| 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 | 55.4 | Low | 74.1 | Confident | 193 Ų | 193 | 126.5 Ų | 126.5 | 95% | 0.951 | 63% | 0.629 | S | S | * | * | 0 | 122.4 | 0 | -66.4 | 172.1 | 85 | 0 | 0 | 107.3 | |||||
| 2 | T | 80.3 | Confident | 73.6 | Confident | 98 Ų | 98 | 128.5 Ų | 128.5 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | trans | -83.1 | 152.3 | -171.7 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | H4 Q5 | T2-H4 PolarHBondContact O-N 2.89Å; T2-Q5 PolarHBondContact O-N 2.95Å | ||
| 3 | I | 83.1 | Confident | 72.9 | Confident | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.1 | -28.3 | -174.7 | -67.7 | 160.9 | 0 | 0 | 0 | 112.8 | Q5 F6 L7 | I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 2.83Å; I3-F6 PolarHBondContact O-N 3.48Å; I3-L7 PolarHBondContact O-N 3.09Å |
| 4 | H | 75 | Confident | 72.6 | Confident | 142 Ų | 142 | 129.6 Ų | 129.6 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.2 | -32 | 175.6 | -67.9 | -59 | 0 | 0 | 0 | 114.5 | T2 L8 | T2-H4 PolarHBondContact O-N 2.89Å; H4-L8 PolarHBondContact O-N 2.77Å |
| 5 | Q | 74.3 | Confident | 71.3 | Confident | 99 Ų | 99 | 127.2 Ų | 127.2 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.6 | -34.6 | 175.7 | -84.8 | -179.9 | -30.3 | 0 | 0 | 112.3 | T2 I3 L9 | T2-Q5 PolarHBondContact O-N 2.95Å; I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 2.83Å; Q5-L9 PolarHBondContact O-N 3.18Å |
| 6 | F | 79.1 | Confident | 70.1 | Confident | 150 Ų | 150 | 125.5 Ų | 125.5 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.5 | -39.9 | 175.8 | -107.7 | -86.6 | 0 | 0 | 0 | 111.9 | I3 L8 L9 F10 | I3-F6 PolarHBondContact O-N 3.48Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.27Å; F6-L9 PolarHBondContact O-N 3.4Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.23Å |
| 7 | L | 77.2 | Confident | 69 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.2 | -34.4 | -179 | -138.7 | 153.1 | 0 | 0 | 0 | 111.8 | I3 L11 | I3-L7 PolarHBondContact O-N 3.09Å; L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 HydrophobicContact CD2-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.23Å |
| 8 | L | 73.6 | Confident | 68 | Low | 126 Ų | 126 | 126.7 Ų | 126.7 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.6 | -43.1 | 174 | -81.6 | 168 | 0 | 0 | 0 | 112.9 | H4 F6 F10 F12 | H4-L8 PolarHBondContact O-N 2.77Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.27Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F12 WeakPolarHBondContact O-CB 3.26Å; L8-F12 PolarHBondContact O-N 3.17Å |
| 9 | L | 72.3 | Confident | 66.6 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67 | -36.2 | 175.6 | -74.4 | 169.8 | 0 | 0 | 0 | 111.9 | Q5 F6 F12 W13 | Q5-L9 PolarHBondContact O-N 3.18Å; F6-L9 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 2.7Å; L9-W13 PolarHBondContact O-N 2.96Å |
| 10 | F | 74.8 | Confident | 65 | Low | 132 Ų | 132 | 130.1 Ų | 130.1 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.4 | -43.9 | 176.7 | -170.1 | -101.4 | 0 | 0 | 0 | 112.1 | F6 L8 F12 W13 V14 | F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.23Å; L8-F10 VanDerWaalsContact C-N 3.33Å; F10-F12 VanDerWaalsContact C-N 3.3Å; F10-F12 PolarHBondContact O-N 3.46Å; F10-W13 PolarHBondContact O-N 3.44Å; F10-V14 HydrophobicContact CD1-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.41Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 VanDerWaalsContact O-CG2 3.27Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.87Å |
| 11 | L | 70.8 | Confident | 64 | Low | 92 Ų | 92 | 129.2 Ų | 129.2 | 48% | 0.482 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.1 | -36.4 | 173.8 | -85.6 | 164.6 | 0 | 0 | 0 | 112.3 | L7 W13 V14 C15 | L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 HydrophobicContact CD2-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.23Å; L11-W13 VanDerWaalsContact C-N 3.34Å; L11-V14 PolarHBondContact O-N 3.21Å; L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 VanDerWaalsContact O-N 3.08Å; L11-C15 PolarHBondContact O-SG 3.25Å |
| 12 | F | 68.1 | Low | 63.4 | Low | 150 Ų | 150 | 125.9 Ų | 125.9 | 66% | 0.658 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.2 | -35.7 | 176 | -156.2 | -96.3 | 0 | 0 | 0 | 112.2 | L8 L9 F10 L16 | L8-F12 WeakPolarHBondContact O-CB 3.26Å; L8-F12 PolarHBondContact O-N 3.17Å; L9-F12 PolarHBondContact O-N 2.7Å; F10-F12 VanDerWaalsContact C-N 3.3Å; F10-F12 PolarHBondContact O-N 3.46Å; F12-L16 HydrophobicContact CD1-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CD1 3.23Å; F12-L16 WeakPolarHBondContact O-CD1 3.26Å |
| 13 | W | 63.6 | Low | 61.4 | Low | 183 Ų | 183 | 128.5 Ų | 128.5 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.8 | -35.4 | 176.1 | -159.5 | 62.3 | 0 | 0 | 0 | 112.8 | L9 F10 L11 | L9-W13 PolarHBondContact O-N 2.96Å; F10-W13 PolarHBondContact O-N 3.44Å; L11-W13 VanDerWaalsContact C-N 3.34Å |
| 14 | V | 69.3 | Low | 59.7 | Low | 89 Ų | 89 | 128.6 Ų | 128.6 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -78.5 | -23.4 | -179 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | F10 L11 | F10-V14 HydrophobicContact CD1-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.41Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 VanDerWaalsContact O-CG2 3.27Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.87Å; L11-V14 PolarHBondContact O-N 3.21Å |
| 15 | C | 53.4 | Low | 58 | Low | 94 Ų | 94 | 128.9 Ų | 128.9 | 64% | 0.635 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -0.1 | -178.1 | -69.7 | 0 | 0 | 0 | 0 | 115.5 | L11 P17 | L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 VanDerWaalsContact O-N 3.08Å; L11-C15 PolarHBondContact O-SG 3.25Å; C15-P17 WeakPolarHBondContact O-CD 3.46Å |
| 16 | L | 51.5 | Low | 56.4 | Low | 100 Ų | 100 | 133.4 Ų | 133.4 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -79.8 | 117.7 | 167.5 | -99.5 | 80.7 | 0 | 0 | 0 | 109.1 | F12 H18 | F12-L16 HydrophobicContact CD1-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CD1 3.23Å; F12-L16 WeakPolarHBondContact O-CD1 3.26Å; L16-H18 PolarHBondContact O-N 3.44Å; L16-H18 VanDerWaalsContact O-N 3.08Å |
| 17 | P | 51.4 | Low | 54.2 | Low | 104 Ų | 104 | 136.5 Ų | 136.5 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | -64.3 | 118.4 | 174.1 | 27.4 | -32.2 | 0 | 0 | 0 | 108.5 | C15 F19 | C15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-F19 HydrophobicContact CB-CD2 4.27Å; P17-F19 PolarHBondContact O-N 2.82Å | ||
| 18 | H | 51.4 | Low | 52.1 | Low | 169 Ų | 169 | 143.1 Ų | 143.1 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | trans | -62.6 | 81.2 | 167.3 | -66.9 | -49.9 | 0 | 0 | 0 | 109.7 | L16 | L16-H18 PolarHBondContact O-N 3.44Å; L16-H18 VanDerWaalsContact O-N 3.08Å | ||
| 19 | F | 41.4 | Very low | 50.3 | Low | 193 Ų | 193 | 143.1 Ų | 143.1 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -98.1 | 89.6 | 164.7 | -103.6 | -85.1 | 0 | 0 | 0 | 108.8 | P17 | P17-F19 HydrophobicContact CB-CD2 4.27Å; P17-F19 PolarHBondContact O-N 2.82Å | ||
| 20 | C | 34.8 | Very low | 48.7 | Very low | 127 Ų | 127 | 143 Ų | 143 | 86% | 0.858 | 72% | 0.721 | S | S | * | * | trans | -171.3 | 93.6 | 143.2 | -115.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 21 | S | 44.5 | Very low | 46.9 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -91.1 | 129.7 | 153.7 | -65 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | P | 42.8 | Very low | 45.2 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -95.1 | 81.8 | 162.6 | 34.4 | -24.4 | 0 | 0 | 0 | 108.3 | ||||
| 23 | E | 38 | Very low | 44 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -99.4 | 95.4 | 164 | -97.2 | -79.7 | 155.4 | 0 | 0 | 107 | M25 | E23-M25 VanDerWaalsContact C-N 3.25Å; E23-M25 PolarHBondContact O-N 2.98Å | ||
| 24 | I | 46.4 | Very low | 43 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -74.5 | 85.4 | 170.4 | -60.7 | 173.7 | 0 | 0 | 0 | 106.6 | F26 | I24-F26 HydrophobicContact CG2-CD2 4.23Å; I24-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | M | 40.3 | Very low | 41.3 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -71.1 | 102.2 | 164.1 | -82.1 | -164.9 | -172.3 | 0 | 0 | 109.3 | E23 R27 | E23-M25 VanDerWaalsContact C-N 3.25Å; E23-M25 PolarHBondContact O-N 2.98Å; M25-R27 VanDerWaalsContact C-N 3.27Å; M25-R27 PolarHBondContact O-N 3.41Å | ||
| 26 | F | 40.6 | Very low | 40.7 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -65.8 | 88.2 | 157 | -112.2 | -92.5 | 0 | 0 | 0 | 108.7 | I24 | I24-F26 HydrophobicContact CG2-CD2 4.23Å; I24-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact O-N 3.12Å | ||
| 27 | R | 31.7 | Very low | 40 | Very low | 214 Ų | 214 | 159.7 Ų | 159.7 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -102.5 | 101.1 | 169.7 | -139.8 | -176.2 | -157.2 | -113.4 | 5.3 | 108.9 | M25 T29 | M25-R27 VanDerWaalsContact C-N 3.27Å; M25-R27 PolarHBondContact O-N 3.41Å; R27-T29 PolarHBondContact O-N 3.5Å | ||
| 28 | R | 33.9 | Very low | 39.7 | Very low | 237 Ų | 237 | 159.8 Ų | 159.8 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.3 | 162.9 | -78 | 177.7 | 178 | 159 | -0.3 | 108.2 | ||
| 29 | T | 36.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 156.6 Ų | 156.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 135.3 | 165.7 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | R27 | R27-T29 PolarHBondContact O-N 3.5Š|
| 30 | P | 38.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 159 Ų | 159 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 147.5 | 175.3 | 30.9 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 31 | V | 35.2 | Very low | 39.8 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 126.5 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 32 | P | 36.7 | Very low | 39.9 | Very low | 110 Ų | 110 | 158.9 Ų | 158.9 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 110.1 | 161.2 | 19.4 | -3 | 0 | 0 | 0 | 109.6 | Q34 | P32-Q34 PolarHBondContact O-N 3.15Š| ||
| 33 | Q | 43 | Very low | 40.2 | Very low | 190 Ų | 190 | 164.8 Ų | 164.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -71 | 109 | 167.4 | -175.2 | 163.7 | -25.6 | 0 | 0 | 108.7 | ||||
| 34 | Q | 40.8 | Very low | 41.3 | Very low | 183 Ų | 183 | 162.3 Ų | 162.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -116.2 | 125.9 | 172.4 | -83.4 | -174.2 | -16.8 | 0 | 0 | 112.7 | P32 | P32-Q34 PolarHBondContact O-N 3.15Š| ||
| 35 | R | 34.8 | Very low | 41.9 | Very low | 243 Ų | 243 | 162.8 Ų | 162.8 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -66.1 | 141 | -174.6 | -144.1 | 177.6 | -70.9 | -164.9 | -2.2 | 110.2 | L37 | R35-L37 PolarHBondContact O-N 3.39Š| ||
| 36 | I | 40.7 | Very low | 43.1 | Very low | 160 Ų | 160 | 159 Ų | 159 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | trans | -53.1 | 127.4 | 176.5 | -62.2 | 164 | 0 | 0 | 0 | 110.9 | ||||
| 37 | L | 37.2 | Very low | 44.4 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -143.3 | 119.9 | 147.6 | -141.1 | 82.9 | 0 | 0 | 0 | 108.6 | R35 S39 | R35-L37 PolarHBondContact O-N 3.39Å; L37-S39 PolarHBondContact O-N 3.42Å | ||
| 38 | S | 44.3 | Very low | 46 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -65.8 | 121.6 | -175.1 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 39 | S | 39.6 | Very low | 47.7 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -108.2 | 121.1 | 154.2 | 57.3 | 0 | 0 | 0 | 0 | 108.1 | L37 V41 | L37-S39 PolarHBondContact O-N 3.42Å; S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | R | 42.3 | Very low | 49.3 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -68.8 | 107.4 | 176.2 | -67.4 | 179.1 | -169.6 | 177.6 | 3 | 108.1 | ||||
| 41 | V | 48.1 | Very low | 50.9 | Low | 124 Ų | 124 | 157.9 Ų | 157.9 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 129.1 | 168.7 | 179.3 | 0 | 0 | 0 | 0 | 108 | S39 R43 | S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.14Å; V41-R43 PolarHBondContact O-N 3.34Å | ||
| 42 | P | 47.4 | Very low | 52.7 | Low | 114 Ų | 114 | 158.5 Ų | 158.5 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 129.7 | 174.3 | 26.4 | -30.8 | 0 | 0 | 0 | 108.9 | S44 | P42-S44 PolarHBondContact O-N 2.94Š| ||
| 43 | R | 49 | Very low | 54.1 | Low | 245 Ų | 245 | 161.9 Ų | 161.9 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -59.5 | 100.6 | -176.7 | -154.6 | 173 | -173 | 160 | -0.7 | 108.4 | V41 D45 | V41-R43 PolarHBondContact O-N 3.34Å; R43-D45 PolarHBondContact O-N 3.39Å | ||
| 44 | S | 59.7 | Low | 55.4 | Low | 103 Ų | 103 | 164 Ų | 164 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -65 | 122.3 | 169 | 62.3 | 0 | 0 | 0 | 0 | 107.5 | P42 G46 | P42-S44 PolarHBondContact O-N 2.94Å; S44-G46 PolarHBondContact O-N 3.47Å | ||
| 45 | D | 59.3 | Low | 56.6 | Low | 153 Ų | 153 | 158.3 Ų | 158.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -50 | 110.8 | 169.6 | -72.6 | -37.8 | 0 | 0 | 0 | 108.5 | R43 K47 | R43-D45 PolarHBondContact O-N 3.39Å; D45-K47 PolarHBondContact O-N 3.04Å | ||
| 46 | G | 65.5 | Low | 58 | Low | 70 Ų | 70 | 156.5 Ų | 156.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -69 | 74.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S44 I48 | S44-G46 PolarHBondContact O-N 3.47Å; G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.99Å | ||
| 47 | K | 69 | Low | 58.7 | Low | 187 Ų | 187 | 155.3 Ų | 155.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 99.7 | 156.8 | -77.9 | -177.6 | 179.8 | 178.9 | 0 | 106.4 | D45 L49 | D45-K47 PolarHBondContact O-N 3.04Å; K47-L49 PolarHBondContact O-N 3.43Å | ||
| 48 | I | 65.1 | Low | 60 | Low | 161 Ų | 161 | 156.8 Ų | 156.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -53.4 | 107 | 170.3 | -66.2 | 161 | 0 | 0 | 0 | 106.7 | G46 H50 | G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.99Å; I48-H50 VanDerWaalsContact C-N 3.33Å; I48-H50 PolarHBondContact O-N 2.87Å | ||
| 49 | L | 69.9 | Low | 61.6 | Low | 163 Ų | 163 | 158.4 Ų | 158.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 96.7 | 172.8 | -66 | 178.2 | 0 | 0 | 0 | 106.8 | K47 R51 | K47-L49 PolarHBondContact O-N 3.43Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.88Å | ||
| 50 | H | 69.2 | Low | 63.8 | Low | 144 Ų | 144 | 158.4 Ų | 158.4 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | -69.3 | 96.6 | 173.5 | -169.1 | -21.2 | 0 | 0 | 0 | 108.2 | I48 Q52 | I48-H50 VanDerWaalsContact C-N 3.33Å; I48-H50 PolarHBondContact O-N 2.87Å; H50-Q52 PolarHBondContact O-N 2.81Å | ||
| 51 | R | 73.1 | Confident | 65.9 | Low | 210 Ų | 210 | 151.8 Ų | 151.8 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -69.9 | 114.7 | 165.8 | -178.5 | 176.1 | 177.5 | -120.3 | 2.4 | 107.7 | L49 | L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.88Å | ||
| 52 | Q | 72.2 | Confident | 67.8 | Low | 146 Ų | 146 | 153.6 Ų | 153.6 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | -75.9 | 120.3 | 165.1 | -69.8 | -103.1 | -53.7 | 0 | 0 | 107.2 | H50 R54 | H50-Q52 PolarHBondContact O-N 2.81Å; Q52-R54 PolarHBondContact O-N 2.85Å; Q52-R54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | K | 66.6 | Low | 69.8 | Low | 182 Ų | 182 | 150.9 Ų | 150.9 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -69.4 | 110.1 | 173 | -172.7 | 178.6 | 179.5 | -177.2 | 0 | 106.6 | G55 | K53-G55 PolarHBondContact O-N 3.49Š| ||
| 54 | R | 69.6 | Low | 71.4 | Confident | 233 Ų | 233 | 144.9 Ų | 144.9 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.6 | 170.8 | -61.8 | -177.9 | 83.6 | -159.8 | 4.9 | 107 | Q52 | Q52-R54 PolarHBondContact O-N 2.85Å; Q52-R54 VanDerWaalsContact O-N 3.13Å |
| 55 | G | 65.1 | Low | 72.6 | Confident | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 159.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K53 | K53-G55 PolarHBondContact O-N 3.49Š|
| 56 | W | 65.7 | Low | 73.8 | Confident | 205 Ų | 205 | 143.1 Ų | 143.1 | 78% | 0.777 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.3 | 170.9 | -67.6 | 96.5 | 0 | 0 | 0 | 109.9 | W58 | W56-W58 HydrophobicContact CB-CD2 4.41Å; W56-W58 HydrophobicContact CB-CG 4.21Å; W56-W58 HydrophobicContact CB-CZ2 4.37Å; W56-W58 AromaticContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CE3-CH2 4.35Å; W56-W58 AromaticContact CE3-CZ2 3.79Å; W56-W58 HydrophobicContact CE3-CZ2 3.79Å; W56-W58 AromaticContact CG-CE2 3.98Å; W56-W58 HydrophobicContact CG-CZ2 4.17Å; W56-W58 AromaticContact CG-NE1 3.5Å; W56-W58 HydrophobicContact CZ3-CZ2 4.37Å |
| 57 | M | 55.8 | Low | 74.4 | Confident | 136 Ų | 136 | 143.5 Ų | 143.5 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | trans | -94.5 | 89.4 | 170.8 | -59.9 | -172.6 | -48.2 | 0 | 0 | 108.1 | N59 | M57-N59 VanDerWaalsContact C-N 3.34Š| ||
| 58 | W | 62.8 | Low | 75 | Confident | 200 Ų | 200 | 140.6 Ų | 140.6 | 76% | 0.758 | 66% | 0.656 | S | S | * | * | trans | -89.3 | -0 | 180 | -68.2 | 112.4 | 0 | 0 | 0 | 113.4 | W56 Q60 | W56-W58 HydrophobicContact CB-CD2 4.41Å; W56-W58 HydrophobicContact CB-CG 4.21Å; W56-W58 HydrophobicContact CB-CZ2 4.37Å; W56-W58 AromaticContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CE3-CH2 4.35Å; W56-W58 AromaticContact CE3-CZ2 3.79Å; W56-W58 HydrophobicContact CE3-CZ2 3.79Å; W56-W58 AromaticContact CG-CE2 3.98Å; W56-W58 HydrophobicContact CG-CZ2 4.17Å; W56-W58 AromaticContact CG-NE1 3.5Å; W56-W58 HydrophobicContact CZ3-CZ2 4.37Å; W58-Q60 PolarHBondContact O-N 3.17Å | ||
| 59 | N | 79.3 | Confident | 75.7 | Confident | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | trans | -96.9 | 39.9 | -171.7 | 63 | -52.5 | 0 | 0 | 0 | 113 | M57 | M57-N59 VanDerWaalsContact C-N 3.34Š| ||
| 60 | Q | 85.1 | Confident | 76.2 | Confident | 102 Ų | 102 | 132.3 Ų | 132.3 | 48% | 0.477 | 63% | 0.631 | S | S | . | * | trans | -134.2 | 142.4 | 174.7 | 81.4 | -174.6 | 14.9 | 0 | 0 | 110.9 | W58 F62 | W58-Q60 PolarHBondContact O-N 3.17Å; Q60-F62 HydrophobicContact CG-CE2 4.18Å; Q60-F62 HydrophobicContact CG-CZ 4.27Å | ||
| 61 | F | 87.4 | Confident | 77 | Confident | 104 Ų | 104 | 131 Ų | 131 | 46% | 0.456 | 63% | 0.629 | S | S | . | * | trans | -112.4 | 153.8 | 171 | -62.9 | -72.9 | 0 | 0 | 0 | 109.6 | V75 I111 | F61-V75 HydrophobicContact CB-CG1 3.61Å; F61-V75 HydrophobicContact CD2-CG1 4.46Å; F61-V75 HydrophobicContact CG-CG1 4Å; F61-I111 HydrophobicContact CE2-CD1 4.05Å; F61-I111 HydrophobicContact CZ-CD1 4.44Å | ||
| 62 | F | 88.1 | Confident | 77.9 | Confident | 162 Ų | 162 | 127.8 Ų | 127.8 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | trans | -117.5 | 135.4 | 178.4 | -62.4 | -82.9 | 0 | 0 | 0 | 109.4 | Q60 | Q60-F62 HydrophobicContact CG-CE2 4.18Å; Q60-F62 HydrophobicContact CG-CZ 4.27Å | ||
| 63 | L | 87.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 121.7 Ų | 121.7 | 30% | 0.298 | 59% | 0.59 | S | S | . | * | trans | -118 | 148.1 | 175.5 | -77.5 | 78.9 | 0 | 0 | 0 | 109.7 | V75 F102 A113 I117 | L63-V75 HydrophobicContact CD1-CB 4.26Å; L63-V75 HydrophobicContact CD1-CG1 3.53Å; L63-V75 HydrophobicContact CD1-CG2 3.98Å; L63-V75 HydrophobicContact CD2-CG2 3.72Å; L63-V75 HydrophobicContact CG-CG1 4.33Å; L63-V75 HydrophobicContact CG-CG2 3.91Å; L63-F102 HydrophobicContact CD2-CE1 3.8Å; L63-A113 HydrophobicContact CD2-CB 3.78Å; L63-I117 HydrophobicContact CD2-CD1 3.57Å | ||
| 64 | L | 84.3 | Confident | 80.2 | Confident | 119 Ų | 119 | 119 Ų | 119 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | trans | -78.2 | 124.3 | 167.7 | -172.4 | 69.9 | 0 | 0 | 0 | 108.5 | Q73 | L64-Q73 VanDerWaalsContact CB-NE2 3.34Å; L64-Q73 PolarHBondContact O-NE2 3.49Å; L64-Q73 PolarHBondContact O-OE1 3Å | ||
| 65 | E | 84.1 | Confident | 81.3 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 154.4 | 172.3 | 66.3 | -165.3 | -172.3 | 0 | 0 | 111.3 | Y67 | E65-Y67 PolarHBondContact O-N 3.29Š|
| 66 | E | 83.4 | Confident | 82.6 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 28.2 | 175.6 | -57.9 | -165.1 | 151.8 | 0 | 0 | 115.4 | T68 R116 I117 | E66-T68 WeakPolarHBondContact O-CG2 3.45Å; E66-T68 PolarHBondContact O-N 3.37Å; E66-T68 VanDerWaalsContact O-N 3.09Å; E66-R116 PolarHBondContact O-NE 3.43Å; E66-R116 PolarHBondContact O-NH2 3.15Å; E66-I117 PolarHBondContact N-O 3.38Å |
| 67 | Y | 79.6 | Confident | 83.8 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 31% | 0.31 | 50% | 0.496 | S | S | . | . | trans | -48.6 | 121.4 | -178.5 | -178.8 | -107.8 | 0 | 0 | 0 | 112 | E65 D71 Q73 R116 | E65-Y67 PolarHBondContact O-N 3.29Å; Y67-D71 WeakPolarHBondContact CE1-O 3.47Å; Y67-Q73 HydrophobicContact CD1-CB 3.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.28Å; Y67-Q73 HydrophobicContact CD2-CG 4.36Å; Y67-Q73 HydrophobicContact CE1-CB 4.1Å; Y67-Q73 HydrophobicContact CG-CB 4.17Å; Y67-Q73 HydrophobicContact CG-CG 4.13Å; Y67-R116 WeakPolarHBondContact O-CD 3.19Å; Y67-R116 VanDerWaalsContact O-CG 3.26Å; Y67-R116 WeakPolarHBondContact O-CG 3.32Å; Y67-R116 PolarHBondContact O-NE 2.9Å | ||
| 68 | T | 80.7 | Confident | 85.5 | Confident | 125 Ų | 125 | 96.6 Ų | 96.6 | 77% | 0.767 | 47% | 0.473 | S | S | * | . | trans | -98.4 | 8.7 | -174.8 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | E66 | E66-T68 WeakPolarHBondContact O-CG2 3.45Å; E66-T68 PolarHBondContact O-N 3.37Å; E66-T68 VanDerWaalsContact O-N 3.09Å | ||
| 69 | G | 80.3 | Confident | 86.7 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 34% | 0.34 | 46% | 0.463 | S | S | . | . | trans | -68.5 | 154.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D71 | G69-D71 VanDerWaalsContact C-N 3.26Š| ||
| 70 | S | 80.3 | Confident | 87 | Confident | 117 Ų | 117 | 86.7 Ų | 86.7 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -73.6 | -20.4 | 175.1 | 54 | 0 | 0 | 0 | 0 | 113.2 | ||
| 71 | D | 85.8 | Confident | 86.8 | Confident | 118 Ų | 118 | 89 Ų | 89 | 63% | 0.631 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -106.8 | 168.2 | -169.5 | -57.1 | -10.5 | 0 | 0 | 0 | 110.8 | Y67 G69 Q73 | Y67-D71 WeakPolarHBondContact CE1-O 3.47Å; G69-D71 VanDerWaalsContact C-N 3.26Å; D71-Q73 PolarHBondContact O-N 3.44Å |
| 72 | Y | 92.6 | Very high | 86.5 | Confident | 141 Ų | 141 | 85.7 Ų | 85.7 | 55% | 0.553 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 135 | 175.3 | -59.2 | -29.3 | 0 | 0 | 0 | 111.1 | Y74 I103 A113 T114 | Y72-Y74 PolarHBondContact O-N 2.91Å; Y72-I103 HydrophobicContact CD2-CD1 3.61Å; Y72-I103 HydrophobicContact CE2-CD1 3.55Å; Y72-A113 CarbonylContact C-O 3.59Å; Y72-A113 WeakPolarHBondContact CA-O 3.4Å; Y72-A113 WeakPolarHBondContact CB-O 3.4Å; Y72-T114 HydrophobicContact CD1-CG2 4.2Å; Y72-T114 HydrophobicContact CE1-CG2 3.96Å; Y72-T114 HydrophobicContact CE2-CG2 4.33Å; Y72-T114 HydrophobicContact CG-CG2 4.47Å |
| 73 | Q | 93.1 | Very high | 86.3 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.1 | -179.1 | -177.3 | -180 | 17.2 | 0 | 0 | 109.7 | L64 Y67 D71 V75 H112 A113 | L64-Q73 VanDerWaalsContact CB-NE2 3.34Å; L64-Q73 PolarHBondContact O-NE2 3.49Å; L64-Q73 PolarHBondContact O-OE1 3Å; Y67-Q73 HydrophobicContact CD1-CB 3.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.28Å; Y67-Q73 HydrophobicContact CD2-CG 4.36Å; Y67-Q73 HydrophobicContact CE1-CB 4.1Å; Y67-Q73 HydrophobicContact CG-CB 4.17Å; Y67-Q73 HydrophobicContact CG-CG 4.13Å; D71-Q73 PolarHBondContact O-N 3.44Å; Q73-V75 PolarHBondContact O-N 2.78Å; Q73-H112 CarbonylContact O-C 3.35Å; Q73-H112 VanDerWaalsContact O-CA 3.27Å; Q73-H112 WeakPolarHBondContact O-CA 3.25Å; Q73-A113 HydrophobicContact CB-CB 4.32Å; Q73-A113 PolarHBondContact N-O 3.06Å; Q73-A113 PolarHBondContact O-N 3.03Å |
| 74 | Y | 93.2 | Very high | 86 | Confident | 127 Ų | 127 | 85 Ų | 85 | 50% | 0.498 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130 | 174.9 | -179.7 | -104.7 | 0 | 0 | 0 | 111 | Y72 G76 D110 H112 | Y72-Y74 PolarHBondContact O-N 2.91Å; Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; Y74-G76 VanDerWaalsContact OH-C 3.28Å; Y74-D110 HydrophobicContact CE2-CB 4.24Å; Y74-H112 AromaticContact CD2-CE1 3.94Å; Y74-H112 AromaticContact CD2-NE2 3.68Å |
| 75 | V | 92.6 | Very high | 86 | Confident | 18 Ų | 18 | 82.5 Ų | 82.5 | 11% | 0.109 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -42.3 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F61 L63 Q73 F102 I111 A113 | F61-V75 HydrophobicContact CB-CG1 3.61Å; F61-V75 HydrophobicContact CD2-CG1 4.46Å; F61-V75 HydrophobicContact CG-CG1 4Å; L63-V75 HydrophobicContact CD1-CB 4.26Å; L63-V75 HydrophobicContact CD1-CG1 3.53Å; L63-V75 HydrophobicContact CD1-CG2 3.98Å; L63-V75 HydrophobicContact CD2-CG2 3.72Å; L63-V75 HydrophobicContact CG-CG1 4.33Å; L63-V75 HydrophobicContact CG-CG2 3.91Å; Q73-V75 PolarHBondContact O-N 2.78Å; V75-F102 HydrophobicContact CG2-CD1 4.35Å; V75-F102 HydrophobicContact CG2-CE1 4.49Å; V75-I111 HydrophobicContact CB-CB 4.12Å; V75-I111 HydrophobicContact CB-CG2 3.88Å; V75-I111 WeakPolarHBondContact CB-O 2.8Å; V75-I111 HydrophobicContact CG1-CG2 4.16Å; V75-I111 HydrophobicContact CG2-CG2 4.26Å; V75-I111 PolarHBondContact N-O 3.2Å; V75-A113 HydrophobicContact CG2-CB 3.99Å |
| 76 | G | 92.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | -170 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y74 I111 | Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; Y74-G76 VanDerWaalsContact OH-C 3.28Å; G76-I111 PolarHBondContact O-N 3.07Å |
| 77 | K | 92.6 | Very high | 85.9 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 46% | 0.457 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129.7 | -178 | -175.2 | 177.8 | -168.2 | 178.3 | 0 | 110.3 | T108 G109 D110 | K77-T108 WeakPolarHBondContact CE-O 3.47Å; K77-G109 CarbonylContact C-O 3.5Å; K77-G109 WeakPolarHBondContact CA-O 3.37Å; K77-D110 VanDerWaalsContact CD-OD1 3.25Å; K77-D110 WeakPolarHBondContact CD-OD1 3.25Å; K77-D110 VanDerWaalsContact CG-OD1 3.29Å; K77-D110 WeakPolarHBondContact CG-OD1 3.45Å |
| 78 | L | 90.7 | Very high | 86 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | trans | -84.5 | 132.5 | 167.7 | -176.4 | 61.3 | 0 | 0 | 0 | 109.1 | Y91 I104 G109 T129 | L78-Y91 HydrophobicContact CB-CD1 4.27Å; L78-Y91 HydrophobicContact CD2-CD1 3.6Å; L78-Y91 HydrophobicContact CD2-CE1 4.29Å; L78-Y91 HydrophobicContact CD2-CG 4.43Å; L78-Y91 HydrophobicContact CG-CD1 3.77Å; L78-Y91 HydrophobicContact CG-CE1 4.02Å; L78-I104 HydrophobicContact CB-CD1 4.24Å; L78-I104 HydrophobicContact CD2-CD1 4.3Å; L78-G109 PolarHBondContact N-O 3.1Å; L78-T129 HydrophobicContact CD1-CG2 4.05Å; L78-T129 HydrophobicContact CD2-CG2 3.68Å; L78-T129 HydrophobicContact CG-CG2 4.48Å | ||
| 79 | H | 87.7 | Confident | 86.2 | Confident | 121 Ų | 121 | 73 Ų | 73 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | trans | -138.5 | 143.4 | 177 | -175.6 | 59 | 0 | 0 | 0 | 110.2 | ||||
| 80 | S | 85.3 | Confident | 86.6 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | trans | -115.5 | 136.1 | 172.2 | -160.2 | 0 | 0 | 0 | 0 | 107.4 | Q82 D83 Y91 R131 | S80-Q82 PolarHBondContact O-N 3.23Å; S80-Q82 VanDerWaalsContact O-N 3.15Å; S80-D83 WeakPolarHBondContact O-CB 3.44Å; S80-D83 PolarHBondContact O-N 3.45Å; S80-Y91 PolarHBondContact N-OH 2.92Å; S80-R131 PolarHBondContact OG-NH1 3.38Å | ||
| 81 | D | 82.4 | Confident | 87.1 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 80% | 0.802 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30.9 | 167.9 | 54.9 | -9.6 | 0 | 0 | 0 | 114.3 | D83 | D81-D83 PolarHBondContact O-N 2.97Š|
| 82 | Q | 79.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.3 | 176.8 | -158.8 | 176.2 | 23.3 | 0 | 0 | 113.8 | S80 K84 L89 A135 E138 | S80-Q82 PolarHBondContact O-N 3.23Å; S80-Q82 VanDerWaalsContact O-N 3.15Å; Q82-K84 PolarHBondContact O-N 2.92Å; Q82-L89 HydrophobicContact CB-CD1 4.31Å; Q82-A135 PolarHBondContact NE2-O 3.43Å; Q82-A135 PolarHBondContact OE1-O 3.44Å; Q82-E138 PolarHBondContact NE2-OE2 3.08Å |
| 83 | D | 84.3 | Confident | 87.4 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -75.4 | 107.1 | -179.7 | -169.6 | 7.2 | 0 | 0 | 0 | 111.1 | S80 D81 G85 L89 Y91 | S80-D83 WeakPolarHBondContact O-CB 3.44Å; S80-D83 PolarHBondContact O-N 3.45Å; D81-D83 PolarHBondContact O-N 2.97Å; D83-G85 VanDerWaalsContact C-N 3.26Å; D83-G85 PolarHBondContact OD1-N 3.18Å; D83-L89 HydrophobicContact CB-CD1 3.68Å; D83-Y91 WeakPolarHBondContact CB-OH 3.22Å; D83-Y91 PolarHBondContact OD2-OH 2.88Å; D83-Y91 VanDerWaalsContact OD2-OH 3.1Å | ||
| 84 | K | 82.7 | Confident | 87.3 | Confident | 172 Ų | 172 | 63.5 Ų | 63.5 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | trans | -83.1 | -3.5 | 175.5 | -64.2 | 177.7 | -176.1 | 172.6 | 0 | 112.5 | Q82 D86 | Q82-K84 PolarHBondContact O-N 2.92Å; K84-D86 PolarHBondContact O-N 2.67Å | ||
| 85 | G | 83.2 | Confident | 87.2 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 72.7 | 13.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D83 G87 | D83-G85 VanDerWaalsContact C-N 3.26Å; D83-G85 PolarHBondContact OD1-N 3.18Å; G85-G87 VanDerWaalsContact C-N 3.3Å |
| 86 | D | 83 | Confident | 87.2 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -85.8 | -2.3 | 177.3 | 63.8 | -8.3 | 0 | 0 | 0 | 113 | K84 S88 | K84-D86 PolarHBondContact O-N 2.67Å; D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 2.75Å; D86-S88 WeakPolarHBondContact OD1-CB 3.27Å; D86-S88 PolarHBondContact OD1-N 2.67Å; D86-S88 PolarHBondContact OD1-OG 2.84Å |
| 87 | G | 81.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 74.1 | 14.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G85 L89 | G85-G87 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.18Å |
| 88 | S | 82.5 | Confident | 87.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | trans | -66.6 | -25 | 173.2 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | D86 | D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 2.75Å; D86-S88 WeakPolarHBondContact OD1-CB 3.27Å; D86-S88 PolarHBondContact OD1-N 2.67Å; D86-S88 PolarHBondContact OD1-OG 2.84Å | ||
| 89 | L | 84.2 | Confident | 87.1 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | trans | -96.7 | 143.6 | 175.7 | -63.2 | -175.3 | 0 | 0 | 0 | 111.6 | Q82 D83 G87 A135 | Q82-L89 HydrophobicContact CB-CD1 4.31Å; D83-L89 HydrophobicContact CB-CD1 3.68Å; G87-L89 PolarHBondContact O-N 3.18Å; L89-A135 HydrophobicContact CD2-CB 3.14Å | ||
| 90 | K | 88.9 | Confident | 87.4 | Confident | 77 Ų | 77 | 59.5 Ų | 59.5 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | trans | -122.1 | 121.6 | 171.1 | 159.1 | 175.7 | -156.1 | 136.3 | 0 | 108.1 | I92 E106 N132 | K90-I92 HydrophobicContact CD-CD1 3.9Å; K90-I92 HydrophobicContact CD-CG1 4.09Å; K90-I92 HydrophobicContact CG-CD1 3.99Å; K90-I92 HydrophobicContact CG-CG1 3.7Å; K90-E106 HydrophobicContact CB-CG 4.04Å; K90-E106 VanDerWaalsContact CD-CD 3.48Å; K90-E106 HydrophobicContact CD-CG 4.18Å; K90-E106 WeakPolarHBondContact CD-OE1 3.45Å; K90-E106 WeakPolarHBondContact CE-OE1 3.32Å; K90-E106 WeakPolarHBondContact CE-OE2 3.42Å; K90-E106 HydrophobicContact CG-CB 4.35Å; K90-E106 HydrophobicContact CG-CG 3.66Å; K90-E106 VanDerWaalsContact CG-OE1 3.28Å; K90-E106 WeakPolarHBondContact CG-OE1 3.3Å; K90-E106 IonicContact NZ-OE1 3.91Å; K90-E106 PolarHBondContact NZ-OE1 3.14Å; K90-E106 IonicContact NZ-OE2 3.53Å; K90-E106 PolarHBondContact NZ-OE2 3.23Å; K90-N132 HydrophobicContact CB-CB 4.45Å | ||
| 91 | Y | 90.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.1 | 174.3 | -64.7 | -71.5 | 0 | 0 | 0 | 110.4 | L78 S80 D83 E106 | L78-Y91 HydrophobicContact CB-CD1 4.27Å; L78-Y91 HydrophobicContact CD2-CD1 3.6Å; L78-Y91 HydrophobicContact CD2-CE1 4.29Å; L78-Y91 HydrophobicContact CD2-CG 4.43Å; L78-Y91 HydrophobicContact CG-CD1 3.77Å; L78-Y91 HydrophobicContact CG-CE1 4.02Å; S80-Y91 PolarHBondContact N-OH 2.92Å; D83-Y91 WeakPolarHBondContact CB-OH 3.22Å; D83-Y91 PolarHBondContact OD2-OH 2.88Å; D83-Y91 VanDerWaalsContact OD2-OH 3.1Å; Y91-E106 WeakPolarHBondContact CD2-O 3.44Å; Y91-E106 PolarHBondContact N-O 3.18Å; Y91-E106 WeakPolarHBondContact O-CA 3.33Å |
| 92 | I | 91.6 | Very high | 88.3 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 34% | 0.338 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.8 | 179.8 | -52 | 177.3 | 0 | 0 | 0 | 108.4 | K90 L130 | K90-I92 HydrophobicContact CD-CD1 3.9Å; K90-I92 HydrophobicContact CD-CG1 4.09Å; K90-I92 HydrophobicContact CG-CD1 3.99Å; K90-I92 HydrophobicContact CG-CG1 3.7Å; I92-L130 HydrophobicContact CB-CB 4.26Å; I92-L130 PolarHBondContact N-O 3.08Å; I92-L130 PolarHBondContact O-N 2.77Å |
| 93 | L | 92.4 | Very high | 89.1 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.3 | 168.9 | -68.3 | -179.8 | 0 | 0 | 0 | 110.5 | A98 F102 I104 I111 I127 T129 | L93-A98 HydrophobicContact CB-CB 4.09Å; L93-F102 HydrophobicContact CD1-CB 4.26Å; L93-I104 HydrophobicContact CB-CG2 4.16Å; L93-I104 HydrophobicContact CD1-CB 3.71Å; L93-I104 HydrophobicContact CD1-CD1 4.36Å; L93-I104 HydrophobicContact CD1-CG2 4.12Å; L93-I104 HydrophobicContact CD2-CD1 4.04Å; L93-I104 HydrophobicContact CG-CB 3.74Å; L93-I104 HydrophobicContact CG-CD1 3.82Å; L93-I104 HydrophobicContact CG-CG1 4.39Å; L93-I104 HydrophobicContact CG-CG2 3.74Å; L93-I111 HydrophobicContact CD1-CD1 4.23Å; L93-I111 HydrophobicContact CD1-CG1 4.14Å; L93-I111 HydrophobicContact CD1-CG2 3.84Å; L93-I111 HydrophobicContact CD2-CD1 4.06Å; L93-I127 HydrophobicContact CB-CG2 4.39Å; L93-I127 HydrophobicContact CD2-CG2 3.83Å; L93-T129 HydrophobicContact CD2-CG2 3.95Å |
| 94 | S | 92 | Very high | 89.6 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 163.3 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I127 G128 | S94-I127 CarbonylContact O-C 3.59Å; S94-I127 WeakPolarHBondContact O-CA 3.27Å; S94-I127 WeakPolarHBondContact O-CG2 3.39Å; S94-G128 PolarHBondContact N-O 3.2Å; S94-G128 PolarHBondContact O-N 3.09Å; S94-G128 VanDerWaalsContact O-O 3.07Å |
| 95 | G | 91.5 | Very high | 90.1 | Very high | 43 Ų | 43 | 50 Ų | 50 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.6 | -154.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G97 A98 | G95-G97 PolarHBondContact O-N 2.77Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.88Å |
| 96 | D | 92.4 | Very high | 90.6 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 125.5 | -166 | -70.6 | -11.6 | 0 | 0 | 0 | 111.9 | A98 F125 D126 | D96-A98 PolarHBondContact O-N 3.45Å; D96-A98 VanDerWaalsContact O-N 3.17Å; D96-F125 HydrophobicContact CB-CB 4.49Å; D96-F125 HydrophobicContact CB-CD1 4.22Å; D96-D126 PolarHBondContact N-O 2.84Å |
| 97 | G | 90.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G95 G99 T100 L101 F102 | G95-G97 PolarHBondContact O-N 2.77Å; G97-G99 PolarHBondContact O-N 3.42Å; G97-T100 PolarHBondContact O-N 3.07Å; G97-T100 PolarHBondContact O-OG1 2.99Å; G97-L101 PolarHBondContact O-N 2.82Å; G97-F102 PolarHBondContact O-N 3.38Å |
| 98 | A | 93.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 135.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L93 G95 D96 T100 | L93-A98 HydrophobicContact CB-CB 4.09Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.88Å; D96-A98 PolarHBondContact O-N 3.45Å; D96-A98 VanDerWaalsContact O-N 3.17Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-T100 VanDerWaalsContact O-N 3.15Å |
| 99 | G | 90.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 50 Ų | 50 | 66% | 0.66 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -3.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | G97 F102 | G97-G99 PolarHBondContact O-N 3.42Å; G99-F102 PolarHBondContact N-O 3.08Å |
| 100 | T | 92.9 | Very high | 92.3 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -66.3 | 179.9 | 56 | 0 | 0 | 0 | 0 | 111.3 | G97 A98 T114 | G97-T100 PolarHBondContact O-N 3.07Å; G97-T100 PolarHBondContact O-OG1 2.99Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-T100 VanDerWaalsContact O-N 3.15Å; T100-T114 PolarHBondContact O-OG1 2.89Å |
| 101 | L | 93.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -42.7 | 174.5 | -94.4 | 138.9 | 0 | 0 | 0 | 111.3 | G97 A113 T114 R115 I117 F125 | G97-L101 PolarHBondContact O-N 2.82Å; L101-A113 CarbonylContact O-C 3.58Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.15Å; L101-T114 PolarHBondContact O-N 3.33Å; L101-T114 PolarHBondContact O-OG1 3Å; L101-R115 HydrophobicContact CD2-CB 3.92Å; L101-I117 HydrophobicContact CD2-CG1 4.11Å; L101-F125 HydrophobicContact CD1-CE1 4.44Å |
| 102 | F | 95 | Very high | 92.7 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124 | -179.8 | -56.1 | -73.4 | 0 | 0 | 0 | 109.8 | L63 V75 L93 G97 G99 H112 A113 I117 F125 I127 | L63-F102 HydrophobicContact CD2-CE1 3.8Å; V75-F102 HydrophobicContact CG2-CD1 4.35Å; V75-F102 HydrophobicContact CG2-CE1 4.49Å; L93-F102 HydrophobicContact CD1-CB 4.26Å; G97-F102 PolarHBondContact O-N 3.38Å; G99-F102 PolarHBondContact N-O 3.08Å; F102-H112 WeakPolarHBondContact CA-O 3.29Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 HydrophobicContact CE1-CB 4.1Å; F102-I117 HydrophobicContact CE1-CD1 3.87Å; F102-I117 HydrophobicContact CZ-CD1 3.63Å; F102-F125 HydrophobicContact CE2-CB 3.95Å; F102-F125 AromaticContact CE2-CD1 3.79Å; F102-F125 HydrophobicContact CE2-CD1 3.79Å; F102-F125 AromaticContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CE1 4.25Å; F102-F125 HydrophobicContact CE2-CE2 4.32Å; F102-F125 AromaticContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CZ 4.49Å; F102-F125 HydrophobicContact CZ-CB 4.4Å; F102-F125 HydrophobicContact CZ-CD1 4.43Å; F102-F125 AromaticContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CE2 4.03Å; F102-F125 AromaticContact CZ-CG 3.91Å; F102-F125 HydrophobicContact CZ-CG 3.91Å; F102-I127 HydrophobicContact CB-CD1 4.45Å; F102-I127 HydrophobicContact CD1-CD1 4.48Å; F102-I127 HydrophobicContact CD2-CD1 3.49Å; F102-I127 VanDerWaalsContact CD2-CD1 3.49Å; F102-I127 HydrophobicContact CE2-CD1 3.76Å; F102-I127 HydrophobicContact CG-CD1 3.89Å; F102-I127 HydrophobicContact CZ-CD1 4.36Å |
| 103 | I | 95 | Very high | 92.8 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.6 | 174.7 | 59.2 | 170.4 | 0 | 0 | 0 | 109 | Y72 I111 H112 T114 | Y72-I103 HydrophobicContact CD2-CD1 3.61Å; Y72-I103 HydrophobicContact CE2-CD1 3.55Å; I103-I111 WeakPolarHBondContact O-CA 3.04Å; I103-H112 HydrophobicContact CD1-CB 4.43Å; I103-H112 HydrophobicContact CG1-CB 3.99Å; I103-H112 PolarHBondContact N-O 2.83Å; I103-H112 PolarHBondContact O-N 3.17Å; I103-T114 HydrophobicContact CB-CG2 4.3Å; I103-T114 HydrophobicContact CD1-CG2 3.72Å; I103-T114 HydrophobicContact CG1-CG2 3.73Å; I103-T114 HydrophobicContact CG2-CG2 3.67Å |
| 104 | I | 94.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.3 | 176.6 | -171.5 | 162 | 0 | 0 | 0 | 109.3 | L78 L93 E106 D110 I111 | L78-I104 HydrophobicContact CB-CD1 4.24Å; L78-I104 HydrophobicContact CD2-CD1 4.3Å; L93-I104 HydrophobicContact CB-CG2 4.16Å; L93-I104 HydrophobicContact CD1-CB 3.71Å; L93-I104 HydrophobicContact CD1-CD1 4.36Å; L93-I104 HydrophobicContact CD1-CG2 4.12Å; L93-I104 HydrophobicContact CD2-CD1 4.04Å; L93-I104 HydrophobicContact CG-CB 3.74Å; L93-I104 HydrophobicContact CG-CD1 3.82Å; L93-I104 HydrophobicContact CG-CG1 4.39Å; L93-I104 HydrophobicContact CG-CG2 3.74Å; I104-E106 PolarHBondContact O-N 2.78Å; I104-D110 CarbonylContact C-O 3.53Å; I104-D110 WeakPolarHBondContact CA-O 2.94Å; I104-I111 HydrophobicContact CB-CG1 4.45Å; I104-I111 HydrophobicContact CD1-CD1 4.42Å; I104-I111 HydrophobicContact CD1-CG1 3.92Å; I104-I111 HydrophobicContact CG1-CG1 4.1Å |
| 105 | D | 93.9 | Very high | 92.7 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | trans | -74.9 | 117.2 | 162.5 | -173.5 | -25.4 | 0 | 0 | 0 | 108.6 | K107 T108 G109 D110 | D105-K107 PolarHBondContact O-N 2.92Å; D105-K107 PolarHBondContact OD1-N 3.42Å; D105-T108 WeakPolarHBondContact CB-OG1 3.35Å; D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.28Å; D105-G109 PolarHBondContact O-N 3.03Å; D105-D110 PolarHBondContact N-O 3.47Å | ||
| 106 | E | 92.7 | Very high | 92.5 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.9 | -178.4 | 141.1 | 171 | -158.9 | 0 | 0 | 113.5 | K90 Y91 I104 | K90-E106 HydrophobicContact CB-CG 4.04Å; K90-E106 VanDerWaalsContact CD-CD 3.48Å; K90-E106 HydrophobicContact CD-CG 4.18Å; K90-E106 WeakPolarHBondContact CD-OE1 3.45Å; K90-E106 WeakPolarHBondContact CE-OE1 3.32Å; K90-E106 WeakPolarHBondContact CE-OE2 3.42Å; K90-E106 HydrophobicContact CG-CB 4.35Å; K90-E106 HydrophobicContact CG-CG 3.66Å; K90-E106 VanDerWaalsContact CG-OE1 3.28Å; K90-E106 WeakPolarHBondContact CG-OE1 3.3Å; K90-E106 IonicContact NZ-OE1 3.91Å; K90-E106 PolarHBondContact NZ-OE1 3.14Å; K90-E106 IonicContact NZ-OE2 3.53Å; K90-E106 PolarHBondContact NZ-OE2 3.23Å; Y91-E106 WeakPolarHBondContact CD2-O 3.44Å; Y91-E106 PolarHBondContact N-O 3.18Å; Y91-E106 WeakPolarHBondContact O-CA 3.33Å; I104-E106 PolarHBondContact O-N 2.78Å |
| 107 | K | 89.8 | Confident | 92.4 | Very high | 158 Ų | 158 | 53.8 Ų | 53.8 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -40.3 | -174.7 | -63.3 | -177.8 | -178.8 | 179.9 | 0 | 112.5 | D105 | D105-K107 PolarHBondContact O-N 2.92Å; D105-K107 PolarHBondContact OD1-N 3.42Å |
| 108 | T | 90.8 | Very high | 92.4 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -26.2 | -176.8 | 70 | 0 | 0 | 0 | 0 | 112.4 | K77 D105 D110 | K77-T108 WeakPolarHBondContact CE-O 3.47Å; D105-T108 WeakPolarHBondContact CB-OG1 3.35Å; T108-D110 VanDerWaalsContact C-N 3.3Å; T108-D110 VanDerWaalsContact CB-OD2 3.25Å; T108-D110 WeakPolarHBondContact CB-OD2 3.44Å; T108-D110 WeakPolarHBondContact OG1-CB 3.23Å; T108-D110 PolarHBondContact OG1-N 2.91Å; T108-D110 PolarHBondContact OG1-OD2 2.61Å |
| 109 | G | 91.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | 80 | 9.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | K77 L78 D105 | K77-G109 CarbonylContact C-O 3.5Å; K77-G109 WeakPolarHBondContact CA-O 3.37Å; L78-G109 PolarHBondContact N-O 3.1Å; D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.28Å; D105-G109 PolarHBondContact O-N 3.03Å | ||
| 110 | D | 94.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.1 | 179.3 | -62.9 | -42.8 | 0 | 0 | 0 | 111 | Y74 K77 I104 D105 T108 | Y74-D110 HydrophobicContact CE2-CB 4.24Å; K77-D110 VanDerWaalsContact CD-OD1 3.25Å; K77-D110 WeakPolarHBondContact CD-OD1 3.25Å; K77-D110 VanDerWaalsContact CG-OD1 3.29Å; K77-D110 WeakPolarHBondContact CG-OD1 3.45Å; I104-D110 CarbonylContact C-O 3.53Å; I104-D110 WeakPolarHBondContact CA-O 2.94Å; D105-D110 PolarHBondContact N-O 3.47Å; T108-D110 VanDerWaalsContact C-N 3.3Å; T108-D110 VanDerWaalsContact CB-OD2 3.25Å; T108-D110 WeakPolarHBondContact CB-OD2 3.44Å; T108-D110 WeakPolarHBondContact OG1-CB 3.23Å; T108-D110 PolarHBondContact OG1-N 2.91Å; T108-D110 PolarHBondContact OG1-OD2 2.61Å |
| 111 | I | 94.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.4 | -175.1 | -53.6 | 174.4 | 0 | 0 | 0 | 109.3 | F61 V75 G76 L93 I103 I104 | F61-I111 HydrophobicContact CE2-CD1 4.05Å; F61-I111 HydrophobicContact CZ-CD1 4.44Å; V75-I111 HydrophobicContact CB-CB 4.12Å; V75-I111 HydrophobicContact CB-CG2 3.88Å; V75-I111 WeakPolarHBondContact CB-O 2.8Å; V75-I111 HydrophobicContact CG1-CG2 4.16Å; V75-I111 HydrophobicContact CG2-CG2 4.26Å; V75-I111 PolarHBondContact N-O 3.2Å; G76-I111 PolarHBondContact O-N 3.07Å; L93-I111 HydrophobicContact CD1-CD1 4.23Å; L93-I111 HydrophobicContact CD1-CG1 4.14Å; L93-I111 HydrophobicContact CD1-CG2 3.84Å; L93-I111 HydrophobicContact CD2-CD1 4.06Å; I103-I111 WeakPolarHBondContact O-CA 3.04Å; I104-I111 HydrophobicContact CB-CG1 4.45Å; I104-I111 HydrophobicContact CD1-CD1 4.42Å; I104-I111 HydrophobicContact CD1-CG1 3.92Å; I104-I111 HydrophobicContact CG1-CG1 4.1Å |
| 112 | H | 95 | Very high | 91.8 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 27% | 0.269 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.7 | 176.5 | -61.6 | 77.5 | 0 | 0 | 0 | 111.3 | Q73 Y74 F102 I103 | Q73-H112 CarbonylContact O-C 3.35Å; Q73-H112 VanDerWaalsContact O-CA 3.27Å; Q73-H112 WeakPolarHBondContact O-CA 3.25Å; Y74-H112 AromaticContact CD2-CE1 3.94Å; Y74-H112 AromaticContact CD2-NE2 3.68Å; F102-H112 WeakPolarHBondContact CA-O 3.29Å; I103-H112 HydrophobicContact CD1-CB 4.43Å; I103-H112 HydrophobicContact CG1-CB 3.99Å; I103-H112 PolarHBondContact N-O 2.83Å; I103-H112 PolarHBondContact O-N 3.17Å |
| 113 | A | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L63 Y72 Q73 V75 L101 F102 | L63-A113 HydrophobicContact CD2-CB 3.78Å; Y72-A113 CarbonylContact C-O 3.59Å; Y72-A113 WeakPolarHBondContact CA-O 3.4Å; Y72-A113 WeakPolarHBondContact CB-O 3.4Å; Q73-A113 HydrophobicContact CB-CB 4.32Å; Q73-A113 PolarHBondContact N-O 3.06Å; Q73-A113 PolarHBondContact O-N 3.03Å; V75-A113 HydrophobicContact CG2-CB 3.99Å; L101-A113 CarbonylContact O-C 3.58Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.15Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 HydrophobicContact CE1-CB 4.1Å |
| 114 | T | 91.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 22% | 0.221 | 37% | 0.372 | C | S | . | . | trans | -87.7 | -18.9 | -175.6 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | Y72 T100 L101 I103 | Y72-T114 HydrophobicContact CD1-CG2 4.2Å; Y72-T114 HydrophobicContact CE1-CG2 3.96Å; Y72-T114 HydrophobicContact CE2-CG2 4.33Å; Y72-T114 HydrophobicContact CG-CG2 4.47Å; T100-T114 PolarHBondContact O-OG1 2.89Å; L101-T114 PolarHBondContact O-N 3.33Å; L101-T114 PolarHBondContact O-OG1 3Å; I103-T114 HydrophobicContact CB-CG2 4.3Å; I103-T114 HydrophobicContact CD1-CG2 3.72Å; I103-T114 HydrophobicContact CG1-CG2 3.73Å; I103-T114 HydrophobicContact CG2-CG2 3.67Å | ||
| 115 | R | 89.6 | Confident | 91 | Very high | 142 Ų | 142 | 77.8 Ų | 77.8 | 54% | 0.536 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -133.6 | 155.2 | -175.9 | -70.1 | -172 | -77.1 | 160.4 | -4.5 | 110.3 | L101 | L101-R115 HydrophobicContact CD2-CB 3.92Š|
| 116 | R | 87.5 | Confident | 90.9 | Very high | 149 Ų | 149 | 80.2 Ų | 80.2 | 56% | 0.562 | 39% | 0.389 | S | S | * | . | trans | -65.6 | 139.5 | 174.7 | -53.7 | 179.6 | 72.4 | -152.8 | -1.6 | 109 | E66 Y67 | E66-R116 PolarHBondContact O-NE 3.43Å; E66-R116 PolarHBondContact O-NH2 3.15Å; Y67-R116 WeakPolarHBondContact O-CD 3.19Å; Y67-R116 VanDerWaalsContact O-CG 3.26Å; Y67-R116 WeakPolarHBondContact O-CG 3.32Å; Y67-R116 PolarHBondContact O-NE 2.9Å | ||
| 117 | I | 90.5 | Very high | 90.7 | Very high | 21 Ų | 21 | 79 Ų | 79 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | trans | -114.2 | 136.8 | 179.5 | -59.9 | 178.4 | 0 | 0 | 0 | 108.1 | L63 E66 L101 F102 F125 | L63-I117 HydrophobicContact CD2-CD1 3.57Å; E66-I117 PolarHBondContact N-O 3.38Å; L101-I117 HydrophobicContact CD2-CG1 4.11Å; F102-I117 HydrophobicContact CE1-CD1 3.87Å; F102-I117 HydrophobicContact CZ-CD1 3.63Å; I117-F125 HydrophobicContact CD1-CE2 3.92Å; I117-F125 HydrophobicContact CD1-CZ 4.41Å; I117-F125 HydrophobicContact CG2-CE2 3.81Å; I117-F125 HydrophobicContact CG2-CZ 4.22Å | ||
| 118 | D | 88.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 73 Ų | 73 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | trans | -112.4 | 129 | 173.1 | -169.5 | -0.7 | 0 | 0 | 0 | 108.7 | E120 D121 T122 | D118-E120 VanDerWaalsContact C-N 3.29Å; D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 PolarHBondContact OD1-N 3.46Å; D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-T122 PolarHBondContact O-N 2.86Å; D118-T122 VanDerWaalsContact O-N 3.15Å | ||
| 119 | R | 91.1 | Very high | 90.2 | Very high | 137 Ų | 137 | 74.5 Ų | 74.5 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -31.4 | -174.7 | 176 | -174.3 | 162.3 | -144.9 | -8.1 | 110.9 | D121 T122 Q123 | R119-D121 VanDerWaalsContact C-N 3.27Å; R119-D121 PolarHBondContact O-N 2.98Å; R119-T122 CarbonylContact O-C 3.52Å; R119-T122 PolarHBondContact O-N 3Å; R119-Q123 HydrophobicContact CG-CG 4.43Å; R119-Q123 PolarHBondContact O-N 3.4Å |
| 120 | E | 91.3 | Very high | 89.5 | Confident | 144 Ų | 144 | 79.3 Ų | 79.3 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.5 | 178.2 | -79.2 | 64.2 | -161.1 | 0 | 0 | 111.2 | D118 | D118-E120 VanDerWaalsContact C-N 3.29Å; D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 PolarHBondContact OD1-N 3.46Å |
| 121 | D | 89.7 | Confident | 88.6 | Confident | 134 Ų | 134 | 81.2 Ų | 81.2 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -46.1 | 174.2 | -78.3 | -15 | 0 | 0 | 0 | 111.7 | D118 R119 | D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.45Å; R119-D121 VanDerWaalsContact C-N 3.27Å; R119-D121 PolarHBondContact O-N 2.98Å |
| 122 | T | 86.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 83.6 Ų | 83.6 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | trans | -150.1 | 110.5 | -178.8 | -57 | 0 | 0 | 0 | 0 | 111.2 | D118 R119 A124 F125 | D118-T122 PolarHBondContact O-N 2.86Å; D118-T122 VanDerWaalsContact O-N 3.15Å; R119-T122 CarbonylContact O-C 3.52Å; R119-T122 PolarHBondContact O-N 3Å; T122-A124 VanDerWaalsContact CG2-O 3.22Å; T122-A124 WeakPolarHBondContact CG2-O 3.3Å; T122-A124 PolarHBondContact O-N 2.99Å; T122-F125 HydrophobicContact CG2-CD1 4.14Å; T122-F125 HydrophobicContact CG2-CD2 4.31Å; T122-F125 HydrophobicContact CG2-CE1 3.77Å; T122-F125 HydrophobicContact CG2-CE2 3.93Å; T122-F125 HydrophobicContact CG2-CG 4.4Å; T122-F125 HydrophobicContact CG2-CZ 3.66Å | ||
| 123 | Q | 87.6 | Confident | 85.4 | Confident | 156 Ų | 156 | 85.3 Ų | 85.3 | 73% | 0.729 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -71.7 | -29.9 | -177.3 | -173 | 175.4 | 15.6 | 0 | 0 | 113.5 | R119 | R119-Q123 HydrophobicContact CG-CG 4.43Å; R119-Q123 PolarHBondContact O-N 3.4Å |
| 124 | A | 90.1 | Very high | 83.5 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | trans | -155.3 | 151.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T122 | T122-A124 VanDerWaalsContact CG2-O 3.22Å; T122-A124 WeakPolarHBondContact CG2-O 3.3Å; T122-A124 PolarHBondContact O-N 2.99Å | ||
| 125 | F | 90.5 | Very high | 81.7 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 25% | 0.254 | 46% | 0.458 | S | S | . | . | trans | -114.1 | 130.2 | 175.7 | -64.7 | -90.7 | 0 | 0 | 0 | 109.4 | D96 L101 F102 I117 T122 I127 | D96-F125 HydrophobicContact CB-CB 4.49Å; D96-F125 HydrophobicContact CB-CD1 4.22Å; L101-F125 HydrophobicContact CD1-CE1 4.44Å; F102-F125 HydrophobicContact CE2-CB 3.95Å; F102-F125 AromaticContact CE2-CD1 3.79Å; F102-F125 HydrophobicContact CE2-CD1 3.79Å; F102-F125 AromaticContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CE1 4.25Å; F102-F125 HydrophobicContact CE2-CE2 4.32Å; F102-F125 AromaticContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CZ 4.49Å; F102-F125 HydrophobicContact CZ-CB 4.4Å; F102-F125 HydrophobicContact CZ-CD1 4.43Å; F102-F125 AromaticContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CE2 4.03Å; F102-F125 AromaticContact CZ-CG 3.91Å; F102-F125 HydrophobicContact CZ-CG 3.91Å; I117-F125 HydrophobicContact CD1-CE2 3.92Å; I117-F125 HydrophobicContact CD1-CZ 4.41Å; I117-F125 HydrophobicContact CG2-CE2 3.81Å; I117-F125 HydrophobicContact CG2-CZ 4.22Å; T122-F125 HydrophobicContact CG2-CD1 4.14Å; T122-F125 HydrophobicContact CG2-CD2 4.31Å; T122-F125 HydrophobicContact CG2-CE1 3.77Å; T122-F125 HydrophobicContact CG2-CE2 3.93Å; T122-F125 HydrophobicContact CG2-CG 4.4Å; T122-F125 HydrophobicContact CG2-CZ 3.66Å; F125-I127 HydrophobicContact CB-CD1 4.14Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 PolarHBondContact O-N 3.17Å | ||
| 126 | D | 90.7 | Very high | 80 | Confident | 128 Ų | 128 | 84.5 Ų | 84.5 | 68% | 0.684 | 45% | 0.451 | S | S | * | . | trans | -87.2 | 105.3 | 173.2 | -168.5 | 9.3 | 0 | 0 | 0 | 109.7 | D96 | D96-D126 PolarHBondContact N-O 2.84Š| ||
| 127 | I | 89.3 | Confident | 78.3 | Confident | 54 Ų | 54 | 85.5 Ų | 85.5 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.7 | -174.4 | -56.5 | -179.7 | 0 | 0 | 0 | 108.9 | L93 S94 F102 F125 | L93-I127 HydrophobicContact CB-CG2 4.39Å; L93-I127 HydrophobicContact CD2-CG2 3.83Å; S94-I127 CarbonylContact O-C 3.59Å; S94-I127 WeakPolarHBondContact O-CA 3.27Å; S94-I127 WeakPolarHBondContact O-CG2 3.39Å; F102-I127 HydrophobicContact CB-CD1 4.45Å; F102-I127 HydrophobicContact CD1-CD1 4.48Å; F102-I127 HydrophobicContact CD2-CD1 3.49Å; F102-I127 VanDerWaalsContact CD2-CD1 3.49Å; F102-I127 HydrophobicContact CE2-CD1 3.76Å; F102-I127 HydrophobicContact CG-CD1 3.89Å; F102-I127 HydrophobicContact CZ-CD1 4.36Å; F125-I127 HydrophobicContact CB-CD1 4.14Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 PolarHBondContact O-N 3.17Å |
| 128 | G | 84.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 90.8 Ų | 90.8 | 34% | 0.34 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 146.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S94 | S94-G128 PolarHBondContact N-O 3.2Å; S94-G128 PolarHBondContact O-N 3.09Å; S94-G128 VanDerWaalsContact O-O 3.07Å |
| 129 | T | 84.5 | Confident | 74.7 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.6 | 172.6 | 60.4 | 0 | 0 | 0 | 0 | 109.5 | L78 L93 | L78-T129 HydrophobicContact CD1-CG2 4.05Å; L78-T129 HydrophobicContact CD2-CG2 3.68Å; L78-T129 HydrophobicContact CG-CG2 4.48Å; L93-T129 HydrophobicContact CD2-CG2 3.95Å |
| 130 | L | 77.6 | Confident | 72.8 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143 | 175.7 | -63.5 | 176.3 | 0 | 0 | 0 | 109.4 | I92 | I92-L130 HydrophobicContact CB-CB 4.26Å; I92-L130 PolarHBondContact N-O 3.08Å; I92-L130 PolarHBondContact O-N 2.77Å |
| 131 | R | 75.1 | Confident | 71.1 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 30% | 0.302 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 153.6 | 169.6 | 70.8 | -176.4 | -172.9 | -150.8 | 8.4 | 109.8 | S80 | S80-R131 PolarHBondContact OG-NH1 3.38Å |
| 132 | N | 66.3 | Low | 69.3 | Low | 56 Ų | 56 | 96.6 Ų | 96.6 | 30% | 0.299 | 50% | 0.504 | S | S | . | . | trans | -51.2 | 127.1 | 179.5 | -176.2 | 1 | 0 | 0 | 0 | 112.2 | K90 A134 A135 | K90-N132 HydrophobicContact CB-CB 4.45Å; N132-A134 PolarHBondContact O-N 3.05Å; N132-A134 PolarHBondContact OD1-N 3.09Å; N132-A135 PolarHBondContact O-N 2.84Å; N132-A135 VanDerWaalsContact O-N 3.14Å | ||
| 133 | P | 57.1 | Low | 68.3 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -61.9 | -21.3 | 176.1 | 24.3 | -34.4 | 0 | 0 | 0 | 115 | A135 I136 | P133-A135 PolarHBondContact O-N 3.28Å; P133-I136 HydrophobicContact CB-CD1 4Å; P133-I136 VanDerWaalsContact O-CB 3.3Å; P133-I136 WeakPolarHBondContact O-CB 3.18Å; P133-I136 PolarHBondContact O-N 3.3Å |
| 134 | A | 54.7 | Low | 67.4 | Low | 71 Ų | 71 | 98.9 Ų | 98.9 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -61.1 | -24.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | N132 | N132-A134 PolarHBondContact O-N 3.05Å; N132-A134 PolarHBondContact OD1-N 3.09Å |
| 135 | A | 53 | Low | 66.3 | Low | 17 Ų | 17 | 98.7 Ų | 98.7 | 14% | 0.14 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -92 | -7.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q82 L89 N132 P133 E137 | Q82-A135 PolarHBondContact NE2-O 3.43Å; Q82-A135 PolarHBondContact OE1-O 3.44Å; L89-A135 HydrophobicContact CD2-CB 3.14Å; N132-A135 PolarHBondContact O-N 2.84Å; N132-A135 VanDerWaalsContact O-N 3.14Å; P133-A135 PolarHBondContact O-N 3.28Å; A135-E137 PolarHBondContact O-N 2.65Å |
| 136 | I | 53.9 | Low | 65.2 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -72.6 | -11.7 | 177.6 | -65.3 | 177.1 | 0 | 0 | 0 | 111.6 | P133 E138 K139 | P133-I136 HydrophobicContact CB-CD1 4Å; P133-I136 VanDerWaalsContact O-CB 3.3Å; P133-I136 WeakPolarHBondContact O-CB 3.18Å; P133-I136 PolarHBondContact O-N 3.3Å; I136-E138 PolarHBondContact O-N 2.99Å; I136-K139 HydrophobicContact CG2-CB 4.28Å; I136-K139 WeakPolarHBondContact O-CB 3.22Å; I136-K139 PolarHBondContact O-N 3.21Å |
| 137 | E | 52.6 | Low | 63.9 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 80% | 0.799 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -56 | -24.4 | 179.9 | -66.4 | -156.4 | 164.5 | 0 | 0 | 113.8 | A135 | A135-E137 PolarHBondContact O-N 2.65Š|
| 138 | E | 52.2 | Low | 62.5 | Low | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -83.6 | -8.4 | 176.1 | -67.1 | -170.9 | 161.5 | 0 | 0 | 114.9 | Q82 I136 K140 L141 | Q82-E138 PolarHBondContact NE2-OE2 3.08Å; I136-E138 PolarHBondContact O-N 2.99Å; E138-K140 PolarHBondContact O-N 3.33Å; E138-L141 PolarHBondContact O-N 3.29Å |
| 139 | K | 50.3 | Low | 61.3 | Low | 148 Ų | 148 | 105.6 Ų | 105.6 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -71.8 | 3.9 | 179.9 | -146.6 | -178.8 | -178.4 | -178.1 | 0 | 113.8 | I136 L141 | I136-K139 HydrophobicContact CG2-CB 4.28Å; I136-K139 WeakPolarHBondContact O-CB 3.22Å; I136-K139 PolarHBondContact O-N 3.21Å; K139-L141 PolarHBondContact O-N 3.27Å |
| 140 | K | 52.3 | Low | 59.9 | Low | 163 Ų | 163 | 104.9 Ų | 104.9 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -70 | 3.1 | 165.1 | -82.3 | -172.4 | 179.3 | 178.6 | 0 | 114.3 | E138 R142 R143 | E138-K140 PolarHBondContact O-N 3.33Å; K140-R142 VanDerWaalsContact C-N 3.29Å; K140-R143 VanDerWaalsContact O-CG 3.25Å; K140-R143 WeakPolarHBondContact O-CG 3.48Å |
| 141 | L | 54.3 | Low | 58.8 | Low | 104 Ų | 104 | 106.9 Ų | 106.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -68.5 | -29.7 | 174 | -140.3 | 87 | 0 | 0 | 0 | 112.6 | E138 K139 R143 T190 | E138-L141 PolarHBondContact O-N 3.29Å; K139-L141 PolarHBondContact O-N 3.27Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-T190 WeakPolarHBondContact CD2-O 3.49Å |
| 142 | R | 53.4 | Low | 58.1 | Low | 175 Ų | 175 | 109.3 Ų | 109.3 | 66% | 0.66 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 97.1 | 165.4 | -79.2 | -168.7 | 175.9 | -178.8 | -0.8 | 108.4 | K140 | K140-R142 VanDerWaalsContact C-N 3.29Å |
| 143 | R | 64.1 | Low | 57.5 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 61% | 0.611 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 106.1 | 169.9 | -59.4 | -173.6 | 179.4 | 121.1 | -0.5 | 106.5 | K140 L141 I145 S187 L188 | K140-R143 VanDerWaalsContact O-CG 3.25Å; K140-R143 WeakPolarHBondContact O-CG 3.48Å; L141-R143 PolarHBondContact O-N 2.98Å; R143-I145 PolarHBondContact O-N 3.44Å; R143-I145 VanDerWaalsContact O-N 3.1Å; R143-S187 WeakPolarHBondContact O-CA 3.29Å; R143-L188 PolarHBondContact O-N 3.12Å; R143-L188 VanDerWaalsContact O-N 3.09Å |
| 144 | D | 68.1 | Low | 57.4 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -55.2 | 113.1 | 167.3 | -69.7 | -0.5 | 0 | 0 | 0 | 107.1 | I146 Y185 | D144-I146 PolarHBondContact O-N 3.15Å; D144-Y185 HydrophobicContact CB-CD2 4.25Å |
| 145 | I | 67.9 | Low | 57.6 | Low | 75 Ų | 75 | 123 Ų | 123 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 109 | 175 | -51 | 167.9 | 0 | 0 | 0 | 106 | R143 P147 D186 L188 | R143-I145 PolarHBondContact O-N 3.44Å; R143-I145 VanDerWaalsContact O-N 3.1Å; I145-P147 WeakPolarHBondContact O-CD 3.33Å; I145-D186 PolarHBondContact N-O 3.25Å; I145-L188 HydrophobicContact CD1-CD1 3.68Å; I145-L188 HydrophobicContact CD1-CD2 3.38Å; I145-L188 HydrophobicContact CD1-CG 3.23Å; I145-L188 HydrophobicContact CG1-CD1 3.95Å; I145-L188 HydrophobicContact CG1-CD2 4.31Å; I145-L188 HydrophobicContact CG1-CG 3.62Å |
| 146 | I | 67.6 | Low | 57.8 | Low | 66 Ų | 66 | 128.3 Ų | 128.3 | 34% | 0.338 | 61% | 0.608 | S | S | . | * | trans | -80.9 | 118.1 | 161.7 | -53.8 | 173.1 | 0 | 0 | 0 | 105.6 | D144 E148 F151 Y185 | D144-I146 PolarHBondContact O-N 3.15Å; I146-E148 PolarHBondContact O-N 3.18Å; I146-F151 HydrophobicContact CB-CE2 4.24Å; I146-F151 HydrophobicContact CB-CZ 4.15Å; I146-F151 HydrophobicContact CD1-CZ 4.15Å; I146-F151 HydrophobicContact CG2-CE1 4.47Å; I146-F151 HydrophobicContact CG2-CE2 3.64Å; I146-F151 HydrophobicContact CG2-CZ 3.55Å; I146-Y185 HydrophobicContact CD1-CE2 4.16Å; I146-Y185 HydrophobicContact CG1-CD1 4.38Å; I146-Y185 HydrophobicContact CG1-CD2 3.97Å; I146-Y185 HydrophobicContact CG1-CE1 4.31Å; I146-Y185 HydrophobicContact CG1-CE2 3.86Å; I146-Y185 HydrophobicContact CG1-CG 4.24Å; I146-Y185 HydrophobicContact CG2-CE1 4.39Å | ||
| 147 | P | 62.3 | Low | 58 | Low | 56 Ų | 56 | 128.5 Ų | 128.5 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | trans | -55.6 | 118.5 | 174.6 | -19.3 | 29.2 | 0 | 0 | 0 | 109.1 | I145 T149 L150 | I145-P147 WeakPolarHBondContact O-CD 3.33Å; P147-T149 PolarHBondContact O-N 3.04Å; P147-L150 HydrophobicContact CB-CD1 3.93Å; P147-L150 HydrophobicContact CB-CG 4.18Å; P147-L150 HydrophobicContact CG-CD1 3.75Å; P147-L150 PolarHBondContact O-N 3.19Å; P147-L150 VanDerWaalsContact O-N 3.08Å | ||
| 148 | E | 60.5 | Low | 58.6 | Low | 178 Ų | 178 | 126.8 Ų | 126.8 | 83% | 0.832 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -57 | -21.1 | -177.9 | -69.7 | -179.8 | 167.8 | 0 | 0 | 112.6 | I146 L150 | I146-E148 PolarHBondContact O-N 3.18Å; E148-L150 PolarHBondContact O-N 3.31Å |
| 149 | T | 58.6 | Low | 59 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -72.2 | -5.2 | 178.9 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | P147 | P147-T149 PolarHBondContact O-N 3.04Š|
| 150 | L | 55.2 | Low | 59.8 | Low | 61 Ų | 61 | 121 Ų | 121 | 32% | 0.319 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -101.3 | -6.9 | -175.9 | -65.1 | 174.2 | 0 | 0 | 0 | 114.6 | P147 E148 I152 T181 | P147-L150 HydrophobicContact CB-CD1 3.93Å; P147-L150 HydrophobicContact CB-CG 4.18Å; P147-L150 HydrophobicContact CG-CD1 3.75Å; P147-L150 PolarHBondContact O-N 3.19Å; P147-L150 VanDerWaalsContact O-N 3.08Å; E148-L150 PolarHBondContact O-N 3.31Å; L150-I152 PolarHBondContact O-N 3.49Å; L150-T181 HydrophobicContact CB-CG2 3.8Å; L150-T181 HydrophobicContact CD1-CG2 4.01Å; L150-T181 HydrophobicContact CD2-CG2 4.04Å; L150-T181 HydrophobicContact CG-CG2 4.14Å |
| 151 | F | 55.7 | Low | 60.4 | Low | 142 Ų | 142 | 120.4 Ų | 120.4 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | trans | -78.9 | 43.3 | 177.3 | -66 | -78.3 | 0 | 0 | 0 | 113.2 | I146 P153 | I146-F151 HydrophobicContact CB-CE2 4.24Å; I146-F151 HydrophobicContact CB-CZ 4.15Å; I146-F151 HydrophobicContact CD1-CZ 4.15Å; I146-F151 HydrophobicContact CG2-CE1 4.47Å; I146-F151 HydrophobicContact CG2-CE2 3.64Å; I146-F151 HydrophobicContact CG2-CZ 3.55Å; F151-P153 WeakPolarHBondContact O-CD 3.38Å | ||
| 152 | I | 59.8 | Low | 60.9 | Low | 132 Ų | 132 | 122.9 Ų | 122.9 | 68% | 0.677 | 63% | 0.629 | S | S | * | * | trans | -76.1 | 123.5 | 167.6 | -56.6 | 175.2 | 0 | 0 | 0 | 106.4 | L150 R154 | L150-I152 PolarHBondContact O-N 3.49Å; I152-R154 PolarHBondContact O-N 3.48Å | ||
| 153 | P | 53.1 | Low | 61.7 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | trans | -60.8 | 103.1 | 171.2 | -14.2 | 26.7 | 0 | 0 | 0 | 108.1 | F151 R155 | F151-P153 WeakPolarHBondContact O-CD 3.38Å; P153-R155 VanDerWaalsContact C-N 3.33Å; P153-R155 PolarHBondContact O-N 2.85Å | ||
| 154 | R | 56.7 | Low | 62.6 | Low | 163 Ų | 163 | 114.5 Ų | 114.5 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -65.5 | 98.6 | 170 | -106.2 | 178.6 | 166.5 | 161.6 | -8.4 | 106.5 | I152 T156 D179 | I152-R154 PolarHBondContact O-N 3.48Å; R154-T156 PolarHBondContact O-N 3.41Å; R154-D179 IonicContact NH1-OD1 3.69Å; R154-D179 IonicContact NH1-OD2 3.1Å; R154-D179 PolarHBondContact NH1-OD2 3.08Å; R154-D179 VanDerWaalsContact NH1-OD2 3.1Å | ||
| 155 | R | 58.7 | Low | 63.5 | Low | 232 Ų | 232 | 114.4 Ų | 114.4 | 88% | 0.875 | 62% | 0.615 | S | S | * | * | trans | -60 | 119.8 | 168 | -70 | -176.7 | 176 | 173.2 | -1 | 106.6 | P153 P157 | P153-R155 VanDerWaalsContact C-N 3.33Å; P153-R155 PolarHBondContact O-N 2.85Å; R155-P157 WeakPolarHBondContact O-CD 3.46Å; R155-P157 VanDerWaalsContact O-N 3.16Å | ||
| 156 | T | 56.6 | Low | 64.3 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 78% | 0.779 | 63% | 0.629 | S | S | * | * | trans | -59.9 | 114.7 | 167.1 | 46 | 0 | 0 | 0 | 0 | 107.7 | R154 T158 | R154-T156 PolarHBondContact O-N 3.41Å; T156-T158 PolarHBondContact O-N 3.27Å | ||
| 157 | P | 59 | Low | 65.2 | Low | 80 Ų | 80 | 120.9 Ų | 120.9 | 52% | 0.519 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 128.3 | 168 | -13.5 | 25.6 | 0 | 0 | 0 | 108.2 | R155 A159 R172 | R155-P157 WeakPolarHBondContact O-CD 3.46Å; R155-P157 VanDerWaalsContact O-N 3.16Å; P157-A159 PolarHBondContact O-N 2.93Å; P157-R172 VanDerWaalsContact CD-NH2 3.31Å |
| 158 | T | 63.9 | Low | 66.4 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 83% | 0.828 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 127.5 | 169.1 | 41.1 | 0 | 0 | 0 | 0 | 108.8 | T156 | T156-T158 PolarHBondContact O-N 3.27Š|
| 159 | A | 61.9 | Low | 67.7 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 57% | 0.57 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P157 D161 F168 | P157-A159 PolarHBondContact O-N 2.93Å; A159-D161 PolarHBondContact O-N 3.08Å; A159-F168 HydrophobicContact CB-CE2 4.42Å |
| 160 | P | 65.7 | Low | 69.1 | Low | 89 Ų | 89 | 116.2 Ų | 116.2 | 58% | 0.578 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 124.2 | 170.9 | 5.8 | 1.8 | 0 | 0 | 0 | 108.7 | N162 T163 | P160-N162 PolarHBondContact O-N 2.99Å; P160-T163 PolarHBondContact O-N 3.18Å; P160-T163 PolarHBondContact O-OG1 3.13Å |
| 161 | D | 64.4 | Low | 70.7 | Confident | 151 Ų | 151 | 119 Ų | 119 | 81% | 0.807 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 120.3 | 175.4 | -162.5 | 19.4 | 0 | 0 | 0 | 108.6 | A159 | A159-D161 PolarHBondContact O-N 3.08Š|
| 162 | N | 65.1 | Low | 72.1 | Confident | 156 Ų | 156 | 115.3 Ų | 115.3 | 83% | 0.834 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | 27.4 | -174.5 | -50 | -68.6 | 0 | 0 | 0 | 119.5 | P160 | P160-N162 PolarHBondContact O-N 2.99Š|
| 163 | T | 70.1 | Confident | 73.5 | Confident | 62 Ų | 62 | 113.4 Ų | 113.4 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | trans | -90.5 | 138.3 | 171.7 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | P160 V165 | P160-T163 PolarHBondContact O-N 3.18Å; P160-T163 PolarHBondContact O-OG1 3.13Å; T163-V165 PolarHBondContact O-N 3.19Å | ||
| 164 | D | 84.5 | Confident | 75.2 | Confident | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | trans | -58 | 120.6 | 172.1 | -176.1 | -4.4 | 0 | 0 | 0 | 109.5 | R166 D167 F168 | D164-R166 PolarHBondContact O-N 2.91Å; D164-R166 PolarHBondContact OD1-N 3.3Å; D164-R166 VanDerWaalsContact OD1-N 3.09Å; D164-D167 HydrophobicContact CB-CB 4.44Å; D164-D167 PolarHBondContact O-N 2.83Å; D164-D167 VanDerWaalsContact O-N 3.08Å; D164-F168 PolarHBondContact O-N 3.38Å | ||
| 165 | V | 85.7 | Confident | 76.7 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 59% | 0.594 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.9 | -34.3 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 111 | T163 I169 | T163-V165 PolarHBondContact O-N 3.19Å; V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.3Å; V165-I169 WeakPolarHBondContact O-CB 3.45Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.1Å |
| 166 | R | 85.3 | Confident | 78 | Confident | 183 Ų | 183 | 105 Ų | 105 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.2 | -46.3 | 178.4 | 172.9 | 172.2 | -90.8 | 171.6 | -6.5 | 111.3 | D164 I169 N170 | D164-R166 PolarHBondContact O-N 2.91Å; D164-R166 PolarHBondContact OD1-N 3.3Å; D164-R166 VanDerWaalsContact OD1-N 3.09Å; R166-I169 PolarHBondContact O-N 2.84Å; R166-N170 WeakPolarHBondContact O-CB 3.25Å; R166-N170 VanDerWaalsContact O-CG 3.22Å; R166-N170 PolarHBondContact O-N 2.62Å; R166-N170 PolarHBondContact O-ND2 3.46Å; R166-N170 VanDerWaalsContact O-ND2 3.09Å |
| 167 | D | 86.9 | Confident | 79.5 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | -179.6 | -69.7 | -16.6 | 0 | 0 | 0 | 111 | D164 I169 N170 E171 | D164-D167 HydrophobicContact CB-CB 4.44Å; D164-D167 PolarHBondContact O-N 2.83Å; D164-D167 VanDerWaalsContact O-N 3.08Å; D167-I169 PolarHBondContact O-N 3.31Å; D167-N170 PolarHBondContact O-N 3.21Å; D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.29Å; D167-E171 PolarHBondContact O-N 2.77Å |
| 168 | F | 86.8 | Confident | 80.7 | Confident | 69 Ų | 69 | 107.2 Ų | 107.2 | 30% | 0.303 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59 | -45.1 | 174.1 | 177.4 | -98.6 | 0 | 0 | 0 | 112.7 | A159 D164 R172 | A159-F168 HydrophobicContact CB-CE2 4.42Å; D164-F168 PolarHBondContact O-N 3.38Å; F168-R172 HydrophobicContact CE1-CG 4.18Å; F168-R172 HydrophobicContact CE2-CG 4.26Å; F168-R172 HydrophobicContact CZ-CG 4.03Å; F168-R172 WeakPolarHBondContact O-CB 3.36Å; F168-R172 WeakPolarHBondContact O-CG 3.22Å; F168-R172 PolarHBondContact O-N 3.09Å |
| 169 | I | 87.5 | Confident | 81.6 | Confident | 97 Ų | 97 | 102.2 Ų | 102.2 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177.9 | -68.7 | 168.1 | 0 | 0 | 0 | 110.5 | V165 R166 D167 R172 L173 | V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.3Å; V165-I169 WeakPolarHBondContact O-CB 3.45Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.1Å; R166-I169 PolarHBondContact O-N 2.84Å; D167-I169 PolarHBondContact O-N 3.31Å; I169-R172 PolarHBondContact O-N 2.75Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.1Å |
| 170 | N | 89.3 | Confident | 82.6 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 179.9 | -72.1 | -31 | 0 | 0 | 0 | 112.3 | R166 D167 K174 | R166-N170 WeakPolarHBondContact O-CB 3.25Å; R166-N170 VanDerWaalsContact O-CG 3.22Å; R166-N170 PolarHBondContact O-N 2.62Å; R166-N170 PolarHBondContact O-ND2 3.46Å; R166-N170 VanDerWaalsContact O-ND2 3.09Å; D167-N170 PolarHBondContact O-N 3.21Å; N170-K174 WeakPolarHBondContact O-CB 3.13Å; N170-K174 PolarHBondContact O-N 2.92Å; N170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 88.2 | Confident | 83.2 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -48.7 | 175.1 | -175.9 | 173 | -159 | 0 | 0 | 110.8 | D167 L173 K174 E175 | D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.29Å; D167-E171 PolarHBondContact O-N 2.77Å; E171-L173 PolarHBondContact O-N 3.24Å; E171-K174 PolarHBondContact O-N 2.96Å; E171-E175 WeakPolarHBondContact O-CG 3.47Å; E171-E175 PolarHBondContact O-N 3.12Å |
| 172 | R | 85.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 97 Ų | 97 | 24% | 0.242 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 176.3 | -77.6 | -69.5 | 180 | -149.9 | -7.8 | 113.1 | P157 F168 I169 K174 E175 H176 | P157-R172 VanDerWaalsContact CD-NH2 3.31Å; F168-R172 HydrophobicContact CE1-CG 4.18Å; F168-R172 HydrophobicContact CE2-CG 4.26Å; F168-R172 HydrophobicContact CZ-CG 4.03Å; F168-R172 WeakPolarHBondContact O-CB 3.36Å; F168-R172 WeakPolarHBondContact O-CG 3.22Å; F168-R172 PolarHBondContact O-N 3.09Å; I169-R172 PolarHBondContact O-N 2.75Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.23Å; R172-E175 IonicContact CZ-OE2 2.75Å; R172-E175 IonicContact NE-OE2 2.65Å; R172-E175 IonicContact NH1-OE2 2.67Å; R172-E175 PolarHBondContact NH1-OE2 3.26Å; R172-E175 PolarHBondContact O-N 2.86Å; R172-H176 PolarHBondContact O-CD2 3.43Å; R172-H176 PolarHBondContact O-N 2.91Å |
| 173 | L | 89 | Confident | 84.6 | Confident | 92 Ų | 92 | 94.1 Ų | 94.1 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 176.8 | 179.6 | 61.5 | 0 | 0 | 0 | 110.4 | I169 E171 E175 H176 D177 | I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.1Å; E171-L173 PolarHBondContact O-N 3.24Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.96Å; L173-H176 PolarHBondContact O-N 2.6Å; L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 VanDerWaalsContact O-CG 3.24Å; L173-D177 PolarHBondContact O-N 3.06Å |
| 174 | K | 88.9 | Confident | 85 | Confident | 145 Ų | 145 | 97.2 Ų | 97.2 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -37 | 178.4 | -171.7 | -179.5 | 178.7 | -175.2 | 0 | 113.1 | N170 E171 R172 H176 L178 | N170-K174 WeakPolarHBondContact O-CB 3.13Å; N170-K174 PolarHBondContact O-N 2.92Å; N170-K174 VanDerWaalsContact O-N 3.08Å; E171-K174 PolarHBondContact O-N 2.96Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.23Å; K174-H176 VanDerWaalsContact C-N 3.33Å; K174-L178 HydrophobicContact CG-CD1 4.37Å; K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.97Å |
| 175 | E | 86.8 | Confident | 84.7 | Confident | 76 Ų | 76 | 96 Ų | 96 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.6 | -75.7 | -178 | 163.1 | 0 | 0 | 112.6 | E171 R172 L173 | E171-E175 WeakPolarHBondContact O-CG 3.47Å; E171-E175 PolarHBondContact O-N 3.12Å; R172-E175 IonicContact CZ-OE2 2.75Å; R172-E175 IonicContact NE-OE2 2.65Å; R172-E175 IonicContact NH1-OE2 2.67Å; R172-E175 PolarHBondContact NH1-OE2 3.26Å; R172-E175 PolarHBondContact O-N 2.86Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.96Å |
| 176 | H | 86.6 | Confident | 84.5 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.2 | -34.4 | -179.4 | -81.1 | -70.8 | 0 | 0 | 0 | 113 | R172 L173 K174 L178 D179 | R172-H176 PolarHBondContact O-CD2 3.43Å; R172-H176 PolarHBondContact O-N 2.91Å; L173-H176 PolarHBondContact O-N 2.6Å; K174-H176 VanDerWaalsContact C-N 3.33Å; H176-L178 PolarHBondContact O-N 3.43Å; H176-D179 VanDerWaalsContact O-CB 3.22Å; H176-D179 WeakPolarHBondContact O-CB 3.28Å; H176-D179 PolarHBondContact O-N 3.29Å; H176-D179 VanDerWaalsContact O-N 3.15Å |
| 177 | D | 88 | Confident | 84.1 | Confident | 121 Ų | 121 | 91.4 Ų | 91.4 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -23.9 | 176.8 | -74.3 | -16.5 | 0 | 0 | 0 | 112.7 | L173 | L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 VanDerWaalsContact O-CG 3.24Å; L173-D177 PolarHBondContact O-N 3.06Å |
| 178 | L | 84.3 | Confident | 83.7 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 13.5 | 178.8 | -62.3 | 175 | 0 | 0 | 0 | 112.9 | K174 H176 P180 | K174-L178 HydrophobicContact CG-CD1 4.37Å; K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.97Å; H176-L178 PolarHBondContact O-N 3.43Å; L178-P180 WeakPolarHBondContact O-CD 3.27Å |
| 179 | D | 84 | Confident | 83.1 | Confident | 31 Ų | 31 | 90.2 Ų | 90.2 | 17% | 0.166 | 49% | 0.489 | C | S | . | . | trans | -72.6 | 110.7 | -176.4 | -165.9 | -17.2 | 0 | 0 | 0 | 111.8 | R154 H176 T181 A182 | R154-D179 IonicContact NH1-OD1 3.69Å; R154-D179 IonicContact NH1-OD2 3.1Å; R154-D179 PolarHBondContact NH1-OD2 3.08Å; R154-D179 VanDerWaalsContact NH1-OD2 3.1Å; H176-D179 VanDerWaalsContact O-CB 3.22Å; H176-D179 WeakPolarHBondContact O-CB 3.28Å; H176-D179 PolarHBondContact O-N 3.29Å; H176-D179 VanDerWaalsContact O-N 3.15Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 WeakPolarHBondContact OD1-CA 3.5Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.4Å; D179-T181 PolarHBondContact OD1-N 2.89Å; D179-T181 PolarHBondContact OD1-OG1 2.94Å; D179-T181 PolarHBondContact OD2-OG1 3.05Å; D179-A182 HydrophobicContact CB-CB 4.41Å; D179-A182 WeakPolarHBondContact O-CB 3.42Å; D179-A182 PolarHBondContact O-N 2.74Å | ||
| 180 | P | 81.3 | Confident | 82.6 | Confident | 101 Ų | 101 | 89.1 Ų | 89.1 | 66% | 0.656 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.2 | 178.5 | 33.9 | -36.9 | 0 | 0 | 0 | 112.8 | L178 A182 | L178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-A182 VanDerWaalsContact C-N 3.31Å |
| 181 | T | 79.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 94.7 Ų | 94.7 | 28% | 0.282 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.4 | 175.3 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | L150 D179 Y185 | L150-T181 HydrophobicContact CB-CG2 3.8Å; L150-T181 HydrophobicContact CD1-CG2 4.01Å; L150-T181 HydrophobicContact CD2-CG2 4.04Å; L150-T181 HydrophobicContact CG-CG2 4.14Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 WeakPolarHBondContact OD1-CA 3.5Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.4Å; D179-T181 PolarHBondContact OD1-N 2.89Å; D179-T181 PolarHBondContact OD1-OG1 2.94Å; D179-T181 PolarHBondContact OD2-OG1 3.05Å; T181-Y185 VanDerWaalsContact O-CE1 3.28Å; T181-Y185 WeakPolarHBondContact O-CE1 3.36Å; T181-Y185 PolarHBondContact O-OH 3.21Å |
| 182 | A | 79 | Confident | 81.7 | Confident | 51 Ų | 51 | 93.6 Ų | 93.6 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -69.7 | 139.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D179 P180 | D179-A182 HydrophobicContact CB-CB 4.41Å; D179-A182 WeakPolarHBondContact O-CB 3.42Å; D179-A182 PolarHBondContact O-N 2.74Å; P180-A182 VanDerWaalsContact C-N 3.31Å |
| 183 | P | 79.5 | Confident | 81.6 | Confident | 96 Ų | 96 | 99.1 Ų | 99.1 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -63.4 | 159.2 | 178 | 25.2 | -33.1 | 0 | 0 | 0 | 112.3 | Y185 | P183-Y185 HydrophobicContact CB-CE2 4.37Š|
| 184 | P | 78.8 | Confident | 81.4 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 83% | 0.831 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | cis | -86.9 | 141.6 | 14.4 | 32.9 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 185 | Y | 78.1 | Confident | 81.2 | Confident | 72 Ų | 72 | 98.8 Ų | 98.8 | 28% | 0.282 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 155.4 | 173.5 | -58.5 | -59.3 | 0 | 0 | 0 | 111.8 | D144 I146 T181 P183 S187 | D144-Y185 HydrophobicContact CB-CD2 4.25Å; I146-Y185 HydrophobicContact CD1-CE2 4.16Å; I146-Y185 HydrophobicContact CG1-CD1 4.38Å; I146-Y185 HydrophobicContact CG1-CD2 3.97Å; I146-Y185 HydrophobicContact CG1-CE1 4.31Å; I146-Y185 HydrophobicContact CG1-CE2 3.86Å; I146-Y185 HydrophobicContact CG1-CG 4.24Å; I146-Y185 HydrophobicContact CG2-CE1 4.39Å; T181-Y185 VanDerWaalsContact O-CE1 3.28Å; T181-Y185 WeakPolarHBondContact O-CE1 3.36Å; T181-Y185 PolarHBondContact O-OH 3.21Å; P183-Y185 HydrophobicContact CB-CE2 4.37Å; Y185-S187 PolarHBondContact O-N 3.26Å |
| 186 | D | 82.3 | Confident | 80.9 | Confident | 138 Ų | 138 | 100.7 Ų | 100.7 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 126 | 171.3 | -73 | -22.8 | 0 | 0 | 0 | 109.9 | I145 | I145-D186 PolarHBondContact N-O 3.25Å |
| 187 | S | 76 | Confident | 80.6 | Confident | 46 Ų | 46 | 103.3 Ų | 103.3 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.4 | 177.3 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | R143 Y185 | R143-S187 WeakPolarHBondContact O-CA 3.29Å; Y185-S187 PolarHBondContact O-N 3.26Å |
| 188 | L | 78.1 | Confident | 80.4 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.1 | 165.8 | -66.1 | 176.9 | 0 | 0 | 0 | 110.3 | R143 I145 | R143-L188 PolarHBondContact O-N 3.12Å; R143-L188 VanDerWaalsContact O-N 3.09Å; I145-L188 HydrophobicContact CD1-CD1 3.68Å; I145-L188 HydrophobicContact CD1-CD2 3.38Å; I145-L188 HydrophobicContact CD1-CG 3.23Å; I145-L188 HydrophobicContact CG1-CD1 3.95Å; I145-L188 HydrophobicContact CG1-CD2 4.31Å; I145-L188 HydrophobicContact CG1-CG 3.62Å |
| 189 | A | 75.6 | Confident | 80.1 | Confident | 44 Ų | 44 | 103.5 Ų | 103.5 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 107 | 163 | 0 | 0 | 0 | 0 | 0 | 108 | Y191 | A189-Y191 HydrophobicContact CB-CE1 4.48Å; A189-Y191 HydrophobicContact CB-CE2 3.73Å; A189-Y191 WeakPolarHBondContact O-CD2 3.42Å; A189-Y191 WeakPolarHBondContact O-CE2 3.34Å; A189-Y191 PolarHBondContact O-N 3.22Å |
| 190 | T | 75.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 105.6 Ų | 105.6 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | trans | -81.6 | 112 | 175.4 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | L141 | L141-T190 WeakPolarHBondContact CD2-O 3.49Š| ||
| 191 | Y | 79.2 | Confident | 79.5 | Confident | 206 Ų | 206 | 109.5 Ų | 109.5 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | trans | -95.4 | 128.5 | 172.9 | -55.6 | -82.3 | 0 | 0 | 0 | 109.3 | A189 | A189-Y191 HydrophobicContact CB-CE1 4.48Å; A189-Y191 HydrophobicContact CB-CE2 3.73Å; A189-Y191 WeakPolarHBondContact O-CD2 3.42Å; A189-Y191 WeakPolarHBondContact O-CE2 3.34Å; A189-Y191 PolarHBondContact O-N 3.22Å | ||
| 192 | A | 80.4 | Confident | 79.5 | Confident | 96 Ų | 96 | 112.9 Ų | 112.9 | 79% | 0.793 | 64% | 0.639 | S | S | * | * | trans | -133.4 | 20.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E194 | A192-E194 PolarHBondContact O-N 2.94Š| ||
| 193 | Y | 82.8 | Confident | 79.5 | Confident | 179 Ų | 179 | 117.7 Ų | 117.7 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | trans | -81.3 | 107.7 | -178.2 | -177.6 | -102.8 | 0 | 0 | 0 | 110 | G195 N196 | Y193-G195 VanDerWaalsContact C-N 3.26Å; Y193-G195 VanDerWaalsContact CE1-CA 3.5Å; Y193-N196 PolarHBondContact OH-OD1 3.31Å | ||
| 194 | E | 85.9 | Confident | 79.5 | Confident | 193 Ų | 193 | 118.7 Ų | 118.7 | 90% | 0.902 | 67% | 0.667 | S | S | * | * | trans | -80.1 | -7.6 | -179.7 | -172.7 | 169.3 | -178.2 | 0 | 0 | 113 | A192 | A192-E194 PolarHBondContact O-N 2.94Š| ||
| 195 | G | 84.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 117.6 Ų | 117.6 | 38% | 0.381 | 66% | 0.662 | S | S | . | * | trans | 96.8 | 170.8 | -165 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y193 | Y193-G195 VanDerWaalsContact C-N 3.26Å; Y193-G195 VanDerWaalsContact CE1-CA 3.5Å | ||
| 196 | N | 81.5 | Confident | 79.3 | Confident | 116 Ų | 116 | 122.6 Ų | 122.6 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -90.8 | 140.6 | 164 | -75.3 | 82.4 | 0 | 0 | 0 | 107.2 | Y193 S198 | Y193-N196 PolarHBondContact OH-OD1 3.31Å; N196-S198 PolarHBondContact O-N 3.22Å; N196-S198 PolarHBondContact O-OG 3.35Å | ||
| 197 | D | 80.1 | Confident | 78.8 | Confident | 168 Ų | 168 | 123.2 Ų | 123.2 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | trans | -56.8 | 70.8 | 174.6 | -71.5 | -40 | 0 | 0 | 0 | 111.7 | I199 | D197-I199 PolarHBondContact O-N 2.96Š| ||
| 198 | S | 82.4 | Confident | 78 | Confident | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -84.2 | 118.7 | -175.2 | -57.2 | 0 | 0 | 0 | 0 | 106.3 | N196 A200 | N196-S198 PolarHBondContact O-N 3.22Å; N196-S198 PolarHBondContact O-OG 3.35Å; S198-A200 PolarHBondContact O-N 3.14Å | ||
| 199 | I | 78.1 | Confident | 77.1 | Confident | 159 Ų | 159 | 124.7 Ų | 124.7 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -60.1 | 123.8 | 172.3 | -64.7 | 166.3 | 0 | 0 | 0 | 106.8 | D197 E201 | D197-I199 PolarHBondContact O-N 2.96Å; I199-E201 PolarHBondContact O-N 3.29Å | ||
| 200 | A | 79.8 | Confident | 76.1 | Confident | 74 Ų | 74 | 127.9 Ų | 127.9 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 106.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S198 S202 | S198-A200 PolarHBondContact O-N 3.14Å; A200-S202 PolarHBondContact O-N 3.1Å; A200-S202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | E | 72.4 | Confident | 75.2 | Confident | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -60.9 | -28.7 | -161.4 | -169.6 | 174.1 | 175.5 | 0 | 0 | 113.4 | I199 | I199-E201 PolarHBondContact O-N 3.29Š| ||
| 202 | S | 80.8 | Confident | 74.3 | Confident | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -171.2 | 136.9 | 163.8 | -79.9 | 0 | 0 | 0 | 0 | 110.2 | A200 | A200-S202 PolarHBondContact O-N 3.1Å; A200-S202 VanDerWaalsContact O-N 3.12Å | ||
| 203 | L | 78.9 | Confident | 73.3 | Confident | 152 Ų | 152 | 127.9 Ų | 127.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 134 | 165.4 | -61.6 | 178.6 | 0 | 0 | 0 | 108.2 | S205 | L203-S205 PolarHBondContact O-N 2.93Š|
| 204 | S | 78.5 | Confident | 72.4 | Confident | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 126.5 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | L206 | S204-L206 PolarHBondContact O-N 3.37Š|
| 205 | S | 79.8 | Confident | 71.8 | Confident | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.3 | 171.4 | -67.7 | 0 | 0 | 0 | 0 | 108.6 | L203 E207 | L203-S205 PolarHBondContact O-N 2.93Å; S205-E207 PolarHBondContact O-N 3.46Å |
| 206 | L | 74.4 | Confident | 71.6 | Confident | 177 Ų | 177 | 127.5 Ų | 127.5 | 93% | 0.927 | 74% | 0.744 | S | S | * | * | trans | -75.5 | 32.6 | 175.6 | -67.7 | 167.9 | 0 | 0 | 0 | 111.8 | S204 S208 | S204-L206 PolarHBondContact O-N 3.37Å; L206-S208 PolarHBondContact O-N 2.82Å | ||
| 207 | E | 70.4 | Confident | 71.6 | Confident | 151 Ų | 151 | 125.7 Ų | 125.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -62.4 | 101.7 | 179.9 | -164.9 | 165.8 | -169.1 | 0 | 0 | 107.7 | S205 G209 | S205-E207 PolarHBondContact O-N 3.46Å; E207-G209 PolarHBondContact O-N 3.35Å; E207-G209 VanDerWaalsContact O-N 3.1Å | ||
| 208 | S | 59.8 | Low | 71.7 | Confident | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -57.8 | 116.3 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 105.5 | L206 T210 | L206-S208 PolarHBondContact O-N 2.82Å; S208-T210 PolarHBondContact O-N 2.8Å | ||
| 209 | G | 58.2 | Low | 71.7 | Confident | 59 Ų | 59 | 121.8 Ų | 121.8 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | trans | -38.3 | 123.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111 | E207 T211 | E207-G209 PolarHBondContact O-N 3.35Å; E207-G209 VanDerWaalsContact O-N 3.1Å; G209-T211 PolarHBondContact O-N 2.74Å | ||
| 210 | T | 55.8 | Low | 72.2 | Confident | 112 Ų | 112 | 114.9 Ų | 114.9 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | trans | -44 | 113.6 | 169.4 | 50.5 | 0 | 0 | 0 | 0 | 106.2 | S208 E212 | S208-T210 PolarHBondContact O-N 2.8Å; T210-E212 PolarHBondContact O-N 2.88Å | ||
| 211 | T | 56.8 | Low | 72.4 | Confident | 128 Ų | 128 | 118.6 Ų | 118.6 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -60.1 | 100.8 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 104.9 | G209 G213 | G209-T211 PolarHBondContact O-N 2.74Å; T211-G213 PolarHBondContact O-N 3.18Å | ||
| 212 | E | 60.3 | Low | 73.2 | Confident | 197 Ų | 197 | 118.1 Ų | 118.1 | 92% | 0.921 | 65% | 0.653 | S | S | * | * | trans | -68.1 | 43.1 | 158.4 | -158.3 | 175.8 | -155.8 | 0 | 0 | 107.8 | T210 | T210-E212 PolarHBondContact O-N 2.88Š| ||
| 213 | G | 59 | Low | 73.6 | Confident | 50 Ų | 50 | 119.4 Ų | 119.4 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | trans | -94.9 | 105.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | T211 | T211-G213 PolarHBondContact O-N 3.18Š| ||
| 214 | D | 63.6 | Low | 74 | Confident | 146 Ų | 146 | 113.3 Ų | 113.3 | 78% | 0.781 | 61% | 0.614 | S | S | * | * | trans | 2.1 | 115.6 | 167.9 | -59.1 | -30.5 | 0 | 0 | 0 | 114.5 | N216 | D214-N216 HydrophobicContact CB-CB 4.45Å; D214-N216 PolarHBondContact O-N 3.06Å | ||
| 215 | Q | 72.6 | Confident | 74.4 | Confident | 170 Ų | 170 | 113 Ų | 113 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | trans | -65.7 | 39 | 169.5 | -63.3 | 177.1 | 9.3 | 0 | 0 | 111.9 | Y217 | Q215-Y217 HydrophobicContact CB-CE2 3.88Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.47Å; Q215-Y217 WeakPolarHBondContact O-CE2 3.13Å | ||
| 216 | N | 79.7 | Confident | 75 | Confident | 84 Ų | 84 | 118.2 Ų | 118.2 | 45% | 0.449 | 61% | 0.613 | S | S | . | * | trans | -82.1 | 116.2 | 172.9 | -174.9 | -15.3 | 0 | 0 | 0 | 108.4 | D214 D218 Y219 | D214-N216 HydrophobicContact CB-CB 4.45Å; D214-N216 PolarHBondContact O-N 3.06Å; N216-D218 PolarHBondContact ND2-OD2 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.36Å; N216-D218 PolarHBondContact OD1-N 2.93Å; N216-D218 PolarHBondContact OD1-OD2 3.19Å; N216-Y219 WeakPolarHBondContact O-CE1 3.22Å | ||
| 217 | Y | 82.7 | Confident | 75.7 | Confident | 79 Ų | 79 | 112.5 Ų | 112.5 | 31% | 0.31 | 58% | 0.581 | S | S | . | * | trans | -110.3 | 20.7 | 179.2 | -61.1 | -78 | 0 | 0 | 0 | 113 | Q215 Y219 L220 Y234 | Q215-Y217 HydrophobicContact CB-CE2 3.88Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.47Å; Q215-Y217 WeakPolarHBondContact O-CE2 3.13Å; Y217-Y219 AromaticContact CD1-CZ 3.89Å; Y217-Y219 WeakPolarHBondContact CD1-OH 3.42Å; Y217-Y219 PolarHBondContact O-N 3.26Å; Y217-Y219 VanDerWaalsContact O-N 3.12Å; Y217-L220 HydrophobicContact CD1-CD1 4.45Å; Y217-L220 HydrophobicContact CG-CD1 4.41Å; Y217-L220 VanDerWaalsContact O-CB 3.28Å; Y217-L220 WeakPolarHBondContact O-CB 3.25Å; Y217-L220 WeakPolarHBondContact O-CG 3.49Å; Y217-L220 PolarHBondContact O-N 3.37Å; Y217-Y234 HydrophobicContact CD2-CD1 4.03Å; Y217-Y234 HydrophobicContact CD2-CG 4.32Å; Y217-Y234 HydrophobicContact CE2-CD1 4.11Å | ||
| 218 | D | 82.3 | Confident | 76.5 | Confident | 73 Ų | 73 | 109.6 Ų | 109.6 | 39% | 0.39 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -56.8 | -30.5 | -177.7 | -73.4 | -28.1 | 0 | 0 | 0 | 113 | N216 L220 R221 | N216-D218 PolarHBondContact ND2-OD2 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.36Å; N216-D218 PolarHBondContact OD1-N 2.93Å; N216-D218 PolarHBondContact OD1-OD2 3.19Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 VanDerWaalsContact O-N 3.13Å; D218-R221 WeakPolarHBondContact O-CB 3.3Å; D218-R221 WeakPolarHBondContact O-CG 3.19Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 VanDerWaalsContact O-N 3.1Å |
| 219 | Y | 82.6 | Confident | 77.8 | Confident | 110 Ų | 110 | 111.4 Ų | 111.4 | 43% | 0.431 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -60.5 | -20.8 | 175.9 | 55.7 | -100.9 | 0 | 0 | 0 | 113.9 | N216 Y217 R221 E222 W223 | N216-Y219 WeakPolarHBondContact O-CE1 3.22Å; Y217-Y219 AromaticContact CD1-CZ 3.89Å; Y217-Y219 WeakPolarHBondContact CD1-OH 3.42Å; Y217-Y219 PolarHBondContact O-N 3.26Å; Y217-Y219 VanDerWaalsContact O-N 3.12Å; Y219-R221 PolarHBondContact O-N 3.23Å; Y219-E222 PolarHBondContact O-N 2.71Å; Y219-E222 VanDerWaalsContact O-N 3.12Å; Y219-W223 AromaticContact CD2-CE2 4Å; Y219-W223 AromaticContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CE2-CH2 4.32Å; Y219-W223 HydrophobicContact CE2-CZ2 4.02Å; Y219-W223 VanDerWaalsContact O-CD1 3.24Å |
| 220 | L | 87.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 112 Ų | 112 | 7% | 0.073 | 55% | 0.553 | C | S | . | * | G | 310 helix | trans | -63.1 | -25 | 176.1 | -67.1 | 177 | 0 | 0 | 0 | 112.3 | Y217 D218 E222 W223 L230 A231 | Y217-L220 HydrophobicContact CD1-CD1 4.45Å; Y217-L220 HydrophobicContact CG-CD1 4.41Å; Y217-L220 VanDerWaalsContact O-CB 3.28Å; Y217-L220 WeakPolarHBondContact O-CB 3.25Å; Y217-L220 WeakPolarHBondContact O-CG 3.49Å; Y217-L220 PolarHBondContact O-N 3.37Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 VanDerWaalsContact O-N 3.13Å; L220-E222 PolarHBondContact O-N 3.42Å; L220-W223 HydrophobicContact CD2-CD2 4.2Å; L220-W223 HydrophobicContact CD2-CE3 3.77Å; L220-W223 HydrophobicContact CD2-CH2 4.37Å; L220-W223 HydrophobicContact CD2-CZ3 3.86Å; L220-W223 PolarHBondContact O-N 3.1Å; L220-L230 HydrophobicContact CD1-CB 4.07Å; L220-A231 HydrophobicContact CB-CB 3.85Å |
| 221 | R | 83.6 | Confident | 80.7 | Confident | 153 Ų | 153 | 107.1 Ų | 107.1 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -65.5 | -27.5 | 176.8 | -64.6 | 176.1 | 175.9 | -165.1 | 0.3 | 112.1 | D218 Y219 A231 G235 | D218-R221 WeakPolarHBondContact O-CB 3.3Å; D218-R221 WeakPolarHBondContact O-CG 3.19Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 VanDerWaalsContact O-N 3.1Å; Y219-R221 PolarHBondContact O-N 3.23Å; R221-A231 HydrophobicContact CG-CB 3.9Å; R221-G235 PolarHBondContact NH2-O 3.37Å |
| 222 | E | 89.9 | Confident | 82 | Confident | 173 Ų | 173 | 108.9 Ų | 108.9 | 81% | 0.808 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -90.9 | -11.7 | -177.2 | -60.9 | -177 | 178.4 | 0 | 0 | 113 | Y219 L220 G224 | Y219-E222 PolarHBondContact O-N 2.71Å; Y219-E222 VanDerWaalsContact O-N 3.12Å; L220-E222 PolarHBondContact O-N 3.42Å; E222-G224 PolarHBondContact O-N 3.39Å |
| 223 | W | 89.1 | Confident | 83.2 | Confident | 143 Ų | 143 | 105 Ų | 105 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -76.5 | -3.3 | -177.5 | -73.7 | 14.8 | 0 | 0 | 0 | 114.3 | Y219 L220 F227 | Y219-W223 AromaticContact CD2-CE2 4Å; Y219-W223 AromaticContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CE2-CH2 4.32Å; Y219-W223 HydrophobicContact CE2-CZ2 4.02Å; Y219-W223 VanDerWaalsContact O-CD1 3.24Å; L220-W223 HydrophobicContact CD2-CD2 4.2Å; L220-W223 HydrophobicContact CD2-CE3 3.77Å; L220-W223 HydrophobicContact CD2-CH2 4.37Å; L220-W223 HydrophobicContact CD2-CZ3 3.86Å; L220-W223 PolarHBondContact O-N 3.1Å; W223-F227 HydrophobicContact CB-CB 3.98Å; W223-F227 HydrophobicContact CB-CD2 3.64Å; W223-F227 HydrophobicContact CB-CE2 4.28Å; W223-F227 HydrophobicContact CB-CG 3.85Å; W223-F227 AromaticContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD2 4.42Å; W223-F227 AromaticContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE2 4.41Å; W223-F227 HydrophobicContact CE3-CG 4.09Å; W223-F227 HydrophobicContact CE3-CZ 4.1Å; W223-F227 HydrophobicContact CZ3-CD1 4.4Å; W223-F227 HydrophobicContact CZ3-CE1 4.17Å; W223-F227 WeakPolarHBondContact O-CD2 3.33Å |
| 224 | G | 86.5 | Confident | 84.2 | Confident | 24 Ų | 24 | 108.7 Ų | 108.7 | 25% | 0.247 | 51% | 0.506 | C | S | . | . | trans | 91.7 | -180 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E222 R226 F227 | E222-G224 PolarHBondContact O-N 3.39Å; G224-R226 PolarHBondContact O-N 2.83Å; G224-F227 PolarHBondContact O-N 3.3Å | ||
| 225 | P | 88 | Confident | 84.6 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.9 | -159.4 | 20.7 | -32.2 | 0 | 0 | 0 | 115 | F227 | P225-F227 VanDerWaalsContact C-N 3.27Å; P225-F227 PolarHBondContact O-N 2.97Å |
| 226 | R | 91.1 | Very high | 84.3 | Confident | 214 Ų | 214 | 96.9 Ų | 96.9 | 81% | 0.808 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.3 | 175.7 | -60.7 | -163.3 | -56.4 | -95.4 | -1.4 | 113 | G224 | G224-R226 PolarHBondContact O-N 2.83Š|
| 227 | F | 90.6 | Very high | 83.2 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 25% | 0.254 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -102.2 | -0.8 | -177 | -63 | -87.8 | 0 | 0 | 0 | 112.9 | W223 G224 P225 K229 L230 A231 | W223-F227 HydrophobicContact CB-CB 3.98Å; W223-F227 HydrophobicContact CB-CD2 3.64Å; W223-F227 HydrophobicContact CB-CE2 4.28Å; W223-F227 HydrophobicContact CB-CG 3.85Å; W223-F227 AromaticContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD2 4.42Å; W223-F227 AromaticContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE2 4.41Å; W223-F227 HydrophobicContact CE3-CG 4.09Å; W223-F227 HydrophobicContact CE3-CZ 4.1Å; W223-F227 HydrophobicContact CZ3-CD1 4.4Å; W223-F227 HydrophobicContact CZ3-CE1 4.17Å; W223-F227 WeakPolarHBondContact O-CD2 3.33Å; G224-F227 PolarHBondContact O-N 3.3Å; P225-F227 VanDerWaalsContact C-N 3.27Å; P225-F227 PolarHBondContact O-N 2.97Å; F227-K229 PolarHBondContact O-N 2.69Å; F227-K229 VanDerWaalsContact O-N 3.14Å; F227-L230 HydrophobicContact CD1-CD1 3.99Å; F227-L230 WeakPolarHBondContact O-CA 3.28Å; F227-L230 PolarHBondContact O-N 2.96Å; F227-A231 PolarHBondContact O-N 3.12Å |
| 228 | N | 85.2 | Confident | 82 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -51.2 | -41.2 | 179 | -79.3 | 5.8 | 0 | 0 | 0 | 112.7 | L230 A231 E232 | N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.06Å; N228-A231 PolarHBondContact O-N 3.14Å; N228-E232 VanDerWaalsContact O-CB 3.3Å; N228-E232 WeakPolarHBondContact O-CB 3.1Å; N228-E232 PolarHBondContact O-N 2.88Å |
| 229 | K | 87.8 | Confident | 80.7 | Confident | 152 Ų | 152 | 103.6 Ų | 103.6 | 66% | 0.661 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 179.3 | -168.3 | 167.6 | -174.8 | 174.7 | 0 | 112.6 | F227 M233 | F227-K229 PolarHBondContact O-N 2.69Å; F227-K229 VanDerWaalsContact O-N 3.14Å; K229-M233 HydrophobicContact CG-CE 4.41Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.48Å; K229-M233 PolarHBondContact O-N 2.83Å; K229-M233 VanDerWaalsContact O-N 3.1Å |
| 230 | L | 88.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.8 | -40 | 175.6 | -70.5 | 165.9 | 0 | 0 | 0 | 110.9 | L220 F227 N228 E232 M233 Y234 | L220-L230 HydrophobicContact CD1-CB 4.07Å; F227-L230 HydrophobicContact CD1-CD1 3.99Å; F227-L230 WeakPolarHBondContact O-CA 3.28Å; F227-L230 PolarHBondContact O-N 2.96Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.06Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.91Å; L230-M233 HydrophobicContact CD2-CE 3.66Å; L230-M233 HydrophobicContact CG-CE 4.4Å; L230-M233 PolarHBondContact O-N 3.45Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CD2-CE2 4.11Å; L230-Y234 WeakPolarHBondContact O-CB 3.35Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 PolarHBondContact O-N 3.1Å |
| 231 | A | 87.5 | Confident | 77.6 | Confident | 10 Ų | 10 | 114.8 Ų | 114.8 | 8% | 0.083 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -61.5 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L220 R221 F227 N228 G235 | L220-A231 HydrophobicContact CB-CB 3.85Å; R221-A231 HydrophobicContact CG-CB 3.9Å; F227-A231 PolarHBondContact O-N 3.12Å; N228-A231 PolarHBondContact O-N 3.14Å; A231-G235 WeakPolarHBondContact O-CA 3.18Å; A231-G235 PolarHBondContact O-N 3.38Å |
| 232 | E | 83.7 | Confident | 75.9 | Confident | 164 Ų | 164 | 114.8 Ų | 114.8 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.9 | -42.8 | 173.7 | -174.4 | -179.5 | -177.1 | 0 | 0 | 111.8 | N228 L230 | N228-E232 VanDerWaalsContact O-CB 3.3Å; N228-E232 WeakPolarHBondContact O-CB 3.1Å; N228-E232 PolarHBondContact O-N 2.88Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.91Å |
| 233 | M | 85.4 | Confident | 73.7 | Confident | 115 Ų | 115 | 116 Ų | 116 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.7 | -28.8 | -179.9 | -72.1 | -174.2 | -51.3 | 0 | 0 | 113.8 | K229 L230 | K229-M233 HydrophobicContact CG-CE 4.41Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.48Å; K229-M233 PolarHBondContact O-N 2.83Å; K229-M233 VanDerWaalsContact O-N 3.1Å; L230-M233 HydrophobicContact CD2-CE 3.66Å; L230-M233 HydrophobicContact CG-CE 4.4Å; L230-M233 PolarHBondContact O-N 3.45Å |
| 234 | Y | 79.3 | Confident | 72.9 | Confident | 129 Ų | 129 | 114.7 Ų | 114.7 | 51% | 0.506 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -121.8 | -11.4 | -170.7 | -69 | -84.1 | 0 | 0 | 0 | 115.2 | Y217 L230 G236 | Y217-Y234 HydrophobicContact CD2-CD1 4.03Å; Y217-Y234 HydrophobicContact CD2-CG 4.32Å; Y217-Y234 HydrophobicContact CE2-CD1 4.11Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CD2-CE2 4.11Å; L230-Y234 WeakPolarHBondContact O-CB 3.35Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 PolarHBondContact O-N 3.1Å; Y234-G236 VanDerWaalsContact C-N 3.32Å; Y234-G236 PolarHBondContact O-N 3.24Å |
| 235 | G | 72.8 | Confident | 72.2 | Confident | 3 Ų | 3 | 119.4 Ų | 119.4 | 3% | 0.031 | 65% | 0.646 | C | S | . | * | S | Bend | trans | -87 | 28.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | R221 A231 | R221-G235 PolarHBondContact NH2-O 3.37Å; A231-G235 WeakPolarHBondContact O-CA 3.18Å; A231-G235 PolarHBondContact O-N 3.38Å |
| 236 | G | 65.8 | Low | 71.4 | Confident | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | trans | 89.6 | 112.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y234 | Y234-G236 VanDerWaalsContact C-N 3.32Å; Y234-G236 PolarHBondContact O-N 3.24Å | ||
| 237 | G | 57 | Low | 70.2 | Confident | 78 Ų | 78 | 114.4 Ų | 114.4 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -97 | 106.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S239 | G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.13Å | ||
| 238 | E | 56.8 | Low | 68.9 | Low | 194 Ų | 194 | 117.9 Ų | 117.9 | 91% | 0.907 | 66% | 0.656 | S | S | * | * | trans | -67.6 | 98.5 | 160.3 | -66.2 | -176.9 | 173.1 | 0 | 0 | 106.8 | D240 | E238-D240 PolarHBondContact O-N 2.98Š| ||
| 239 | S | 55 | Low | 67.8 | Low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -69.5 | 110.2 | 167.4 | 58.6 | 0 | 0 | 0 | 0 | 108.3 | G237 K241 | G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.13Å; S239-K241 PolarHBondContact O-N 3.12Å | ||
| 240 | D | 55.7 | Low | 66.4 | Low | 151 Ų | 151 | 117.4 Ų | 117.4 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | 2.1 | 102.4 | 151.1 | -60.1 | -39.3 | 0 | 0 | 0 | 114.5 | E238 | E238-D240 PolarHBondContact O-N 2.98Š| ||
| 241 | K | 50.7 | Low | 64.7 | Low | 209 Ų | 209 | 121 Ų | 121 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -100.3 | 97.1 | 155.4 | -95.4 | 179.5 | 177.5 | 165.8 | 0 | 107.4 | S239 S243 | S239-K241 PolarHBondContact O-N 3.12Å; K241-S243 PolarHBondContact O-N 3.23Å | ||
| 242 | D | 48.3 | Very low | 62.8 | Low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -52.3 | 123.8 | 164.5 | -72 | -41.9 | 0 | 0 | 0 | 110.7 | ||||
| 243 | S | 43.7 | Very low | 60.9 | Low | 199 Ų | 199 | 127.2 Ų | 127.2 | 100% | 1.392 | 74% | 0.739 | S | S | * | * | trans | -163.6 | 0 | 147.4 | -73.5 | 0 | 0 | 0 | 0 | 109.8 | K241 | K241-S243 PolarHBondContact O-N 3.23Š|
Retrieved 243 of 243 residues in 40.5 ms
(Link to these results)