrophobicContact CD1-SD 3.34Å; L66-M71 WeakPolarHBondContact CD1-SD 3.44Å |
| 67 | G | 48.3 | Very low | 49.2 | Very low | 15 Ų | 15 | 112 Ų | 112 | 16% | 0.155 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.9 | 172 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D69 G70 | G67-D69 PolarHBondContact O-N 3.48Å; G67-G70 PolarHBondContact O-N 2.91Å |
| 68 | P | 45.4 | Very low | 49.9 | Very low | 151 Ų | 151 | 108.7 Ų | 108.7 | 98% | 0.981 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -1.5 | -178.3 | 23.6 | -33.8 | 0 | 0 | 0 | 115 | ||
| 69 | D | 42.9 | Very low | 50.9 | Low | 162 Ų | 162 | 101.2 Ų | 101.2 | 87% | 0.866 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 13.9 | 179.4 | -144 | 25.3 | 0 | 0 | 0 | 112.4 | G67 | G67-D69 PolarHBondContact O-N 3.48Š|
| 70 | G | 54 | Low | 51.6 | Low | 38 Ų | 38 | 100.7 Ų | 100.7 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.2 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G67 R72 | G67-G70 PolarHBondContact O-N 2.91Å; G70-R72 PolarHBondContact O-N 3.28Å; G70-R72 VanDerWaalsContact O-N 3.1Å |
| 71 | M | 46 | Very low | 52.6 | Low | 164 Ų | 164 | 98.7 Ų | 98.7 | 81% | 0.808 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 110.2 | 177.6 | -96.5 | 85.1 | 174.2 | 0 | 0 | 110.5 | L66 | L66-M71 HydrophobicContact CD1-CE 3.66Å; L66-M71 HydrophobicContact CD1-CG 4.07Å; L66-M71 HydrophobicContact CD1-SD 3.34Å; L66-M71 WeakPolarHBondContact CD1-SD 3.44Å |
| 72 | R | 51.8 | Low | 53.7 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117.8 | 170.6 | 43.9 | 170.6 | -173.4 | -112.7 | -3.1 | 110 | S65 G70 | S65-R72 PolarHBondContact N-O 2.89Å; S65-R72 WeakPolarHBondContact O-CG 3.48Å; S65-R72 PolarHBondContact O-N 3.33Å; S65-R72 VanDerWaalsContact O-N 3.15Å; S65-R72 WeakPolarHBondContact OG-CD 3.45Å; S65-R72 VanDerWaalsContact OG-CG 3.27Å; S65-R72 WeakPolarHBondContact OG-CG 3.4Å; S65-R72 PolarHBondContact OG-NE 3.34Å; G70-R72 PolarHBondContact O-N 3.28Å; G70-R72 VanDerWaalsContact O-N 3.1Å |
| 73 | F | 50.9 | Low | 54.6 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.1 | 173.5 | -173.9 | -100.4 | 0 | 0 | 0 | 108.9 | F62 E75 | F62-F73 HydrophobicContact CD1-CE1 4.43Å; F62-F73 AromaticContact CD1-CE2 3.81Å; F62-F73 HydrophobicContact CD1-CE2 3.81Å; F62-F73 AromaticContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CE1-CE1 4.35Å; F62-F73 HydrophobicContact CE1-CE2 4.27Å; F62-F73 AromaticContact CE1-CZ 3.55Å; F62-F73 HydrophobicContact CE1-CZ 3.55Å; F73-E75 HydrophobicContact CD1-CB 3.86Å; F73-E75 HydrophobicContact CE1-CB 3.58Å; F73-E75 HydrophobicContact CE1-CG 3.95Å; F73-E75 PolarHBondContact O-N 3.34Å |
| 74 | Q | 52.7 | Low | 56.1 | Low | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 96.2 | 166.1 | -83.1 | -179.6 | 9.5 | 0 | 0 | 108.7 | G63 | G63-Q74 PolarHBondContact O-N 2.82Å |
| 75 | E | 54.2 | Low | 57.4 | Low | 86 Ų | 86 | 90.7 Ų | 90.7 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | trans | -67.4 | 131.8 | 167.8 | -167.5 | -178.8 | 133.6 | 0 | 0 | 109.1 | F73 A77 F79 | F73-E75 HydrophobicContact CD1-CB 3.86Å; F73-E75 HydrophobicContact CE1-CB 3.58Å; F73-E75 HydrophobicContact CE1-CG 3.95Å; F73-E75 PolarHBondContact O-N 3.34Å; E75-A77 PolarHBondContact O-N 3.42Å; E75-F79 HydrophobicContact CG-CB 3.77Å; E75-F79 HydrophobicContact CG-CD1 3.66Å; E75-F79 HydrophobicContact CG-CG 4.04Å; E75-F79 VanDerWaalsContact OE1-CD1 3.27Å; E75-F79 WeakPolarHBondContact OE1-CD1 3.41Å | ||
| 76 | P | 60.1 | Low | 58.7 | Low | 14 Ų | 14 | 92 Ų | 92 | 9% | 0.091 | 49% | 0.485 | C | S | . | . | trans | -61.8 | 133.6 | 173.8 | -14.1 | 25.3 | 0 | 0 | 0 | 110.1 | A59 V78 F79 | A59-P76 WeakPolarHBondContact O-CB 3.32Å; P76-V78 HydrophobicContact CB-CG2 4.05Å; P76-V78 PolarHBondContact O-N 3.41Å; P76-F79 VanDerWaalsContact O-CB 3.24Å; P76-F79 WeakPolarHBondContact O-CB 3.23Å; P76-F79 PolarHBondContact O-N 3.22Å | ||
| 77 | A | 60.8 | Low | 60.3 | Low | 94 Ų | 94 | 90.1 Ų | 90.1 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E75 | E75-A77 PolarHBondContact O-N 3.42Š|
| 78 | V | 61.5 | Low | 61.6 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 35% | 0.345 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19.1 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | A59 P76 G80 H81 V82 | A59-V78 WeakPolarHBondContact O-CG2 3.48Å; P76-V78 HydrophobicContact CB-CG2 4.05Å; P76-V78 PolarHBondContact O-N 3.41Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.27Å; V78-H81 WeakPolarHBondContact O-CB 3.27Å; V78-H81 PolarHBondContact O-N 3.34Å; V78-V82 PolarHBondContact O-N 3.03Å; V78-V82 VanDerWaalsContact O-N 3.09Å |
| 79 | F | 68.6 | Low | 63.1 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 30% | 0.298 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | -178.4 | -168.3 | -108.6 | 0 | 0 | 0 | 111.6 | F62 E75 P76 H81 V82 L83 | F62-F79 AromaticContact CZ-CD2 3.96Å; F62-F79 HydrophobicContact CZ-CD2 3.96Å; F62-F79 AromaticContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CZ 4.32Å; E75-F79 HydrophobicContact CG-CB 3.77Å; E75-F79 HydrophobicContact CG-CD1 3.66Å; E75-F79 HydrophobicContact CG-CG 4.04Å; E75-F79 VanDerWaalsContact OE1-CD1 3.27Å; E75-F79 WeakPolarHBondContact OE1-CD1 3.41Å; P76-F79 VanDerWaalsContact O-CB 3.24Å; P76-F79 WeakPolarHBondContact O-CB 3.23Å; P76-F79 PolarHBondContact O-N 3.22Å; F79-H81 PolarHBondContact O-N 3.31Å; F79-V82 PolarHBondContact O-N 2.92Å; F79-L83 HydrophobicContact CD1-CD1 3.67Å; F79-L83 HydrophobicContact CD1-CG 4.13Å; F79-L83 HydrophobicContact CE1-CD1 3.35Å; F79-L83 HydrophobicContact CE1-CD2 4.44Å; F79-L83 HydrophobicContact CE1-CG 3.96Å; F79-L83 HydrophobicContact CZ-CD1 4Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.21Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.15Å |
| 80 | G | 64.4 | Low | 64.4 | Low | 24 Ų | 24 | 89.4 Ų | 89.4 | 25% | 0.247 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.2 | -27 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V78 R84 | V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.27Å; G80-R84 WeakPolarHBondContact O-CB 3.32Å; G80-R84 PolarHBondContact O-N 3.06Å |
| 81 | H | 67.5 | Low | 65 | Low | 132 Ų | 132 | 91.3 Ų | 91.3 | 61% | 0.611 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.3 | -41.8 | 173.3 | -71.3 | -74.1 | 0 | 0 | 0 | 111.6 | V78 F79 R84 E85 | V78-H81 WeakPolarHBondContact O-CB 3.27Å; V78-H81 PolarHBondContact O-N 3.34Å; F79-H81 PolarHBondContact O-N 3.31Å; H81-R84 PolarHBondContact O-N 3.3Å; H81-E85 WeakPolarHBondContact O-CB 3.49Å; H81-E85 PolarHBondContact O-N 2.87Å |
| 82 | V | 73.3 | Confident | 65.9 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 35% | 0.352 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | V78 F79 R84 E85 M86 | V78-V82 PolarHBondContact O-N 3.03Å; V78-V82 VanDerWaalsContact O-N 3.09Å; F79-V82 PolarHBondContact O-N 2.92Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.46Å; V82-E85 PolarHBondContact O-N 3.48Å; V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.44Å |
| 83 | L | 71.6 | Confident | 66.1 | Low | 14 Ų | 14 | 87.9 Ų | 87.9 | 7% | 0.073 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 178.1 | -72 | -176.9 | 0 | 0 | 0 | 112.6 | F4 F79 M86 E87 | F4-L83 HydrophobicContact CD1-CD1 4.12Å; F4-L83 HydrophobicContact CE1-CD1 3.31Å; F4-L83 HydrophobicContact CE2-CB 4.12Å; F4-L83 HydrophobicContact CE2-CD1 3.98Å; F4-L83 HydrophobicContact CZ-CB 3.85Å; F4-L83 HydrophobicContact CZ-CD1 3.24Å; F4-L83 HydrophobicContact CZ-CG 4.2Å; F79-L83 HydrophobicContact CD1-CD1 3.67Å; F79-L83 HydrophobicContact CD1-CG 4.13Å; F79-L83 HydrophobicContact CE1-CD1 3.35Å; F79-L83 HydrophobicContact CE1-CD2 4.44Å; F79-L83 HydrophobicContact CE1-CG 3.96Å; F79-L83 HydrophobicContact CZ-CD1 4Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.21Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.15Å; L83-M86 HydrophobicContact CD2-CE 4.02Å; L83-M86 PolarHBondContact O-N 3.09Å; L83-E87 WeakPolarHBondContact O-CB 3.34Å; L83-E87 PolarHBondContact O-N 3.26Å |
| 84 | R | 74.8 | Confident | 66.3 | Low | 161 Ų | 161 | 84 Ų | 84 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.9 | -41.7 | 174.6 | -171.7 | -177.4 | -53.2 | -78.3 | -5 | 112 | G80 H81 V82 M86 E87 E88 | G80-R84 WeakPolarHBondContact O-CB 3.32Å; G80-R84 PolarHBondContact O-N 3.06Å; H81-R84 PolarHBondContact O-N 3.3Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.46Å; R84-M86 VanDerWaalsContact C-N 3.32Å; R84-E87 PolarHBondContact O-N 3.13Å; R84-E88 WeakPolarHBondContact O-CB 3.1Å; R84-E88 PolarHBondContact O-N 2.87Å |
| 85 | E | 72 | Confident | 66.2 | Low | 115 Ų | 115 | 88.2 Ų | 88.2 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 173.7 | -174.7 | 178.2 | -178.1 | 0 | 0 | 111 | H81 V82 E88 I89 | H81-E85 WeakPolarHBondContact O-CB 3.49Å; H81-E85 PolarHBondContact O-N 2.87Å; V82-E85 PolarHBondContact O-N 3.48Å; E85-E88 WeakPolarHBondContact O-CB 3.09Å; E85-E88 PolarHBondContact O-N 3.21Å; E85-I89 HydrophobicContact CG-CD1 4.25Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.33Å; E85-I89 PolarHBondContact O-N 3.1Å |
| 86 | M | 72.6 | Confident | 65.8 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 30% | 0.296 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 176.7 | -152.7 | -177.9 | 63.5 | 0 | 0 | 111.6 | V3 V82 L83 R84 E88 I89 F90 | V3-M86 HydrophobicContact CB-CE 4.29Å; V3-M86 HydrophobicContact CG1-CE 3.93Å; V3-M86 HydrophobicContact CG2-CE 4.27Å; V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.44Å; L83-M86 HydrophobicContact CD2-CE 4.02Å; L83-M86 PolarHBondContact O-N 3.09Å; R84-M86 VanDerWaalsContact C-N 3.32Å; M86-E88 VanDerWaalsContact C-N 3.31Å; M86-E88 PolarHBondContact O-N 2.96Å; M86-I89 PolarHBondContact O-N 3.48Å; M86-F90 HydrophobicContact CE-CE2 4.01Å; M86-F90 HydrophobicContact CG-CD2 3.98Å; M86-F90 HydrophobicContact CG-CE2 3.51Å; M86-F90 HydrophobicContact CG-CZ 4.45Å; M86-F90 WeakPolarHBondContact O-CD2 2.99Å; M86-F90 PolarHBondContact O-N 3.05Å; M86-F90 HydrophobicContact SD-CE2 3.98Å |
| 87 | E | 73.4 | Confident | 65.2 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 171.5 | -176.4 | 178.6 | -165 | 0 | 0 | 112 | L83 R84 F90 S91 | L83-E87 WeakPolarHBondContact O-CB 3.34Å; L83-E87 PolarHBondContact O-N 3.26Å; R84-E87 PolarHBondContact O-N 3.13Å; E87-F90 PolarHBondContact O-N 3.48Å; E87-S91 VanDerWaalsContact O-CB 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.3Å; E87-S91 PolarHBondContact O-N 3.18Å; E87-S91 PolarHBondContact O-OG 3.15Å |
| 88 | E | 75.5 | Confident | 64.4 | Low | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.2 | -169.3 | -179.1 | 164.3 | 0 | 0 | 111.6 | R84 E85 M86 F90 S91 Q92 | R84-E88 WeakPolarHBondContact O-CB 3.1Å; R84-E88 PolarHBondContact O-N 2.87Å; E85-E88 WeakPolarHBondContact O-CB 3.09Å; E85-E88 PolarHBondContact O-N 3.21Å; M86-E88 VanDerWaalsContact C-N 3.31Å; M86-E88 PolarHBondContact O-N 2.96Å; E88-F90 PolarHBondContact O-N 2.9Å; E88-S91 PolarHBondContact O-N 3.27Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 2.93Å |
| 89 | I | 75.5 | Confident | 63 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.2 | -66.8 | 162.4 | 0 | 0 | 0 | 110.8 | E85 M86 Q92 L93 | E85-I89 HydrophobicContact CG-CD1 4.25Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.33Å; E85-I89 PolarHBondContact O-N 3.1Å; M86-I89 PolarHBondContact O-N 3.48Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.5Å; I89-L93 PolarHBondContact O-N 3.14Å |
| 90 | F | 70.7 | Confident | 62.1 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.6 | -30.5 | 178.3 | -72.2 | -57.6 | 0 | 0 | 0 | 113.1 | M86 E87 E88 Q92 L93 G94 | M86-F90 HydrophobicContact CE-CE2 4.01Å; M86-F90 HydrophobicContact CG-CD2 3.98Å; M86-F90 HydrophobicContact CG-CE2 3.51Å; M86-F90 HydrophobicContact CG-CZ 4.45Å; M86-F90 WeakPolarHBondContact O-CD2 2.99Å; M86-F90 PolarHBondContact O-N 3.05Å; M86-F90 HydrophobicContact SD-CE2 3.98Å; E87-F90 PolarHBondContact O-N 3.48Å; E88-F90 PolarHBondContact O-N 2.9Å; F90-Q92 VanDerWaalsContact C-N 3.35Å; F90-L93 HydrophobicContact CD1-CD2 4.16Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 3.12Å; F90-G94 PolarHBondContact O-N 2.66Å |
| 91 | S | 67.6 | Low | 61.2 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.8 | -36.3 | 172.9 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | E87 E88 R95 | E87-S91 VanDerWaalsContact O-CB 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.3Å; E87-S91 PolarHBondContact O-N 3.18Å; E87-S91 PolarHBondContact O-OG 3.15Å; E88-S91 PolarHBondContact O-N 3.27Å; S91-R95 PolarHBondContact O-N 3.32Å |
| 92 | Q | 63.7 | Low | 60.2 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -40.5 | 170.1 | -70.4 | 175.4 | 44.8 | 0 | 0 | 110.9 | E88 I89 F90 G94 R95 | E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 2.93Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.5Å; F90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-G94 PolarHBondContact O-N 3.42Å; Q92-R95 VanDerWaalsContact O-CB 3.23Å; Q92-R95 WeakPolarHBondContact O-CB 3.23Å; Q92-R95 PolarHBondContact O-N 3.17Å |
| 93 | L | 57.4 | Low | 58.6 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 177 | -160.8 | 71.7 | 0 | 0 | 0 | 112.4 | I89 F90 R95 W96 | I89-L93 PolarHBondContact O-N 3.14Å; F90-L93 HydrophobicContact CD1-CD2 4.16Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 3.12Å; L93-R95 PolarHBondContact O-N 2.91Å; L93-W96 WeakPolarHBondContact O-CB 3.47Å; L93-W96 PolarHBondContact O-N 3.33Å; L93-W96 VanDerWaalsContact O-N 3.12Å |
| 94 | G | 54.8 | Low | 57.5 | Low | 53 Ų | 53 | 121 Ų | 121 | 55% | 0.546 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.2 | -16.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F90 Q92 | F90-G94 PolarHBondContact O-N 2.66Å; Q92-G94 PolarHBondContact O-N 3.42Å |
| 95 | R | 51 | Low | 55.7 | Low | 218 Ų | 218 | 123 Ų | 123 | 82% | 0.823 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -15.8 | 174.9 | -141.6 | 177.8 | -167.7 | -94.3 | 2.1 | 113.1 | S91 Q92 L93 E97 | S91-R95 PolarHBondContact O-N 3.32Å; Q92-R95 VanDerWaalsContact O-CB 3.23Å; Q92-R95 WeakPolarHBondContact O-CB 3.23Å; Q92-R95 PolarHBondContact O-N 3.17Å; L93-R95 PolarHBondContact O-N 2.91Å; R95-E97 VanDerWaalsContact C-N 3.29Å |
| 96 | W | 45.4 | Very low | 54.5 | Low | 218 Ų | 218 | 121.2 Ų | 121.2 | 83% | 0.826 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -78 | -14.2 | 171.2 | -68.5 | 82.2 | 0 | 0 | 0 | 112.8 | L93 G98 | L93-W96 WeakPolarHBondContact O-CB 3.47Å; L93-W96 PolarHBondContact O-N 3.33Å; L93-W96 VanDerWaalsContact O-N 3.12Å; W96-G98 PolarHBondContact O-N 3.27Å |
| 97 | E | 46.9 | Very low | 53.2 | Low | 138 Ų | 138 | 124 Ų | 124 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.4 | -2.1 | 174.3 | -159.7 | 70.3 | -141.4 | 0 | 0 | 112.5 | R95 R109 | R95-E97 VanDerWaalsContact C-N 3.29Å; E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 3.02Å; E97-R109 IonicContact OE1-NH2 3.94Å; E97-R109 PolarHBondContact OE1-NH2 3.45Å |
| 98 | G | 44.1 | Very low | 51.6 | Low | 62 Ų | 62 | 125.1 Ų | 125.1 | 64% | 0.639 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -124 | 31.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117 | W96 | W96-G98 PolarHBondContact O-N 3.27Š|
| 99 | H | 33.1 | Very low | 49.9 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | trans | -120.8 | 111.3 | 165.7 | -153 | -65.6 | 0 | 0 | 0 | 109.8 | ||||
| 100 | P | 49.1 | Very low | 48.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | trans | -75.8 | 148.8 | 163 | 33.8 | -28.7 | 0 | 0 | 0 | 107.8 | ||||
| 101 | E | 45.1 | Very low | 47.3 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 91.6 | 104.7 | 167.8 | -46.8 | -164.8 | 167 | 0 | 0 | 117.4 | ||
| 102 | S | 47.5 | Very low | 46.4 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | 106.1 | 114.7 | 146.4 | 75.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 103 | G | 38.9 | Very low | 45.5 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 116.4 | 68.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | F105 | G103-F105 PolarHBondContact O-N 3.28Å; G103-F105 VanDerWaalsContact O-N 3.16Å | ||
| 104 | H | 47.5 | Very low | 45.1 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | 11.8 | 87.2 | 144.2 | -162.8 | -76.3 | 0 | 0 | 0 | 118.1 | ||||
| 105 | F | 37.5 | Very low | 44.4 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -131.2 | 119.7 | 151.1 | -93.6 | -87.9 | 0 | 0 | 0 | 108.9 | G103 V107 | G103-F105 PolarHBondContact O-N 3.28Å; G103-F105 VanDerWaalsContact O-N 3.16Å; F105-V107 PolarHBondContact O-N 2.67Å; F105-V107 VanDerWaalsContact O-N 3.15Å | ||
| 106 | G | 47.5 | Very low | 44 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -71.9 | 103.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 107 | V | 44 | Very low | 44 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -131.4 | 124.3 | 159.4 | -169.3 | 0 | 0 | 0 | 0 | 106.3 | F105 R109 | F105-V107 PolarHBondContact O-N 2.67Å; F105-V107 VanDerWaalsContact O-N 3.15Å; V107-R109 PolarHBondContact O-N 2.98Å | ||
| 108 | P | 40.3 | Very low | 43.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -69.9 | 106.7 | 178.1 | 27.5 | -29.5 | 0 | 0 | 0 | 108.5 | I110 | P108-I110 PolarHBondContact O-N 3.22Š| ||
| 109 | R | 39.9 | Very low | 43.4 | Very low | 181 Ų | 181 | 138 Ų | 138 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 112.1 | 167.1 | -72.1 | 175.2 | 104.9 | -163.4 | 8.7 | 107.7 | E97 V107 L111 | E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 3.02Å; E97-R109 IonicContact OE1-NH2 3.94Å; E97-R109 PolarHBondContact OE1-NH2 3.45Å; V107-R109 PolarHBondContact O-N 2.98Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.62Å | ||
| 110 | I | 44.6 | Very low | 43.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -76 | 89.9 | 170.7 | -57.5 | 170.3 | 0 | 0 | 0 | 106.7 | P108 | P108-I110 PolarHBondContact O-N 3.22Š| ||
| 111 | L | 47.8 | Very low | 43.6 | Very low | 132 Ų | 132 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 133.6 | 160.9 | -125.6 | 92.8 | 0 | 0 | 0 | 107.6 | R109 | R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.62Å |
| 112 | P | 47.3 | Very low | 43.4 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131.6 | 165.6 | 26.4 | -31.1 | 0 | 0 | 0 | 108.6 | S114 | P112-S114 PolarHBondContact O-N 2.92Š|
| 113 | P | 45.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134 | 180 | 26.9 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 114 | S | 49.1 | Very low | 44.3 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.3 | 166 | -38.3 | 0 | 0 | 0 | 0 | 109.9 | P112 P116 | P112-S114 PolarHBondContact O-N 2.92Å; S114-P116 WeakPolarHBondContact O-CD 3.33Å |
| 115 | P | 41.3 | Very low | 45.2 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.9 | -178.6 | 26.3 | -32.3 | 0 | 0 | 0 | 110.4 | Q117 | P115-Q117 PolarHBondContact O-N 2.84Š|
| 116 | P | 42.1 | Very low | 46.9 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 116.6 | 170 | 27.8 | -28.9 | 0 | 0 | 0 | 109 | S114 G118 | S114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-G118 PolarHBondContact O-N 3.43Å |
| 117 | Q | 45.6 | Very low | 47.8 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 120.5 | 158.2 | -84.1 | 174.5 | -28.6 | 0 | 0 | 108.8 | P115 | P115-Q117 PolarHBondContact O-N 2.84Š|
| 118 | G | 41.3 | Very low | 49.1 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 105.7 | 113.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P116 | P116-G118 PolarHBondContact O-N 3.43Š| ||
| 119 | R | 37.6 | Very low | 50.2 | Low | 250 Ų | 250 | 130.1 Ų | 130.1 | 94% | 0.943 | 73% | 0.728 | S | S | * | * | trans | 102.9 | 125.6 | 142.1 | -70.2 | -176.7 | 164.6 | -160.3 | -4.4 | 119 | ||||
| 120 | S | 37.2 | Very low | 51.4 | Low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 88.8 | 102.7 | 152.4 | -122 | 0 | 0 | 0 | 0 | 116.6 | S122 | S120-S122 PolarHBondContact O-N 3.05Š| ||
| 121 | E | 49.3 | Very low | 52.8 | Low | 197 Ų | 197 | 128.7 Ų | 128.7 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | trans | -25.1 | 103 | 153.3 | -62.8 | 166.5 | 154.9 | 0 | 0 | 111.6 | ||||
| 122 | S | 40.8 | Very low | 53.8 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -108.7 | 99.9 | 162.2 | -171.4 | 0 | 0 | 0 | 0 | 106 | S120 G124 | S120-S122 PolarHBondContact O-N 3.05Å; S122-G124 PolarHBondContact O-N 3.15Å | ||
| 123 | S | 55.7 | Low | 54.6 | Low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -64.8 | 81.6 | 167.6 | 56 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 124 | G | 49.7 | Very low | 55.1 | Low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 72% | 0.719 | S | S | * | * | trans | -110.2 | 97.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S122 | S122-G124 PolarHBondContact O-N 3.15Š| ||
| 125 | N | 64.8 | Low | 55.6 | Low | 103 Ų | 103 | 131 Ų | 131 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | trans | -55.5 | 128.6 | 166.9 | -66.6 | -12.3 | 0 | 0 | 0 | 107.4 | D129 F130 | N125-D129 HydrophobicContact CB-CB 3.97Å; N125-F130 HydrophobicContact CB-CD2 4.35Å; N125-F130 HydrophobicContact CB-CE2 3.93Å | ||
| 126 | P | 74.9 | Confident | 56.1 | Low | 76 Ų | 76 | 131.9 Ų | 131.9 | 49% | 0.494 | 72% | 0.719 | S | S | . | * | trans | -58.6 | 151.9 | 179.4 | 24.2 | -32.6 | 0 | 0 | 0 | 109.3 | R128 D129 | P126-R128 HydrophobicContact CB-CB 4.48Å; P126-R128 CarbonylContact O-C 3.59Å; P126-R128 PolarHBondContact O-N 3.43Å; P126-D129 HydrophobicContact CG-CB 4.4Å; P126-D129 WeakPolarHBondContact O-CB 2.94Å; P126-D129 PolarHBondContact O-N 3.15Å | ||
| 127 | L | 66 | Low | 56.3 | Low | 137 Ų | 137 | 129.8 Ų | 129.8 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -48.9 | -30.5 | 179.3 | -170.9 | 69.3 | 0 | 0 | 0 | 112.7 | D129 F130 M131 | L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.16Å; L127-F130 PolarHBondContact O-N 3.37Å; L127-M131 PolarHBondContact O-N 3.03Å |
| 128 | R | 69.9 | Low | 56.1 | Low | 186 Ų | 186 | 126.4 Ų | 126.4 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -52.6 | -44.3 | 170.9 | -174.4 | 176.7 | -170.5 | -120.9 | 3.6 | 113.2 | P126 F130 M131 L132 | P126-R128 HydrophobicContact CB-CB 4.48Å; P126-R128 CarbonylContact O-C 3.59Å; P126-R128 PolarHBondContact O-N 3.43Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-M131 PolarHBondContact O-N 3.18Å; R128-L132 HydrophobicContact CG-CD1 4.08Å; R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3Å; R128-L132 VanDerWaalsContact O-N 3.08Å |
| 129 | D | 63.9 | Low | 56.4 | Low | 64 Ų | 64 | 128.8 Ų | 128.8 | 34% | 0.342 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -76.5 | -20.5 | -178.4 | -76.5 | 0.9 | 0 | 0 | 0 | 112.8 | N125 P126 L127 L132 | N125-D129 HydrophobicContact CB-CB 3.97Å; P126-D129 HydrophobicContact CG-CB 4.4Å; P126-D129 WeakPolarHBondContact O-CB 2.94Å; P126-D129 PolarHBondContact O-N 3.15Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.16Å; D129-L132 VanDerWaalsContact O-O 3.07Å |
| 130 | F | 65.9 | Low | 56.4 | Low | 158 Ų | 158 | 127.4 Ų | 127.4 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77.9 | -25.5 | 169.5 | -78.8 | -83.3 | 0 | 0 | 0 | 112.7 | N125 L127 R128 | N125-F130 HydrophobicContact CB-CD2 4.35Å; N125-F130 HydrophobicContact CB-CE2 3.93Å; L127-F130 PolarHBondContact O-N 3.37Å; R128-F130 VanDerWaalsContact C-N 3.34Å |
| 131 | M | 72.8 | Confident | 56.1 | Low | 156 Ų | 156 | 133.3 Ų | 133.3 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -84.6 | -20.3 | 174.4 | -67.5 | -178 | 64.2 | 0 | 0 | 112.7 | L127 R128 | L127-M131 PolarHBondContact O-N 3.03Å; R128-M131 PolarHBondContact O-N 3.18Å |
| 132 | L | 69.9 | Low | 55.5 | Low | 89 Ų | 89 | 132.1 Ų | 132.1 | 47% | 0.466 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -85.8 | 115.1 | 172.6 | -67 | 169.7 | 0 | 0 | 0 | 108.9 | R128 D129 S134 | R128-L132 HydrophobicContact CG-CD1 4.08Å; R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3Å; R128-L132 VanDerWaalsContact O-N 3.08Å; D129-L132 VanDerWaalsContact O-O 3.07Å; L132-S134 PolarHBondContact O-N 3.02Å |
| 133 | K | 64.8 | Low | 55.2 | Low | 207 Ų | 207 | 135.4 Ų | 135.4 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | -67 | 102.5 | 165.6 | -75.3 | -177.2 | 177.5 | -177.6 | 0 | 107.7 | P135 | K133-P135 VanDerWaalsContact O-CD 3.3Å; K133-P135 WeakPolarHBondContact O-CD 3.29Å | ||
| 134 | S | 55.5 | Low | 55 | Low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -65.3 | 120.8 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | L132 D136 | L132-S134 PolarHBondContact O-N 3.02Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 2.67Å | ||
| 135 | P | 57.9 | Low | 54.7 | Low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | trans | -90.1 | 23.6 | 179.5 | 36.6 | -33.3 | 0 | 0 | 0 | 113.2 | K133 | K133-P135 VanDerWaalsContact O-CD 3.3Å; K133-P135 WeakPolarHBondContact O-CD 3.29Å | ||
| 136 | D | 51.7 | Low | 53.3 | Low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -144.2 | 84.6 | 178.8 | -84.8 | -44.3 | 0 | 0 | 0 | 111.9 | S134 | S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 2.67Å | ||
| 137 | G | 48 | Very low | 52 | Low | 80 Ų | 80 | 152.9 Ų | 152.9 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -93.5 | 101.9 | 154 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 138 | D | 40.3 | Very low | 50.5 | Low | 128 Ų | 128 | 151.9 Ų | 151.9 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | -58.1 | 137 | -161.4 | -136.5 | -16.2 | 0 | 0 | 0 | 115.3 | R140 | D138-R140 PolarHBondContact O-N 2.79Š| ||
| 139 | V | 47.3 | Very low | 49.1 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -57.7 | 111.1 | 171.8 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 140 | R | 38.2 | Very low | 48 | Very low | 220 Ų | 220 | 155.2 Ų | 155.2 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -132.4 | 101.4 | 165.1 | -75.5 | -166.4 | 165.1 | 170.6 | -2 | 113.8 | D138 | D138-R140 PolarHBondContact O-N 2.79Š| ||
| 141 | R | 30.6 | Very low | 46.7 | Very low | 236 Ų | 236 | 156.8 Ų | 156.8 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | 90 | 106.7 | 153.3 | -61.5 | -165.4 | -130.3 | -142.2 | 2.8 | 118.4 | ||||
| 142 | L | 37.7 | Very low | 45.7 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -63 | 129.2 | 152.1 | -86.2 | 75.1 | 0 | 0 | 0 | 110.9 | ||||
| 143 | H | 34.3 | Very low | 44.3 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -154.7 | 144.5 | 129.4 | -160.8 | -97.2 | 0 | 0 | 0 | 108.7 | |||||
| 144 | P | 50.4 | Low | 43.7 | Very low | 86 Ų | 86 | 150.8 Ų | 150.8 | 56% | 0.558 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 168.3 | -163.5 | 11.3 | 7.5 | 0 | 0 | 0 | 112.4 | ||||
| 145 | D | 44.3 | Very low | 43.1 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 77.3 | 79.9 | 171.1 | -55.1 | -27.9 | 0 | 0 | 0 | 116.9 | ||||
| 146 | R | 34 | Very low | 42.9 | Very low | 239 Ų | 239 | 157.5 Ų | 157.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -174.8 | 122.5 | 128 | -106 | 168.7 | 179.5 | -159.1 | -0.4 | 109.6 | P148 | R146-P148 VanDerWaalsContact O-CD 3.3Å; R146-P148 WeakPolarHBondContact O-CD 3.39Å | |||
| 147 | R | 47.8 | Very low | 43 | Very low | 249 Ų | 249 | 154.8 Ų | 154.8 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | trans | -58.7 | 131.8 | 161.8 | -61 | -178.6 | 178.6 | -164.5 | -1.3 | 108.5 | ||||
| 148 | P | 36 | Very low | 43.1 | Very low | 116 Ų | 116 | 162 Ų | 162 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -108.5 | 120.5 | 151.8 | 18.5 | 1.4 | 0 | 0 | 0 | 108.1 | R146 F150 | R146-P148 VanDerWaalsContact O-CD 3.3Å; R146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-F150 PolarHBondContact O-N 2.76Å | ||
| 149 | S | 40.6 | Very low | 43.6 | Very low | 112 Ų | 112 | 159.6 Ų | 159.6 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -41.3 | 130.7 | 159.4 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | E151 | S149-E151 PolarHBondContact O-N 2.76Š| ||
| 150 | F | 38.9 | Very low | 43.8 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 106.9 | 168.7 | -81.8 | -93.5 | 0 | 0 | 0 | 108.1 | P148 S152 | P148-F150 PolarHBondContact O-N 2.76Å; F150-S152 PolarHBondContact O-N 2.83Å | ||
| 151 | E | 38.9 | Very low | 44.7 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 115.2 | 163 | -78.9 | -179.2 | 157.7 | 0 | 0 | 107.6 | S149 | S149-E151 PolarHBondContact O-N 2.76Š| ||
| 152 | S | 51.5 | Low | 45.8 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -56.7 | 138.3 | 170.4 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | F150 | F150-S152 PolarHBondContact O-N 2.83Š| ||
| 153 | P | 42.5 | Very low | 46.6 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 145 | 171.3 | 27.5 | -31.3 | 0 | 0 | 0 | 110.1 | F155 | P153-F155 PolarHBondContact O-N 2.85Š| ||
| 154 | P | 50.8 | Low | 47.3 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -82.3 | 55.9 | -175.1 | 36.6 | -36.5 | 0 | 0 | 0 | 111.3 | ||
| 155 | F | 44.3 | Very low | 47.5 | Very low | 188 Ų | 188 | 147 Ų | 147 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -122.6 | 64.5 | 171.1 | -77.3 | -80.2 | 0 | 0 | 0 | 109.6 | P153 | P153-F155 PolarHBondContact O-N 2.85Š| ||
| 156 | N | 53.6 | Low | 47.9 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -76.9 | 119.6 | 161.5 | -80.9 | -6.8 | 0 | 0 | 0 | 108.5 | ||||
| 157 | G | 52.6 | Low | 48.7 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 146 | -6.8 | 151 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 158 | W | 49.4 | Very low | 48.8 | Very low | 233 Ų | 233 | 140.6 Ų | 140.6 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -132.8 | 91.7 | 174.9 | -158.7 | -34.4 | 0 | 0 | 0 | 111.8 | ||||
| 159 | S | 51.7 | Low | 49.5 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 54% | 0.538 | 73% | 0.734 | S | S | . | * | trans | -110.9 | 109.9 | 158.6 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | F161 | S159-F161 PolarHBondContact O-N 2.74Å; S159-F161 VanDerWaalsContact O-N 3.17Å | ||
| 160 | P | 52.6 | Low | 49.9 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 2.8 | 179.4 | 26 | -24.3 | 0 | 0 | 0 | 113.2 | ||
| 161 | F | 55.1 | Low | 50.4 | Low | 151 Ų | 151 | 136 Ų | 136 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 29.2 | -174.1 | -57 | -70.1 | 0 | 0 | 0 | 114.6 | S159 K163 F164 | S159-F161 PolarHBondContact O-N 2.74Å; S159-F161 VanDerWaalsContact O-N 3.17Å; F161-K163 PolarHBondContact O-N 3.06Å; F161-F164 PolarHBondContact O-N 3.2Å |
| 162 | S | 55.7 | Low | 50.7 | Low | 81 Ų | 81 | 132.8 Ų | 132.8 | 57% | 0.566 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -58.8 | -17.4 | 175.5 | -72.2 | 0 | 0 | 0 | 0 | 114.5 | F164 | S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 PolarHBondContact O-N 2.79Å |
| 163 | K | 53.7 | Low | 50.6 | Low | 183 Ų | 183 | 136.6 Ų | 136.6 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -77.1 | -7.9 | 176.6 | -60.4 | -173.7 | -179.2 | -174.6 | 0 | 114.2 | F161 | F161-K163 PolarHBondContact O-N 3.06Š|
| 164 | F | 49.3 | Very low | 50.9 | Low | 124 Ų | 124 | 143.2 Ų | 143.2 | 54% | 0.544 | 74% | 0.744 | S | S | . | * | G | 310 helix | trans | -92.2 | -17 | -177.4 | -152.4 | -104.8 | 0 | 0 | 0 | 113.1 | F161 S162 D166 W168 | F161-F164 PolarHBondContact O-N 3.2Å; S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 PolarHBondContact O-N 2.79Å; F164-D166 VanDerWaalsContact C-N 3.31Å; F164-D166 PolarHBondContact O-N 2.76Å; F164-W168 AromaticContact CD1-CD1 3.78Å; F164-W168 AromaticContact CD1-NE1 3.53Å; F164-W168 AromaticContact CE1-CD1 3.74Å; F164-W168 AromaticContact CE1-NE1 2.99Å; F164-W168 AromaticContact CZ-NE1 3.6Å |
| 165 | N | 54.7 | Low | 50.7 | Low | 120 Ų | 120 | 143.4 Ų | 143.4 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -71.9 | -22.9 | 179.6 | -77.3 | -25.4 | 0 | 0 | 0 | 113.4 | F167 W168 | N165-F167 VanDerWaalsContact C-N 3.26Å; N165-F167 PolarHBondContact O-N 2.75Å; N165-W168 PolarHBondContact O-N 2.76Å |
| 166 | D | 51.6 | Low | 51.3 | Low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -71.8 | -20.7 | 180 | -70 | -18.4 | 0 | 0 | 0 | 112.9 | F164 | F164-D166 VanDerWaalsContact C-N 3.31Å; F164-D166 PolarHBondContact O-N 2.76Å |
| 167 | F | 50.7 | Low | 50.8 | Low | 167 Ų | 167 | 135.5 Ų | 135.5 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -85.6 | -16 | -180 | -74 | -80.8 | 0 | 0 | 0 | 114.1 | N165 | N165-F167 VanDerWaalsContact C-N 3.26Å; N165-F167 PolarHBondContact O-N 2.75Å |
| 168 | W | 51.4 | Low | 51 | Low | 198 Ų | 198 | 138.3 Ų | 138.3 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 0.4 | -175 | -61.8 | 99 | 0 | 0 | 0 | 113.7 | F164 N165 | F164-W168 AromaticContact CD1-CD1 3.78Å; F164-W168 AromaticContact CD1-NE1 3.53Å; F164-W168 AromaticContact CE1-CD1 3.74Å; F164-W168 AromaticContact CE1-NE1 2.99Å; F164-W168 AromaticContact CZ-NE1 3.6Å; N165-W168 PolarHBondContact O-N 2.76Å |
| 169 | G | 49.7 | Very low | 51.3 | Low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -92.7 | -18.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 170 | E | 48.4 | Very low | 51.9 | Low | 186 Ų | 186 | 136.3 Ų | 136.3 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -111.4 | 74.3 | -174.7 | -155.2 | 169.8 | -166.6 | 0 | 0 | 111.4 | P172 | E170-P172 WeakPolarHBondContact O-CD 3.04Š| ||
| 171 | A | 49.1 | Very low | 52.5 | Low | 88 Ų | 88 | 141.9 Ų | 141.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -71.1 | 123 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q173 | A171-Q173 PolarHBondContact O-N 2.8Š| ||
| 172 | P | 46.5 | Very low | 53 | Low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | -60.9 | 135.4 | 170.1 | -18.2 | 30.9 | 0 | 0 | 0 | 109.5 | E170 R174 | E170-P172 WeakPolarHBondContact O-CD 3.04Å; P172-R174 PolarHBondContact O-N 2.91Å | ||
| 173 | Q | 49.2 | Very low | 53.8 | Low | 182 Ų | 182 | 143.5 Ų | 143.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -34.3 | 123.7 | 177.9 | -69.4 | -74.4 | -7 | 0 | 0 | 113.6 | A171 T175 | A171-Q173 PolarHBondContact O-N 2.8Å; Q173-T175 PolarHBondContact O-N 3.45Å | ||
| 174 | R | 49.7 | Very low | 54.9 | Low | 240 Ų | 240 | 145.6 Ų | 145.6 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -53 | 116.8 | 168.2 | -75.6 | 175.5 | 171.5 | 175.3 | -3.5 | 110 | P172 | P172-R174 PolarHBondContact O-N 2.91Š| ||
| 175 | T | 44.8 | Very low | 56.5 | Low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -74.4 | 137.4 | 154.2 | 45.2 | 0 | 0 | 0 | 0 | 109.2 | Q173 G177 | Q173-T175 PolarHBondContact O-N 3.45Å; T175-G177 PolarHBondContact O-N 2.82Å | ||
| 176 | P | 57.6 | Low | 57.7 | Low | 139 Ų | 139 | 143 Ų | 143 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | trans | -83.4 | 105.5 | 175.2 | 32.1 | -27.6 | 0 | 0 | 0 | 109 | ||||
| 177 | G | 43.9 | Very low | 59.1 | Low | 51 Ų | 51 | 141 Ų | 141 | 53% | 0.526 | 74% | 0.742 | S | S | . | * | trans | -146.5 | 134.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T175 E179 | T175-G177 PolarHBondContact O-N 2.82Å; G177-E179 PolarHBondContact O-N 3.29Å | ||
| 178 | P | 55.3 | Low | 60.6 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -79.1 | 64.5 | 176.7 | 36 | -33.6 | 0 | 0 | 0 | 108.6 | A180 | P178-A180 PolarHBondContact O-N 2.78Š| ||
| 179 | E | 56.4 | Low | 61.9 | Low | 179 Ų | 179 | 127.9 Ų | 127.9 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -87.7 | 95.6 | 160.5 | -65.7 | -165.1 | -176.4 | 0 | 0 | 105.1 | G177 K181 | G177-E179 PolarHBondContact O-N 3.29Å; E179-K181 PolarHBondContact O-N 2.84Å | ||
| 180 | A | 64.7 | Low | 63.5 | Low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -49.3 | 118.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | P178 E182 | P178-A180 PolarHBondContact O-N 2.78Å; A180-E182 PolarHBondContact O-N 2.93Å | ||
| 181 | K | 64.7 | Low | 65 | Low | 207 Ų | 207 | 123 Ų | 123 | 90% | 0.9 | 68% | 0.678 | S | S | * | * | trans | -60.3 | 96.9 | 171 | -66 | 177.8 | 177.6 | -173.3 | 0 | 105.6 | E179 D183 | E179-K181 PolarHBondContact O-N 2.84Å; K181-D183 PolarHBondContact O-N 3.13Å; K181-D183 VanDerWaalsContact O-N 3.12Å | ||
| 182 | E | 66.8 | Low | 66.4 | Low | 162 Ų | 162 | 123.9 Ų | 123.9 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | trans | -65.8 | 111.5 | 171.8 | -102.3 | 179.1 | 168.7 | 0 | 0 | 106.3 | A180 R184 | A180-E182 PolarHBondContact O-N 2.93Å; E182-R184 PolarHBondContact O-N 3.01Å | ||
| 183 | D | 71.9 | Confident | 67.9 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | trans | -64.7 | 119.3 | 170.4 | -146.2 | -23.8 | 0 | 0 | 0 | 107 | K181 D185 S188 | K181-D183 PolarHBondContact O-N 3.13Å; K181-D183 VanDerWaalsContact O-N 3.12Å; D183-D185 WeakPolarHBondContact CB-OD1 3.42Å; D183-D185 VanDerWaalsContact OD1-CG 3.23Å; D183-D185 PolarHBondContact OD1-N 3.27Å; D183-S188 WeakPolarHBondContact O-CB 3.4Å; D183-S188 PolarHBondContact O-OG 3.46Å | ||
| 184 | R | 76.8 | Confident | 69.4 | Low | 227 Ų | 227 | 111.1 Ų | 111.1 | 86% | 0.857 | 62% | 0.619 | S | S | * | * | trans | -99.8 | 31 | 177.1 | -74.2 | -169.7 | 173.9 | 165.6 | 0.1 | 110 | E182 | E182-R184 PolarHBondContact O-N 3.01Š| ||
| 185 | D | 82.9 | Confident | 70.8 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 26% | 0.257 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -74.5 | 162.6 | 167.3 | 57.2 | 5.2 | 0 | 0 | 0 | 110.8 | D183 D187 S188 | D183-D185 WeakPolarHBondContact CB-OD1 3.42Å; D183-D185 VanDerWaalsContact OD1-CG 3.23Å; D183-D185 PolarHBondContact OD1-N 3.27Å; D185-D187 VanDerWaalsContact C-N 3.29Å; D185-D187 WeakPolarHBondContact CB-OD1 3.37Å; D185-D187 PolarHBondContact O-N 2.74Å; D185-S188 PolarHBondContact O-N 3.49Å; D185-S188 VanDerWaalsContact OD1-CB 3.27Å; D185-S188 WeakPolarHBondContact OD1-CB 3.24Å; D185-S188 PolarHBondContact OD1-N 2.79Å; D185-S188 PolarHBondContact OD1-OG 2.8Å |
| 186 | L | 80.6 | Confident | 72.2 | Confident | 142 Ų | 142 | 103.4 Ų | 103.4 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.5 | -29.7 | -171.6 | -73.5 | 168.4 | 0 | 0 | 0 | 111.9 | S188 A189 V190 | L186-S188 VanDerWaalsContact C-N 3.34Å; L186-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 PolarHBondContact O-N 2.92Å; L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.82Å |
| 187 | D | 80.5 | Confident | 72.9 | Confident | 95 Ų | 95 | 103.4 Ų | 103.4 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.7 | -31.3 | 176.5 | 48.6 | -42.8 | 0 | 0 | 0 | 112.7 | D185 V190 S191 | D185-D187 VanDerWaalsContact C-N 3.29Å; D185-D187 WeakPolarHBondContact CB-OD1 3.37Å; D185-D187 PolarHBondContact O-N 2.74Å; D187-V190 PolarHBondContact O-N 2.77Å; D187-S191 VanDerWaalsContact O-CB 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.41Å; D187-S191 PolarHBondContact O-OG 3.26Å |
| 188 | S | 82.8 | Confident | 74.3 | Confident | 46 Ų | 46 | 105.2 Ų | 105.2 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.8 | -39.1 | 170.1 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | D183 D185 L186 S191 S192 | D183-S188 WeakPolarHBondContact O-CB 3.4Å; D183-S188 PolarHBondContact O-OG 3.46Å; D185-S188 PolarHBondContact O-N 3.49Å; D185-S188 VanDerWaalsContact OD1-CB 3.27Å; D185-S188 WeakPolarHBondContact OD1-CB 3.24Å; D185-S188 PolarHBondContact OD1-N 2.79Å; D185-S188 PolarHBondContact OD1-OG 2.8Å; L186-S188 VanDerWaalsContact C-N 3.34Å; S188-S191 PolarHBondContact O-N 3.08Å; S188-S192 WeakPolarHBondContact O-CB 3.5Å; S188-S192 PolarHBondContact O-N 3.21Å; S188-S192 VanDerWaalsContact O-N 3.09Å; S188-S192 PolarHBondContact O-OG 3.4Å |
| 189 | A | 78.5 | Confident | 75.2 | Confident | 45 Ų | 45 | 105 Ų | 105 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.3 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L186 S191 S192 G193 I198 | L186-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 PolarHBondContact O-N 2.92Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S192 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 2.77Å; A189-G193 PolarHBondContact O-N 2.9Å; A189-I198 HydrophobicContact CB-CD1 4.47Å |
| 190 | V | 81.9 | Confident | 76 | Confident | 46 Ų | 46 | 100.9 Ų | 100.9 | 28% | 0.279 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -39.8 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111 | L186 D187 G194 L195 I198 | L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.82Å; D187-V190 PolarHBondContact O-N 2.77Å; V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.81Å; V190-L195 HydrophobicContact CG1-CD2 3.94Å; V190-L195 HydrophobicContact CG1-CG 3.79Å; V190-L195 HydrophobicContact CG2-CD2 3.79Å; V190-L195 HydrophobicContact CG2-CG 4.5Å; V190-I198 HydrophobicContact CB-CD1 4.25Å; V190-I198 HydrophobicContact CG2-CD1 3.42Å; V190-I198 VanDerWaalsContact CG2-CD1 3.42Å |
| 191 | S | 79.8 | Confident | 76 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.8 | -29.6 | -179.3 | -62 | 0 | 0 | 0 | 0 | 113.1 | D187 S188 A189 | D187-S191 VanDerWaalsContact O-CB 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.41Å; D187-S191 PolarHBondContact O-OG 3.26Å; S188-S191 PolarHBondContact O-N 3.08Å; A189-S191 VanDerWaalsContact C-N 3.34Å |
| 192 | S | 80.1 | Confident | 76.3 | Confident | 105 Ų | 105 | 93.4 Ų | 93.4 | 73% | 0.734 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -93.1 | -37.2 | -178.6 | 53 | 0 | 0 | 0 | 0 | 114 | S188 A189 | S188-S192 WeakPolarHBondContact O-CB 3.5Å; S188-S192 PolarHBondContact O-N 3.21Å; S188-S192 VanDerWaalsContact O-N 3.09Å; S188-S192 PolarHBondContact O-OG 3.4Å; A189-S192 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 2.77Å |
| 193 | G | 77.5 | Confident | 76 | Confident | 16 Ų | 16 | 93.4 Ų | 93.4 | 17% | 0.165 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -108.4 | -10.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A189 Q197 | A189-G193 PolarHBondContact O-N 2.9Å; G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 WeakPolarHBondContact O-CG 3.38Å; G193-Q197 PolarHBondContact O-NE2 3.4Å; G193-Q197 PolarHBondContact O-OE1 3.2Å |
| 194 | G | 80.2 | Confident | 75.5 | Confident | 22 Ų | 22 | 92.1 Ų | 92.1 | 23% | 0.227 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | 75 | 155.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | V190 D196 Q197 | V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.81Å; G194-D196 WeakPolarHBondContact CA-OD1 3.39Å; G194-D196 PolarHBondContact O-N 3.42Å; G194-Q197 PolarHBondContact O-N 3Å |
| 195 | L | 79.6 | Confident | 74.7 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -29 | 176.1 | -79.2 | 170.7 | 0 | 0 | 0 | 112 | V190 I198 L199 | V190-L195 HydrophobicContact CG1-CD2 3.94Å; V190-L195 HydrophobicContact CG1-CG 3.79Å; V190-L195 HydrophobicContact CG2-CD2 3.79Å; V190-L195 HydrophobicContact CG2-CG 4.5Å; L195-I198 PolarHBondContact O-N 3.44Å; L195-L199 HydrophobicContact CB-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 3.12Å |
| 196 | D | 73.3 | Confident | 73.7 | Confident | 103 Ų | 103 | 92.8 Ų | 92.8 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -40.5 | 179.3 | 59.7 | -48.4 | 0 | 0 | 0 | 112.3 | G194 I198 L199 T200 | G194-D196 WeakPolarHBondContact CA-OD1 3.39Å; G194-D196 PolarHBondContact O-N 3.42Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 2.97Å; D196-L199 PolarHBondContact O-N 3.11Å; D196-T200 WeakPolarHBondContact O-CB 3.44Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.28Å |
| 197 | Q | 72.8 | Confident | 72.8 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.3 | -27.4 | 175.5 | -75.7 | 179.9 | 20.9 | 0 | 0 | 113.4 | G193 G194 | G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 WeakPolarHBondContact O-CG 3.38Å; G193-Q197 PolarHBondContact O-NE2 3.4Å; G193-Q197 PolarHBondContact O-OE1 3.2Å; G194-Q197 PolarHBondContact O-N 3Å |
| 198 | I | 73.7 | Confident | 72.2 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 46% | 0.456 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.5 | -35.3 | 179.1 | -62.8 | 167.9 | 0 | 0 | 0 | 110.7 | A189 V190 L195 D196 | A189-I198 HydrophobicContact CB-CD1 4.47Å; V190-I198 HydrophobicContact CB-CD1 4.25Å; V190-I198 HydrophobicContact CG2-CD1 3.42Å; V190-I198 VanDerWaalsContact CG2-CD1 3.42Å; L195-I198 PolarHBondContact O-N 3.44Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 2.97Å |
| 199 | L | 73 | Confident | 71.6 | Confident | 135 Ų | 135 | 97.2 Ų | 97.2 | 71% | 0.707 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.7 | -19.4 | -180 | -64.5 | 174.9 | 0 | 0 | 0 | 112.9 | L195 D196 P201 | L195-L199 HydrophobicContact CB-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 3.12Å; D196-L199 PolarHBondContact O-N 3.11Å; L199-P201 WeakPolarHBondContact O-CD 3.44Å |
| 200 | T | 73.4 | Confident | 71.1 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -78.8 | 117.1 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | D196 | D196-T200 WeakPolarHBondContact O-CB 3.44Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.28Å |
| 201 | P | 65.5 | Low | 70.4 | Confident | 45 Ų | 45 | 106.2 Ų | 106.2 | 29% | 0.292 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 149.6 | 176.7 | 25.7 | -32 | 0 | 0 | 0 | 110.7 | L199 V203 Q205 P207 | L199-P201 WeakPolarHBondContact O-CD 3.44Å; P201-V203 PolarHBondContact O-N 3.44Å; P201-Q205 WeakPolarHBondContact CG-O 3.37Å; P201-P207 HydrophobicContact CG-CB 4.11Å; P201-P207 HydrophobicContact CG-CG 4.02Å |
| 202 | P | 71.4 | Confident | 69.7 | Low | 92 Ų | 92 | 107.1 Ų | 107.1 | 60% | 0.597 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.3 | 179.8 | 20.5 | -30.7 | 0 | 0 | 0 | 111.1 | G204 Q205 | P202-G204 PolarHBondContact O-N 2.85Å; P202-G204 VanDerWaalsContact O-N 3.11Å; P202-Q205 PolarHBondContact O-N 3.03Å |
| 203 | V | 59 | Low | 69.3 | Low | 162 Ų | 162 | 110.9 Ų | 110.9 | 98% | 0.982 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | 117.6 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | P201 | P201-V203 PolarHBondContact O-N 3.44Š|
| 204 | G | 62.6 | Low | 68.8 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.4 | -6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | P202 | P202-G204 PolarHBondContact O-N 2.85Å; P202-G204 VanDerWaalsContact O-N 3.11Å |
| 205 | Q | 59.1 | Low | 68.7 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -109.1 | 107.7 | 170.1 | -65.7 | -173.6 | 6.3 | 0 | 0 | 109.9 | P201 P202 | P201-Q205 WeakPolarHBondContact CG-O 3.37Å; P202-Q205 PolarHBondContact O-N 3.03Å | ||
| 206 | N | 61.9 | Low | 68.9 | Low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.1 | 164.9 | -68.4 | -24 | 0 | 0 | 0 | 107.2 | S208 | N206-S208 PolarHBondContact O-N 3.39Š|
| 207 | P | 62.4 | Low | 69.7 | Low | 98 Ų | 98 | 123 Ų | 123 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 119.1 | 176.9 | 24 | -27.7 | 0 | 0 | 0 | 107 | P201 E209 | P201-P207 HydrophobicContact CG-CB 4.11Å; P201-P207 HydrophobicContact CG-CG 4.02Å; P207-E209 PolarHBondContact O-N 3.04Å |
| 208 | S | 67.2 | Low | 70.5 | Confident | 113 Ų | 113 | 117.9 Ų | 117.9 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 116.9 | 171.4 | 63.3 | 0 | 0 | 0 | 0 | 106.5 | N206 | N206-S208 PolarHBondContact O-N 3.39Š|
| 209 | E | 70.1 | Confident | 71.5 | Confident | 165 Ų | 165 | 117 Ų | 117 | 77% | 0.771 | 65% | 0.654 | S | S | * | * | trans | -45.3 | 134.7 | 177.3 | -169.7 | 177.7 | 179.4 | 0 | 0 | 109.8 | P207 Q211 | P207-E209 PolarHBondContact O-N 3.04Å; E209-Q211 PolarHBondContact O-N 2.98Å | ||
| 210 | P | 67.9 | Low | 72.5 | Confident | 122 Ų | 122 | 114.5 Ų | 114.5 | 79% | 0.792 | 64% | 0.644 | S | S | * | * | trans | -59.4 | 105.9 | -179.8 | 23.7 | -32.9 | 0 | 0 | 0 | 109.3 | S212 | P210-S212 PolarHBondContact O-N 3.37Å; P210-S212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | Q | 67.6 | Low | 73.6 | Confident | 158 Ų | 158 | 113.8 Ų | 113.8 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -68.3 | 113.1 | 179.5 | -69.4 | -174.3 | -22.5 | 0 | 0 | 109.2 | E209 R213 | E209-Q211 PolarHBondContact O-N 2.98Å; Q211-R213 PolarHBondContact O-N 3.28Å | ||
| 212 | S | 66.2 | Low | 75 | Confident | 122 Ų | 122 | 114.8 Ų | 114.8 | 85% | 0.853 | 65% | 0.645 | S | S | * | * | trans | -64.6 | 101.9 | 170.6 | 62 | 0 | 0 | 0 | 0 | 109.2 | P210 S214 | P210-S212 PolarHBondContact O-N 3.37Å; P210-S212 VanDerWaalsContact O-N 3.12Å; S212-S214 PolarHBondContact O-N 3.09Å | ||
| 213 | R | 70.7 | Confident | 76.1 | Confident | 185 Ų | 185 | 117 Ų | 117 | 70% | 0.698 | 65% | 0.645 | S | S | * | * | trans | -83.8 | 110.4 | 174.8 | -65.7 | -177.2 | 175.6 | -173.2 | -2.7 | 109.2 | Q211 F215 | Q211-R213 PolarHBondContact O-N 3.28Å; R213-F215 HydrophobicContact CB-CD2 4.12Å; R213-F215 HydrophobicContact CB-CE1 4.41Å; R213-F215 HydrophobicContact CB-CE2 3.38Å; R213-F215 HydrophobicContact CB-CZ 3.57Å; R213-F215 HydrophobicContact CG-CE2 4.44Å; R213-F215 HydrophobicContact CG-CZ 4.27Å; R213-F215 WeakPolarHBondContact O-CD2 3.42Å; R213-F215 PolarHBondContact O-N 2.96Å | ||
| 214 | S | 67.5 | Low | 77.9 | Confident | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | trans | -82.2 | 108.3 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | S212 | S212-S214 PolarHBondContact O-N 3.09Š| ||
| 215 | F | 78.1 | Confident | 79.4 | Confident | 172 Ų | 172 | 113.1 Ų | 113.1 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | trans | -98.9 | 15.4 | 173.4 | -59 | -77.5 | 0 | 0 | 0 | 112.4 | R213 Q217 | R213-F215 HydrophobicContact CB-CD2 4.12Å; R213-F215 HydrophobicContact CB-CE1 4.41Å; R213-F215 HydrophobicContact CB-CE2 3.38Å; R213-F215 HydrophobicContact CB-CZ 3.57Å; R213-F215 HydrophobicContact CG-CE2 4.44Å; R213-F215 HydrophobicContact CG-CZ 4.27Å; R213-F215 WeakPolarHBondContact O-CD2 3.42Å; R213-F215 PolarHBondContact O-N 2.96Å; F215-Q217 PolarHBondContact O-N 3.45Å | ||
| 216 | F | 84 | Confident | 81.1 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | trans | -65.8 | 132.5 | -176.8 | 178.6 | -102.1 | 0 | 0 | 0 | 110.8 | D239 G240 | F216-D239 CarbonylContact O-C 3.53Å; F216-G240 PolarHBondContact O-N 2.87Å | ||
| 217 | Q | 89.1 | Confident | 82.5 | Confident | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134.2 | 123.7 | 170.3 | -174.1 | 176.2 | 51 | 0 | 0 | 108.2 | F215 V237 R238 | F215-Q217 PolarHBondContact O-N 3.45Å; Q217-V237 HydrophobicContact CG-CG1 3.66Å; Q217-R238 CarbonylContact C-O 3.5Å; Q217-R238 WeakPolarHBondContact CA-O 3.39Å |
| 218 | S | 90.6 | Very high | 83.6 | Confident | 32 Ų | 32 | 108.7 Ų | 108.7 | 22% | 0.224 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.1 | 173.2 | 56.2 | 0 | 0 | 0 | 0 | 110.1 | V237 R238 | S218-V237 CarbonylContact O-C 3.5Å; S218-V237 WeakPolarHBondContact O-CA 3.24Å; S218-R238 PolarHBondContact N-O 2.91Å; S218-R238 PolarHBondContact O-N 3.39Å; S218-R238 WeakPolarHBondContact OG-CB 3.32Å; S218-R238 PolarHBondContact OG-O 3.18Å |
| 219 | V | 94.9 | Very high | 84.6 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.3 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | V221 R235 T236 V237 | V219-V221 HydrophobicContact CG1-CG2 4.11Å; V219-R235 HydrophobicContact CG1-CG 4.25Å; V219-T236 CarbonylContact C-O 3.56Å; V219-T236 WeakPolarHBondContact CA-O 3.17Å; V219-V237 HydrophobicContact CG1-CG2 4.32Å; V219-V237 HydrophobicContact CG2-CG1 4.42Å; V219-V237 HydrophobicContact CG2-CG2 4.29Å |
| 220 | V | 93.8 | Very high | 85.7 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.5 | 174.8 | 180 | 0 | 0 | 0 | 0 | 108.1 | R235 T236 | V220-R235 CarbonylContact O-C 3.46Å; V220-R235 WeakPolarHBondContact O-CA 3.37Å; V220-T236 PolarHBondContact N-O 3.09Å; V220-T236 PolarHBondContact O-N 2.91Å |
| 221 | V | 95.6 | Very high | 86.9 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.2 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | V219 E233 R234 R235 | V219-V221 HydrophobicContact CG1-CG2 4.11Å; V221-E233 HydrophobicContact CG1-CG 3.67Å; V221-R234 CarbonylContact C-O 3.54Å; V221-R234 WeakPolarHBondContact CA-O 3.18Å; V221-R235 HydrophobicContact CG2-CB 4.5Å; V221-R235 HydrophobicContact CG2-CG 4.25Å |
| 222 | T | 95.2 | Very high | 88.2 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.2 | 176.6 | -49.7 | 0 | 0 | 0 | 0 | 108.8 | V224 E233 R234 | T222-V224 HydrophobicContact CG2-CG2 4.28Å; T222-E233 CarbonylContact O-C 3.55Å; T222-E233 WeakPolarHBondContact O-CA 3.46Å; T222-R234 PolarHBondContact N-O 3.06Å; T222-R234 PolarHBondContact O-N 2.6Å |
| 223 | K | 95.6 | Very high | 89.6 | Confident | 137 Ų | 137 | 84.4 Ų | 84.4 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.1 | 178.4 | -171 | 178.8 | -176.5 | -179.7 | 0 | 109.4 | V231 E232 | K223-V231 HydrophobicContact CD-CG1 4.13Å; K223-V231 HydrophobicContact CG-CG1 3.67Å; K223-E232 CarbonylContact C-O 3.54Å; K223-E232 WeakPolarHBondContact CA-O 3.43Å |
| 224 | V | 96 | Very high | 90.8 | Very high | 59 Ų | 59 | 80.9 Ų | 80.9 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.4 | 178.6 | -178 | 0 | 0 | 0 | 0 | 108.2 | T222 V231 E232 | T222-V224 HydrophobicContact CG2-CG2 4.28Å; V224-V231 CarbonylContact O-C 3.52Å; V224-V231 WeakPolarHBondContact O-CA 3.41Å; V224-E232 HydrophobicContact CB-CB 4.47Å; V224-E232 PolarHBondContact N-O 3.07Å; V224-E232 PolarHBondContact O-N 3.11Å |
| 225 | V | 94.8 | Very high | 92.2 | Very high | 101 Ų | 101 | 83.6 Ų | 83.6 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.3 | 170.6 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | V231 | V225-V231 HydrophobicContact CG1-CG2 4.49Å; V225-V231 HydrophobicContact CG2-CG2 4.27Å |
| 226 | K | 93.3 | Very high | 93 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 23% | 0.226 | 41% | 0.41 | C | S | . | . | trans | -93.5 | 158.1 | 179.5 | -71.2 | -168.3 | -154 | 166.8 | 0 | 111 | D228 G229 T230 E232 | K226-D228 WeakPolarHBondContact CB-OD1 3.49Å; K226-D228 PolarHBondContact O-N 2.87Å; K226-D228 VanDerWaalsContact O-N 3.15Å; K226-G229 PolarHBondContact O-N 3.48Å; K226-T230 WeakPolarHBondContact CD-OG1 3.34Å; K226-T230 PolarHBondContact N-O 3.42Å; K226-E232 VanDerWaalsContact CE-CD 3.49Å; K226-E232 WeakPolarHBondContact CE-OE1 3.47Å; K226-E232 IonicContact NZ-OE1 3.66Å; K226-E232 PolarHBondContact NZ-OE1 3.47Å | ||
| 227 | P | 91.8 | Very high | 93.6 | Very high | 145 Ų | 145 | 71.6 Ų | 71.6 | 94% | 0.942 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.5 | 176.5 | 26.6 | -35.9 | 0 | 0 | 0 | 113.6 | G229 | P227-G229 PolarHBondContact O-N 3.04Š|
| 228 | D | 86.9 | Confident | 93.8 | Very high | 97 Ų | 97 | 72.1 Ų | 72.1 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.6 | 174.6 | 64.6 | 1.7 | 0 | 0 | 0 | 113.4 | K226 T230 | K226-D228 WeakPolarHBondContact CB-OD1 3.49Å; K226-D228 PolarHBondContact O-N 2.87Å; K226-D228 VanDerWaalsContact O-N 3.15Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 3.17Å; D228-T230 VanDerWaalsContact OD1-CB 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.34Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T230 PolarHBondContact OD1-N 3.34Å; D228-T230 PolarHBondContact OD1-OG1 3.21Å; D228-T230 PolarHBondContact OD2-OG1 2.89Å |
| 229 | G | 87.1 | Confident | 93.9 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 80.2 | -4.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | K226 P227 G252 | K226-G229 PolarHBondContact O-N 3.48Å; P227-G229 PolarHBondContact O-N 3.04Å; G229-G252 CarbonylContact C-O 3.54Å |
| 230 | T | 92.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.08 | 38% | 0.383 | C | S | . | . | trans | -77.1 | 151.8 | 175 | 71 | 0 | 0 | 0 | 0 | 111.1 | K226 D228 S251 G252 | K226-T230 WeakPolarHBondContact CD-OG1 3.34Å; K226-T230 PolarHBondContact N-O 3.42Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 3.17Å; D228-T230 VanDerWaalsContact OD1-CB 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.34Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T230 PolarHBondContact OD1-N 3.34Å; D228-T230 PolarHBondContact OD1-OG1 3.21Å; D228-T230 PolarHBondContact OD2-OG1 2.89Å; T230-S251 CarbonylContact C-O 3.52Å; T230-S251 WeakPolarHBondContact CA-O 3.36Å; T230-G252 WeakPolarHBondContact CA-O 3.27Å; T230-G252 WeakPolarHBondContact CG2-O 3.47Å | ||
| 231 | V | 93.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.2 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | K223 V224 V225 R250 S251 | K223-V231 HydrophobicContact CD-CG1 4.13Å; K223-V231 HydrophobicContact CG-CG1 3.67Å; V224-V231 CarbonylContact O-C 3.52Å; V224-V231 WeakPolarHBondContact O-CA 3.41Å; V225-V231 HydrophobicContact CG1-CG2 4.49Å; V225-V231 HydrophobicContact CG2-CG2 4.27Å; V231-R250 CarbonylContact O-C 3.52Å; V231-R250 VanDerWaalsContact O-CA 3.24Å; V231-R250 WeakPolarHBondContact O-CA 3.3Å; V231-S251 PolarHBondContact N-O 2.98Å; V231-S251 PolarHBondContact O-N 3.17Å |
| 232 | E | 94.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 72.7 Ų | 72.7 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.8 | 168.6 | -69.1 | -174.9 | -175.1 | 0 | 0 | 109.1 | K223 V224 K226 R234 T249 R250 | K223-E232 CarbonylContact C-O 3.54Å; K223-E232 WeakPolarHBondContact CA-O 3.43Å; V224-E232 HydrophobicContact CB-CB 4.47Å; V224-E232 PolarHBondContact N-O 3.07Å; V224-E232 PolarHBondContact O-N 3.11Å; K226-E232 VanDerWaalsContact CE-CD 3.49Å; K226-E232 WeakPolarHBondContact CE-OE1 3.47Å; K226-E232 IonicContact NZ-OE1 3.66Å; K226-E232 PolarHBondContact NZ-OE1 3.47Å; E232-R234 IonicContact OE2-CZ 2.66Å; E232-R234 IonicContact OE2-NH2 3.87Å; E232-R234 PolarHBondContact OE2-NH2 3.42Å; E232-T249 CarbonylContact C-O 3.51Å; E232-T249 WeakPolarHBondContact CA-O 3.32Å; E232-R250 HydrophobicContact CG-CG 4.15Å; E232-R250 IonicContact OE1-CZ 3.02Å; E232-R250 IonicContact OE1-NE 3.52Å; E232-R250 IonicContact OE1-NH1 3.58Å; E232-R250 IonicContact OE1-NH2 2.67Å; E232-R250 PolarHBondContact OE1-NH2 3.41Å |
| 233 | E | 96 | Very high | 91.7 | Very high | 70 Ų | 70 | 74.5 Ų | 74.5 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125 | 173.1 | 178.2 | -176.2 | 122.2 | 0 | 0 | 109.6 | V221 T222 V248 T249 | V221-E233 HydrophobicContact CG1-CG 3.67Å; T222-E233 CarbonylContact O-C 3.55Å; T222-E233 WeakPolarHBondContact O-CA 3.46Å; E233-V248 CarbonylContact O-C 3.55Å; E233-V248 VanDerWaalsContact O-CA 3.31Å; E233-V248 WeakPolarHBondContact O-CA 3.5Å; E233-T249 WeakPolarHBondContact CB-OG1 3.37Å; E233-T249 PolarHBondContact N-O 3.42Å; E233-T249 PolarHBondContact O-N 3.4Å; E233-T249 PolarHBondContact O-OG1 3.38Å |
| 234 | R | 96.1 | Very high | 91.6 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 42% | 0.419 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112.5 | 176.5 | -55.8 | -175 | 178.4 | 143 | 7.4 | 108.5 | V221 T222 E232 T247 V248 | V221-R234 CarbonylContact C-O 3.54Å; V221-R234 WeakPolarHBondContact CA-O 3.18Å; T222-R234 PolarHBondContact N-O 3.06Å; T222-R234 PolarHBondContact O-N 2.6Å; E232-R234 IonicContact OE2-CZ 2.66Å; E232-R234 IonicContact OE2-NH2 3.87Å; E232-R234 PolarHBondContact OE2-NH2 3.42Å; R234-T247 CarbonylContact C-O 3.5Å; R234-T247 WeakPolarHBondContact CA-O 3.47Å; R234-V248 HydrophobicContact CB-CG2 4.43Å; R234-V248 HydrophobicContact CG-CG1 4.09Å; R234-V248 HydrophobicContact CG-CG2 3.95Å |
| 235 | R | 95.6 | Very high | 91.5 | Very high | 125 Ų | 125 | 78.2 Ų | 78.2 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115.8 | 177.1 | 178.5 | 178.1 | 179.9 | -167.3 | 0.7 | 110 | V219 V220 V221 V237 T246 T247 | V219-R235 HydrophobicContact CG1-CG 4.25Å; V220-R235 CarbonylContact O-C 3.46Å; V220-R235 WeakPolarHBondContact O-CA 3.37Å; V221-R235 HydrophobicContact CG2-CB 4.5Å; V221-R235 HydrophobicContact CG2-CG 4.25Å; R235-V237 HydrophobicContact CG-CG2 4.21Å; R235-T246 CarbonylContact O-C 3.56Å; R235-T246 WeakPolarHBondContact O-CA 3.3Å; R235-T247 PolarHBondContact N-O 3.43Å; R235-T247 PolarHBondContact O-N 2.66Å |
| 236 | T | 96 | Very high | 91.5 | Very high | 28 Ų | 28 | 77.1 Ų | 77.1 | 17% | 0.172 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.1 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | V219 V220 Q244 K245 | V219-T236 CarbonylContact C-O 3.56Å; V219-T236 WeakPolarHBondContact CA-O 3.17Å; V220-T236 PolarHBondContact N-O 3.09Å; V220-T236 PolarHBondContact O-N 2.91Å; T236-Q244 HydrophobicContact CG2-CG 3.48Å; T236-Q244 VanDerWaalsContact CG2-CG 3.48Å; T236-K245 CarbonylContact C-O 3.52Å; T236-K245 WeakPolarHBondContact CA-O 3.36Å |
| 237 | V | 96.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.7 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | Q217 S218 V219 R235 Q244 K245 | Q217-V237 HydrophobicContact CG-CG1 3.66Å; S218-V237 CarbonylContact O-C 3.5Å; S218-V237 WeakPolarHBondContact O-CA 3.24Å; V219-V237 HydrophobicContact CG1-CG2 4.32Å; V219-V237 HydrophobicContact CG2-CG1 4.42Å; V219-V237 HydrophobicContact CG2-CG2 4.29Å; R235-V237 HydrophobicContact CG-CG2 4.21Å; V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.15Å; V237-K245 PolarHBondContact N-O 3.45Å; V237-K245 PolarHBondContact O-N 3.3Å |
| 238 | R | 94.4 | Very high | 91.7 | Very high | 135 Ų | 135 | 74.9 Ų | 74.9 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126 | 178 | 173.3 | -175.4 | -171.6 | -169.1 | 3.9 | 110.8 | Q217 S218 N243 Q244 | Q217-R238 CarbonylContact C-O 3.5Å; Q217-R238 WeakPolarHBondContact CA-O 3.39Å; S218-R238 PolarHBondContact N-O 2.91Å; S218-R238 PolarHBondContact O-N 3.39Å; S218-R238 WeakPolarHBondContact OG-CB 3.32Å; S218-R238 PolarHBondContact OG-O 3.18Å; R238-N243 CarbonylContact C-O 3.57Å; R238-N243 VanDerWaalsContact CA-O 3.24Å; R238-N243 WeakPolarHBondContact CA-O 3.22Å; R238-Q244 HydrophobicContact CB-CB 4.43Å; R238-Q244 HydrophobicContact CB-CG 4.46Å |
| 239 | D | 91.6 | Very high | 91.9 | Very high | 43 Ų | 43 | 73.6 Ų | 73.6 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 170.5 | 179 | 72.5 | 13.7 | 0 | 0 | 0 | 112.8 | F216 H241 G242 N243 | F216-D239 CarbonylContact O-C 3.53Å; D239-H241 PolarHBondContact O-N 3.27Å; D239-H241 WeakPolarHBondContact OD1-CA 3.2Å; D239-H241 PolarHBondContact OD1-N 2.7Å; D239-G242 PolarHBondContact O-N 2.83Å; D239-G242 VanDerWaalsContact O-N 3.13Å; D239-G242 PolarHBondContact OD1-N 3.43Å; D239-N243 PolarHBondContact N-O 3.24Å; D239-N243 WeakPolarHBondContact OD1-CA 3.33Å; D239-N243 WeakPolarHBondContact OD1-CB 3.17Å; D239-N243 PolarHBondContact OD1-N 3.45Å; D239-N243 PolarHBondContact OD1-ND2 3.46Å; D239-N243 WeakPolarHBondContact OD2-CB 3.2Å; D239-N243 PolarHBondContact OD2-ND2 2.8Å |
| 240 | G | 81.1 | Confident | 92.1 | Very high | 35 Ų | 35 | 79.3 Ų | 79.3 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F216 | F216-G240 PolarHBondContact O-N 2.87Š|
| 241 | H | 83.4 | Confident | 91.6 | Very high | 156 Ų | 156 | 82.2 Ų | 82.2 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.5 | 173.7 | -57.4 | 94.9 | 0 | 0 | 0 | 112.1 | D239 | D239-H241 PolarHBondContact O-N 3.27Å; D239-H241 WeakPolarHBondContact OD1-CA 3.2Å; D239-H241 PolarHBondContact OD1-N 2.7Å |
| 242 | G | 81.5 | Confident | 90.6 | Very high | 42 Ų | 42 | 83.5 Ų | 83.5 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 88.5 | 2.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D239 | D239-G242 PolarHBondContact O-N 2.83Å; D239-G242 VanDerWaalsContact O-N 3.13Å; D239-G242 PolarHBondContact OD1-N 3.43Å |
| 243 | N | 87.8 | Confident | 89 | Confident | 104 Ų | 104 | 85 Ų | 85 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | trans | -72.4 | 136.7 | 173.8 | -52.1 | -59.9 | 0 | 0 | 0 | 110.1 | R238 D239 | R238-N243 CarbonylContact C-O 3.57Å; R238-N243 VanDerWaalsContact CA-O 3.24Å; R238-N243 WeakPolarHBondContact CA-O 3.22Å; D239-N243 PolarHBondContact N-O 3.24Å; D239-N243 WeakPolarHBondContact OD1-CA 3.33Å; D239-N243 WeakPolarHBondContact OD1-CB 3.17Å; D239-N243 PolarHBondContact OD1-N 3.45Å; D239-N243 PolarHBondContact OD1-ND2 3.46Å; D239-N243 WeakPolarHBondContact OD2-CB 3.2Å; D239-N243 PolarHBondContact OD2-ND2 2.8Å | ||
| 244 | Q | 93.1 | Very high | 86.7 | Confident | 124 Ų | 124 | 87.5 Ų | 87.5 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.4 | -179.3 | -177.6 | 178.2 | -31.3 | 0 | 0 | 111 | T236 V237 R238 | T236-Q244 HydrophobicContact CG2-CG 3.48Å; T236-Q244 VanDerWaalsContact CG2-CG 3.48Å; V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.15Å; R238-Q244 HydrophobicContact CB-CB 4.43Å; R238-Q244 HydrophobicContact CB-CG 4.46Å |
| 245 | K | 94.4 | Very high | 84.5 | Confident | 149 Ų | 149 | 90.8 Ų | 90.8 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.3 | 174.2 | -176 | 175.4 | -177.1 | 174.8 | 0 | 110.6 | T236 V237 | T236-K245 CarbonylContact C-O 3.52Å; T236-K245 WeakPolarHBondContact CA-O 3.36Å; V237-K245 PolarHBondContact N-O 3.45Å; V237-K245 PolarHBondContact O-N 3.3Å |
| 246 | T | 95.1 | Very high | 82 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | 176.4 | -53 | 0 | 0 | 0 | 0 | 110.6 | R235 | R235-T246 CarbonylContact O-C 3.56Å; R235-T246 WeakPolarHBondContact O-CA 3.3Å |
| 247 | T | 95.1 | Very high | 79.7 | Confident | 65 Ų | 65 | 102 Ų | 102 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.3 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | R234 R235 T249 | R234-T247 CarbonylContact C-O 3.5Å; R234-T247 WeakPolarHBondContact CA-O 3.47Å; R235-T247 PolarHBondContact N-O 3.43Å; R235-T247 PolarHBondContact O-N 2.66Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å |
| 248 | V | 93.4 | Very high | 77 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.6 | 176 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | E233 R234 | E233-V248 CarbonylContact O-C 3.55Å; E233-V248 VanDerWaalsContact O-CA 3.31Å; E233-V248 WeakPolarHBondContact O-CA 3.5Å; R234-V248 HydrophobicContact CB-CG2 4.43Å; R234-V248 HydrophobicContact CG-CG1 4.09Å; R234-V248 HydrophobicContact CG-CG2 3.95Å |
| 249 | T | 92.2 | Very high | 74.1 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.7 | 173.8 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | E232 E233 T247 | E232-T249 CarbonylContact C-O 3.51Å; E232-T249 WeakPolarHBondContact CA-O 3.32Å; E233-T249 WeakPolarHBondContact CB-OG1 3.37Å; E233-T249 PolarHBondContact N-O 3.42Å; E233-T249 PolarHBondContact O-N 3.4Å; E233-T249 PolarHBondContact O-OG1 3.38Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å |
| 250 | R | 90.4 | Very high | 72.4 | Confident | 167 Ų | 167 | 108.6 Ų | 108.6 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.1 | 176.7 | -170.9 | -174.8 | -65.3 | -139.4 | -1.5 | 109 | V231 E232 | V231-R250 CarbonylContact O-C 3.52Å; V231-R250 VanDerWaalsContact O-CA 3.24Å; V231-R250 WeakPolarHBondContact O-CA 3.3Å; E232-R250 HydrophobicContact CG-CG 4.15Å; E232-R250 IonicContact OE1-CZ 3.02Å; E232-R250 IonicContact OE1-NE 3.52Å; E232-R250 IonicContact OE1-NH1 3.58Å; E232-R250 IonicContact OE1-NH2 2.67Å; E232-R250 PolarHBondContact OE1-NH2 3.41Å |
| 251 | S | 82.9 | Confident | 70.3 | Confident | 74 Ų | 74 | 113.3 Ų | 113.3 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.3 | 179 | 55 | 0 | 0 | 0 | 0 | 111.4 | T230 V231 | T230-S251 CarbonylContact C-O 3.52Å; T230-S251 WeakPolarHBondContact CA-O 3.36Å; V231-S251 PolarHBondContact N-O 2.98Å; V231-S251 PolarHBondContact O-N 3.17Å |
| 252 | G | 70.9 | Confident | 68.1 | Low | 50 Ų | 50 | 117.6 Ų | 117.6 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | trans | 90.6 | 34.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | G229 T230 | G229-G252 CarbonylContact C-O 3.54Å; T230-G252 WeakPolarHBondContact CA-O 3.27Å; T230-G252 WeakPolarHBondContact CG2-O 3.47Å | ||
| 253 | G | 61.2 | Low | 66.1 | Low | 49 Ų | 49 | 123.5 Ų | 123.5 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | trans | -97.5 | 157.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E255 | G253-E255 PolarHBondContact O-N 3.46Š| ||
| 254 | P | 49.1 | Very low | 63.5 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | trans | -56.7 | 130.3 | 170.8 | 24.9 | -32.2 | 0 | 0 | 0 | 108.8 | R256 | P254-R256 PolarHBondContact O-N 3.39Š| ||
| 255 | E | 48.4 | Very low | 60.6 | Low | 181 Ų | 181 | 123 Ų | 123 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | trans | -49.4 | 93.7 | 179.8 | -172.1 | -179.4 | 178.5 | 0 | 0 | 110.6 | G253 | G253-E255 PolarHBondContact O-N 3.46Š| ||
| 256 | R | 43.3 | Very low | 57.9 | Low | 228 Ų | 228 | 122.2 Ų | 122.2 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -95.4 | 104.8 | 158.5 | -84.2 | -170.4 | 160.2 | -165.3 | -5.2 | 106.1 | P254 D258 | P254-R256 PolarHBondContact O-N 3.39Å; R256-D258 VanDerWaalsContact C-N 3.3Å; R256-D258 PolarHBondContact O-N 2.94Å | ||
| 257 | L | 48.5 | Very low | 55.1 | Low | 161 Ų | 161 | 124.7 Ų | 124.7 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -40.3 | 99.7 | 149.9 | -74.4 | 153.6 | 0 | 0 | 0 | 108.3 | ||||
| 258 | D | 39.8 | Very low | 52.3 | Low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -131.5 | 111 | 154.9 | -118.7 | -18.4 | 0 | 0 | 0 | 107.3 | R256 | R256-D258 VanDerWaalsContact C-N 3.3Å; R256-D258 PolarHBondContact O-N 2.94Å | ||
| 259 | G | 33.6 | Very low | 49.9 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | -67.7 | -173.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D261 | G259-D261 PolarHBondContact O-N 3.28Š| ||
| 260 | P | 54.2 | Low | 47.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | -76 | 126.6 | -159.8 | 32.5 | -32.5 | 0 | 0 | 0 | 111 | ||||
| 261 | D | 38.4 | Very low | 44.6 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 173.6 | 116.3 | 130.5 | -96.2 | -26.3 | 0 | 0 | 0 | 111.4 | G259 | G259-D261 PolarHBondContact O-N 3.28Š| ||
| 262 | R | 37.4 | Very low | 42.7 | Very low | 246 Ų | 246 | 132.6 Ų | 132.6 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | -167.6 | 88.7 | 125.7 | -102.2 | 168.7 | -174.5 | -154.1 | 0.3 | 109.6 | |||||
| 263 | Q | 39.5 | Very low | 41.6 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 134.2 | 160 | -60.2 | -179.3 | 2.3 | 0 | 0 | 110 | ||||
| 264 | T | 33.4 | Very low | 40.9 | Very low | 149 Ų | 149 | 146 Ų | 146 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -153.6 | 105 | 147.5 | -36.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 265 | G | 30.7 | Very low | 40.5 | Very low | 68 Ų | 68 | 150.2 Ų | 150.2 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 124.5 | 140.8 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 266 | P | 39 | Very low | 40.5 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 142.8 | -134.3 | 30.7 | -34.7 | 0 | 0 | 0 | 115.2 | L268 | P266-L268 PolarHBondContact O-N 2.88Š|
| 267 | V | 35.8 | Very low | 40.3 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.5 | 172.4 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 268 | L | 36.5 | Very low | 40.2 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 135.7 | 151.8 | -73.7 | 170.4 | 0 | 0 | 0 | 107.5 | P266 | P266-L268 PolarHBondContact O-N 2.88Š|
| 269 | P | 41.6 | Very low | 40.7 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 124.3 | -179.3 | 33.2 | -29.1 | 0 | 0 | 0 | 109.4 | ||
| 270 | G | 37.8 | Very low | 41.3 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | 156.8 | 109.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 271 | D | 33.9 | Very low | 41.2 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 83.2 | 51.1 | 162 | -52.6 | -18.5 | 0 | 0 | 0 | 117.8 | N273 | D271-N273 PolarHBondContact O-N 3.23Š| ||
| 272 | S | 43 | Very low | 42 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -64.1 | 101.9 | 145.4 | 5.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 273 | N | 49 | Very low | 42.7 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 151.3 | 96.6 | 136.9 | -77.6 | -8.6 | 0 | 0 | 0 | 111 | D271 | D271-N273 PolarHBondContact O-N 3.23Š| ||
| 274 | R | 45.5 | Very low | 43.6 | Very low | 232 Ų | 232 | 138.6 Ų | 138.6 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -158 | 19.2 | 160.1 | -121.7 | -171.1 | -144.2 | -153.2 | 8.3 | 117.2 | ||
| 275 | F | 41.3 | Very low | 44.6 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -139.3 | 25.4 | 178.4 | -70 | -71.3 | 0 | 0 | 0 | 114.3 | ||
| 276 | S | 47.8 | Very low | 45.8 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -128.6 | 69.9 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 277 | D | 40.2 | Very low | 46.7 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | trans | -168.6 | 115.8 | 134.2 | -142.6 | -29.4 | 0 | 0 | 0 | 110 | R279 D280 | D277-R279 PolarHBondContact O-N 3.12Å; D277-R279 WeakPolarHBondContact OD1-CB 3.27Å; D277-R279 PolarHBondContact OD1-N 2.78Å; D277-D280 HydrophobicContact CB-CB 4.41Å | ||
| 278 | L | 45.8 | Very low | 47.6 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 98% | 0.984 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 16 | 168.9 | -88 | 162.5 | 0 | 0 | 0 | 111.1 | ||
| 279 | R | 51 | Low | 49 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 10.8 | 177.4 | -57.9 | -174.6 | 171.5 | -163.3 | -1.8 | 113.8 | D277 D281 | D277-R279 PolarHBondContact O-N 3.12Å; D277-R279 WeakPolarHBondContact OD1-CB 3.27Å; D277-R279 PolarHBondContact OD1-N 2.78Å; R279-D281 PolarHBondContact O-N 3.05Å |
| 280 | D | 44.8 | Very low | 49.4 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | trans | -77.3 | 106 | 171.8 | -77.2 | -20 | 0 | 0 | 0 | 109.5 | D277 D282 S283 | D277-D280 HydrophobicContact CB-CB 4.41Å; D280-D282 PolarHBondContact O-N 3.01Å; D280-S283 WeakPolarHBondContact O-CB 3.48Å; D280-S283 PolarHBondContact O-N 3.35Å | ||
| 281 | D | 53.6 | Low | 50.2 | Low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -5 | 173.1 | -73.9 | -38.3 | 0 | 0 | 0 | 113.3 | R279 | R279-D281 PolarHBondContact O-N 3.05Š|
| 282 | D | 54.1 | Low | 51.1 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1 | 174.6 | -68.1 | -35.4 | 0 | 0 | 0 | 113.8 | D280 L284 | D280-D282 PolarHBondContact O-N 3.01Å; D282-L284 PolarHBondContact O-N 3.17Å |
| 283 | S | 53.1 | Low | 51.3 | Low | 62 Ų | 62 | 149.6 Ų | 149.6 | 43% | 0.434 | 74% | 0.739 | S | S | . | * | trans | -69.6 | 130.8 | 178.8 | -160.8 | 0 | 0 | 0 | 0 | 111.9 | D280 F285 S286 | D280-S283 WeakPolarHBondContact O-CB 3.48Å; D280-S283 PolarHBondContact O-N 3.35Å; S283-F285 PolarHBondContact O-N 3.44Å; S283-S286 PolarHBondContact O-N 3.38Å | ||
| 284 | L | 57.7 | Low | 51.4 | Low | 138 Ų | 138 | 149.6 Ų | 149.6 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -51.3 | -26.3 | 178.2 | -75.9 | 165.5 | 0 | 0 | 0 | 113.3 | D282 R287 F288 | D282-L284 PolarHBondContact O-N 3.17Å; L284-R287 PolarHBondContact O-N 3.04Å; L284-F288 PolarHBondContact O-N 3.47Å |
| 285 | F | 53.7 | Low | 51.8 | Low | 151 Ų | 151 | 145.3 Ų | 145.3 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -64.1 | -44.1 | 177 | -118.9 | -92.2 | 0 | 0 | 0 | 112.7 | S283 R287 F288 F289 | S283-F285 PolarHBondContact O-N 3.44Å; F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.42Å; F285-F288 PolarHBondContact O-N 2.89Å; F285-F289 AromaticContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CE2 4.2Å; F285-F289 HydrophobicContact CE1-CD2 4.01Å; F285-F289 HydrophobicContact CE1-CE2 4.03Å; F285-F289 HydrophobicContact CZ-CE2 4.49Å; F285-F289 WeakPolarHBondContact O-CD2 3.45Å; F285-F289 PolarHBondContact O-N 3.32Å; F285-F289 VanDerWaalsContact O-N 3.09Å |
| 286 | S | 57.6 | Low | 52.3 | Low | 53 Ų | 53 | 141.7 Ų | 141.7 | 37% | 0.371 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -67.7 | -29.7 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 112 | S283 G290 | S283-S286 PolarHBondContact O-N 3.38Å; S286-G290 PolarHBondContact O-N 3.21Å |
| 287 | R | 57.3 | Low | 52.6 | Low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -70.4 | -30.2 | 177.4 | -126.6 | 173.4 | 167.9 | 158.5 | -3.5 | 113.5 | L284 F285 | L284-R287 PolarHBondContact O-N 3.04Å; F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.42Å |
| 288 | F | 54.9 | Low | 53.4 | Low | 174 Ų | 174 | 146.1 Ų | 146.1 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -93.3 | -35.1 | -177.7 | -111.2 | -86 | 0 | 0 | 0 | 113.3 | L284 F285 | L284-F288 PolarHBondContact O-N 3.47Å; F285-F288 PolarHBondContact O-N 2.89Å |
| 289 | F | 65.6 | Low | 53.9 | Low | 139 Ų | 139 | 143.3 Ų | 143.3 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -107.4 | -11.1 | -169.9 | -66.2 | -74.2 | 0 | 0 | 0 | 114.3 | F285 | F285-F289 AromaticContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CE2 4.2Å; F285-F289 HydrophobicContact CE1-CD2 4.01Å; F285-F289 HydrophobicContact CE1-CE2 4.03Å; F285-F289 HydrophobicContact CZ-CE2 4.49Å; F285-F289 WeakPolarHBondContact O-CD2 3.45Å; F285-F289 PolarHBondContact O-N 3.32Å; F285-F289 VanDerWaalsContact O-N 3.09Å |
| 290 | G | 49.6 | Very low | 54.1 | Low | 47 Ų | 47 | 138.2 Ų | 138.2 | 49% | 0.485 | 70% | 0.7 | S | S | . | * | trans | 63.5 | 112 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S286 F292 | S286-G290 PolarHBondContact O-N 3.21Å; G290-F292 PolarHBondContact O-N 3.35Å; G290-F292 VanDerWaalsContact O-N 3.11Å | ||
| 291 | G | 54.4 | Low | 54.8 | Low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | trans | -48.1 | 123.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K293 | G291-K293 PolarHBondContact O-N 3.39Š| ||
| 292 | F | 54 | Low | 54.9 | Low | 208 Ų | 208 | 141.2 Ų | 141.2 | 91% | 0.912 | 71% | 0.71 | S | S | * | * | trans | -66 | 119.6 | 169.6 | -80 | -89.1 | 0 | 0 | 0 | 107.7 | G290 | G290-F292 PolarHBondContact O-N 3.35Å; G290-F292 VanDerWaalsContact O-N 3.11Å | ||
| 293 | K | 47.2 | Very low | 55 | Low | 277 Ų | 277 | 139.7 Ų | 139.7 | 100% | 1.204 | 70% | 0.698 | S | S | * | * | trans | -96.1 | 0 | -179.4 | -157.2 | -179.5 | -178.4 | -178.2 | 0 | 110.8 | G291 | G291-K293 PolarHBondContact O-N 3.39Š|
Retrieved 293 of 293 residues in 227.3 ms
(Link to these results)