| 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 | K | 46.8 | Very low | 65.3 | Low | 266 Ų | 266 | 163.9 Ų | 163.9 | 100% | 1.157 | 76% | 0.755 | S | S | * | * | 0 | 109.5 | 0 | -76.2 | 175.5 | 173.1 | 172.4 | 0 | 106.9 | |||||
| 2 | M | 45.5 | Very low | 66.4 | Low | 195 Ų | 195 | 162.3 Ų | 162.3 | 96% | 0.961 | 75% | 0.749 | S | S | * | * | trans | -86.1 | 120.6 | 174.3 | -72.7 | -175.2 | 177.6 | 0 | 0 | 108.2 | R4 | M2-R4 PolarHBondContact O-N 3.26Š| ||
| 3 | E | 57.2 | Low | 67.3 | Low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | trans | -74.1 | 117 | 177.4 | -168.5 | 174.9 | 115.2 | 0 | 0 | 108.9 | Q5 | E3-Q5 PolarHBondContact O-N 3.47Å; E3-Q5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | R | 63.9 | Low | 68.2 | Low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 69% | 0.685 | S | S | * | * | trans | -70.3 | 105.7 | 171.6 | -89.3 | -179.7 | 157.5 | 145.7 | -5 | 107.8 | M2 K6 | M2-R4 PolarHBondContact O-N 3.26Å; R4-K6 PolarHBondContact O-N 2.88Å; R4-K6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | Q | 69.4 | Low | 68.9 | Low | 138 Ų | 138 | 145.5 Ų | 145.5 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | trans | -60.7 | 115.9 | 171.3 | -68.1 | -162.7 | 9.2 | 0 | 0 | 109.2 | E3 F7 | E3-Q5 PolarHBondContact O-N 3.47Å; E3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-F7 HydrophobicContact CB-CD2 4.25Å; Q5-F7 HydrophobicContact CB-CE2 3.73Å; Q5-F7 HydrophobicContact CB-CZ 4.1Å; Q5-F7 PolarHBondContact O-N 3.49Å; Q5-F7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | K | 67.9 | Low | 69.2 | Low | 205 Ų | 205 | 144.9 Ų | 144.9 | 89% | 0.891 | 68% | 0.683 | S | S | * | * | trans | -75.5 | 96.5 | 170.5 | -82.9 | -179.5 | 175.2 | 179.9 | 0 | 107.7 | R4 P8 | R4-K6 PolarHBondContact O-N 2.88Å; R4-K6 VanDerWaalsContact O-N 3.12Å; K6-P8 VanDerWaalsContact O-CD 3.31Å; K6-P8 WeakPolarHBondContact O-CD 3.49Å | ||
| 7 | F | 66.6 | Low | 69.3 | Low | 113 Ų | 113 | 143.4 Ų | 143.4 | 50% | 0.496 | 67% | 0.674 | S | S | . | * | trans | -77 | 118.7 | 167.4 | -70.4 | -76.5 | 0 | 0 | 0 | 108.6 | Q5 F9 | Q5-F7 HydrophobicContact CB-CD2 4.25Å; Q5-F7 HydrophobicContact CB-CE2 3.73Å; Q5-F7 HydrophobicContact CB-CZ 4.1Å; Q5-F7 PolarHBondContact O-N 3.49Å; Q5-F7 VanDerWaalsContact O-N 3.14Å; F7-F9 PolarHBondContact O-N 3.13Å | ||
| 8 | P | 72.3 | Confident | 68.8 | Low | 77 Ų | 77 | 142.9 Ų | 142.9 | 50% | 0.5 | 67% | 0.666 | S | S | . | * | trans | -65.1 | 132.3 | 171.7 | 25.8 | -32 | 0 | 0 | 0 | 109.1 | K6 T10 N13 | K6-P8 VanDerWaalsContact O-CD 3.31Å; K6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-T10 HydrophobicContact CB-CG2 4.4Å; P8-T10 PolarHBondContact O-N 2.96Å; P8-N13 WeakPolarHBondContact CD-ND2 3.47Å; P8-N13 PolarHBondContact O-ND2 2.91Å; P8-N13 VanDerWaalsContact O-ND2 3.08Å | ||
| 9 | F | 71.3 | Confident | 68.1 | Low | 196 Ų | 196 | 141.6 Ų | 141.6 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -81.5 | 55.5 | 178 | -160.2 | -96 | 0 | 0 | 0 | 110 | F7 I14 | F7-F9 PolarHBondContact O-N 3.13Å; F9-I14 HydrophobicContact CE2-CD1 4.3Å; F9-I14 HydrophobicContact CZ-CD1 4.32Å | ||
| 10 | T | 82.4 | Confident | 67.4 | Low | 61 Ų | 61 | 140 Ų | 140 | 37% | 0.374 | 68% | 0.676 | S | S | . | * | trans | -95.8 | 145.5 | 171.8 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | P8 E12 N13 I14 | P8-T10 HydrophobicContact CB-CG2 4.4Å; P8-T10 PolarHBondContact O-N 2.96Å; T10-E12 PolarHBondContact O-N 3.12Å; T10-N13 PolarHBondContact O-N 3.4Å; T10-N13 VanDerWaalsContact O-N 3.1Å; T10-N13 WeakPolarHBondContact OG1-CB 3.36Å; T10-I14 PolarHBondContact O-N 3.34Å | ||
| 11 | I | 75.4 | Confident | 66.5 | Low | 133 Ų | 133 | 139.2 Ų | 139.2 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -55.4 | -41.5 | 179.9 | -63.8 | 170.7 | 0 | 0 | 0 | 110.2 | N13 I14 L15 | I11-N13 VanDerWaalsContact C-N 3.35Å; I11-N13 PolarHBondContact O-N 3.18Å; I11-I14 PolarHBondContact O-N 3.09Å; I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.1Å |
| 12 | E | 78.6 | Confident | 66.6 | Low | 145 Ų | 145 | 134.2 Ų | 134.2 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -57.9 | -42.9 | 177.9 | -62.6 | 162.9 | 175.6 | 0 | 0 | 112.9 | T10 I14 L15 N16 | T10-E12 PolarHBondContact O-N 3.12Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 2.84Å; E12-L15 PolarHBondContact O-N 3.2Å; E12-N16 WeakPolarHBondContact O-CB 3.46Å; E12-N16 PolarHBondContact O-N 3.48Å |
| 13 | N | 77.4 | Confident | 66.6 | Low | 45 Ų | 45 | 128.5 Ų | 128.5 | 24% | 0.241 | 66% | 0.66 | C | S | . | * | H | α-helix | trans | -72.7 | -28.8 | -177.4 | -159.4 | 36.8 | 0 | 0 | 0 | 112 | P8 T10 I11 K17 | P8-N13 WeakPolarHBondContact CD-ND2 3.47Å; P8-N13 PolarHBondContact O-ND2 2.91Å; P8-N13 VanDerWaalsContact O-ND2 3.08Å; T10-N13 PolarHBondContact O-N 3.4Å; T10-N13 VanDerWaalsContact O-N 3.1Å; T10-N13 WeakPolarHBondContact OG1-CB 3.36Å; I11-N13 VanDerWaalsContact C-N 3.35Å; I11-N13 PolarHBondContact O-N 3.18Å; N13-K17 PolarHBondContact O-N 3.42Å |
| 14 | I | 80.8 | Confident | 65.4 | Low | 72 Ų | 72 | 123.6 Ų | 123.6 | 37% | 0.369 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.2 | -47.7 | 173.2 | -62.6 | 168.7 | 0 | 0 | 0 | 109.7 | F9 T10 I11 E12 N16 K17 Y18 | F9-I14 HydrophobicContact CE2-CD1 4.3Å; F9-I14 HydrophobicContact CZ-CD1 4.32Å; T10-I14 PolarHBondContact O-N 3.34Å; I11-I14 PolarHBondContact O-N 3.09Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 2.84Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.99Å; I14-K17 PolarHBondContact O-N 3.01Å; I14-Y18 WeakPolarHBondContact O-CD2 3.45Å |
| 15 | L | 78.8 | Confident | 64.5 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.4 | -38.1 | 179.7 | -65.8 | 175.7 | 0 | 0 | 0 | 111.9 | I11 E12 K17 Y18 | I11-L15 HydrophobicContact CG2-CD1 3.87Å; I11-L15 HydrophobicContact CG2-CG 4.3Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.1Å; E12-L15 PolarHBondContact O-N 3.2Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.35Å; L15-Y18 PolarHBondContact O-N 3.22Å |
| 16 | N | 73.4 | Confident | 62.8 | Low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.6 | -19.8 | 176.8 | -81.8 | -13.6 | 0 | 0 | 0 | 114.5 | E12 I14 Y18 | E12-N16 WeakPolarHBondContact O-CB 3.46Å; E12-N16 PolarHBondContact O-N 3.48Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.99Å; N16-Y18 PolarHBondContact O-N 3.46Å |
| 17 | K | 70.6 | Confident | 61.6 | Low | 119 Ų | 119 | 120 Ų | 120 | 52% | 0.517 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -14.1 | 174 | -80.9 | -171.7 | -174.8 | -67 | 0 | 113.2 | N13 I14 L15 P19 | N13-K17 PolarHBondContact O-N 3.42Å; I14-K17 PolarHBondContact O-N 3.01Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.35Å; K17-P19 WeakPolarHBondContact O-CD 3.4Å |
| 18 | Y | 60.6 | Low | 60.1 | Low | 136 Ų | 136 | 121 Ų | 121 | 53% | 0.533 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -102.2 | 106.8 | 175.3 | -72.7 | -82.9 | 0 | 0 | 0 | 109.2 | I14 L15 N16 S20 | I14-Y18 WeakPolarHBondContact O-CD2 3.45Å; L15-Y18 PolarHBondContact O-N 3.22Å; N16-Y18 PolarHBondContact O-N 3.46Å; Y18-S20 PolarHBondContact O-N 3.02Å; Y18-S20 VanDerWaalsContact O-N 3.12Å |
| 19 | P | 55.5 | Low | 58.4 | Low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -61 | 122.6 | 167.4 | 25.5 | -29.7 | 0 | 0 | 0 | 107.2 | K17 S21 | K17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-S21 PolarHBondContact O-N 3.26Å | ||
| 20 | S | 54 | Low | 56.7 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -57.8 | 101.1 | 172 | -62.6 | 0 | 0 | 0 | 0 | 108.1 | Y18 I22 | Y18-S20 PolarHBondContact O-N 3.02Å; Y18-S20 VanDerWaalsContact O-N 3.12Å; S20-I22 PolarHBondContact O-N 2.92Å | ||
| 21 | S | 49 | Very low | 54.7 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -71.1 | 87.2 | 172 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | P19 | P19-S21 PolarHBondContact O-N 3.26Š| ||
| 22 | I | 47.3 | Very low | 52.8 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | trans | -110.7 | 115 | 160.3 | -64.3 | 179.7 | 0 | 0 | 0 | 106.1 | S20 | S20-I22 PolarHBondContact O-N 2.92Š| ||
| 23 | G | 45.8 | Very low | 50.7 | Low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | 136.2 | 69.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 24 | G | 32.4 | Very low | 48.8 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -144.5 | 74.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H26 | G24-H26 PolarHBondContact O-N 3.21Š| ||
| 25 | K | 44.6 | Very low | 46.8 | Very low | 210 Ų | 210 | 132.8 Ų | 132.8 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 116.8 | 168.1 | -68.3 | -179 | 177.8 | 177.9 | 0 | 108.2 | ||||
| 26 | H | 33.8 | Very low | 44.9 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -117.4 | 118.5 | 162.8 | -132.5 | -87.6 | 0 | 0 | 0 | 108.2 | G24 C28 | G24-H26 PolarHBondContact O-N 3.21Å; H26-C28 PolarHBondContact O-N 3.18Å | ||
| 27 | P | 44 | Very low | 43.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -83.1 | 112.6 | 176.1 | 31.7 | -26.6 | 0 | 0 | 0 | 108 | G29 | P27-G29 PolarHBondContact O-N 3.35Š| ||
| 28 | C | 34.3 | Very low | 41.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | trans | -94.2 | 84.8 | 161.8 | -167.9 | 0 | 0 | 0 | 0 | 107.9 | H26 | H26-C28 PolarHBondContact O-N 3.18Š| ||
| 29 | G | 36.9 | Very low | 40.3 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -112.6 | 104.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | P27 | P27-G29 PolarHBondContact O-N 3.35Š| ||
| 30 | T | 34.3 | Very low | 39.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -133.8 | 102 | 157.5 | -55.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 31 | R | 40.8 | Very low | 38.5 | Very low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -80.6 | 153 | 155.2 | -45 | 179.7 | -152.4 | -130.4 | 3.3 | 105.2 | ||||
| 32 | V | 36.2 | Very low | 37.8 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -170.7 | 142.2 | 50.7 | -174.7 | 0 | 0 | 0 | 0 | 104.2 | |||||
| 33 | L | 35.2 | Very low | 37.2 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | -173.2 | 133.9 | 92 | -86.6 | 163.7 | 0 | 0 | 0 | 109.8 | |||||
| 34 | G | 36.9 | Very low | 37.3 | Very low | 74 Ų | 74 | 140.6 Ų | 140.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -75.2 | 137.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 35 | L | 38.5 | Very low | 37.9 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 142.2 | 143.2 | -84.5 | 171.1 | 0 | 0 | 0 | 108 | ||||
| 36 | K | 38.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -88.4 | 147.9 | -160.3 | 179.5 | 176.7 | 138.9 | -179.5 | 0 | 110.5 | ||||
| 37 | E | 36.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | 69.7 | 136.5 | 160.1 | -93.9 | 174.9 | 95.5 | 0 | 0 | 115.5 | ||||
| 38 | K | 33.8 | Very low | 38.6 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | cis | -157 | 149.5 | 24.7 | -66.2 | -163.9 | 165.3 | -170.8 | 0 | 111.7 | ||||
| 39 | M | 38.4 | Very low | 39.3 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | 61 | 142.1 | 133.5 | -153.7 | 145.9 | 179.7 | 0 | 0 | 121.8 | ||||
| 40 | V | 31.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 99.8 | 106.3 | 163.1 | -170.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 41 | C | 41.1 | Very low | 41.1 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 142.4 | 160.1 | -69.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | P | 33.8 | Very low | 41.5 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -116.3 | 127.9 | 143.3 | 13.6 | 6.4 | 0 | 0 | 0 | 110.9 | ||||
| 43 | E | 35.4 | Very low | 42.3 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -69 | -175.7 | 164.1 | -138.3 | -98.3 | 148 | 0 | 0 | 110.7 | ||||
| 44 | P | 46.7 | Very low | 43.1 | Very low | 62 Ų | 62 | 130.5 Ų | 130.5 | 40% | 0.403 | 73% | 0.732 | S | S | . | * | -84.3 | 159.6 | -83.5 | 32.5 | -16.7 | 0 | 0 | 0 | 112.8 | H46 | P44-H46 WeakPolarHBondContact CG-NE2 3.23Å; P44-H46 PolarHBondContact O-CD2 3.42Å; P44-H46 PolarHBondContact O-N 2.94Å | |||
| 45 | V | 45.2 | Very low | 43.9 | Very low | 151 Ų | 151 | 130 Ų | 130 | 92% | 0.915 | 72% | 0.716 | S | S | * | * | trans | -70.3 | 89.8 | 173.7 | -165 | 0 | 0 | 0 | 0 | 108.9 | H47 | V45-H47 PolarHBondContact O-N 3.44Š| ||
| 46 | H | 43.9 | Very low | 44.3 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -68.3 | 118.2 | 173.3 | -82.4 | -97.6 | 0 | 0 | 0 | 109.7 | P44 A48 | P44-H46 WeakPolarHBondContact CG-NE2 3.23Å; P44-H46 PolarHBondContact O-CD2 3.42Å; P44-H46 PolarHBondContact O-N 2.94Å; H46-A48 PolarHBondContact O-N 3.06Å; H46-A48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | H | 43.4 | Very low | 44.7 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | -56.4 | 112.1 | 177.1 | -143.5 | -89.4 | 0 | 0 | 0 | 109.9 | V45 C49 | V45-H47 PolarHBondContact O-N 3.44Å; H47-C49 PolarHBondContact O-N 3.17Å | ||
| 48 | A | 50.5 | Low | 45.2 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -64.8 | 102.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | H46 L50 | H46-A48 PolarHBondContact O-N 3.06Å; H46-A48 VanDerWaalsContact O-N 3.13Å; A48-L50 PolarHBondContact O-N 3.45Å | ||
| 49 | C | 48.1 | Very low | 45.8 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 51% | 0.507 | 71% | 0.712 | S | S | . | * | trans | -73.9 | 94.3 | 178.4 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | H47 C51 C52 | H47-C49 PolarHBondContact O-N 3.17Å; C49-C51 PolarHBondContact O-N 3.24Å; C49-C52 HydrophobicContact CB-CB 4.09Å; C49-C52 PolarHBondContact O-N 2.87Å; C49-C52 PolarHBondContact SG-N 3.31Å | ||
| 50 | L | 58.1 | Low | 46.1 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 93% | 0.932 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -1.1 | 171.2 | -77.6 | 146.2 | 0 | 0 | 0 | 113.7 | A48 | A48-L50 PolarHBondContact O-N 3.45Š|
| 51 | C | 51.8 | Low | 47 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -9 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | C49 C53 | C49-C51 PolarHBondContact O-N 3.24Å; C51-C53 PolarHBondContact O-N 3.39Å |
| 52 | C | 48.3 | Very low | 47.2 | Very low | 85 Ų | 85 | 123.2 Ų | 123.2 | 57% | 0.574 | 71% | 0.71 | S | S | * | * | trans | -87.4 | 76 | -179.2 | -88.9 | 0 | 0 | 0 | 0 | 111.4 | C49 F54 | C49-C52 HydrophobicContact CB-CB 4.09Å; C49-C52 PolarHBondContact O-N 2.87Å; C49-C52 PolarHBondContact SG-N 3.31Å; C52-F54 PolarHBondContact O-N 3.33Å | ||
| 53 | C | 53.3 | Low | 47.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 72% | 0.716 | 71% | 0.707 | S | S | * | * | trans | -66.9 | 9.2 | 171.1 | -63.1 | 0 | 0 | 0 | 0 | 114.2 | C51 | C51-C53 PolarHBondContact O-N 3.39Š| ||
| 54 | F | 52.9 | Low | 48.3 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 44% | 0.443 | 70% | 0.699 | S | S | . | * | trans | -157.2 | 65.2 | -170 | -75.7 | -62.5 | 0 | 0 | 0 | 115.3 | C52 R105 R107 | C52-F54 PolarHBondContact O-N 3.33Å; F54-R105 WeakPolarHBondContact CE1-O 3.35Å; F54-R107 HydrophobicContact CB-CB 3.82Å; F54-R107 HydrophobicContact CB-CG 3.94Å; F54-R107 HydrophobicContact CD1-CB 3.2Å; F54-R107 HydrophobicContact CD1-CG 3.88Å; F54-R107 HydrophobicContact CD2-CB 3.6Å; F54-R107 HydrophobicContact CD2-CG 3.21Å; F54-R107 HydrophobicContact CE1-CB 3.5Å; F54-R107 VanDerWaalsContact CE1-CB 3.5Å; F54-R107 HydrophobicContact CE1-CG 4.15Å; F54-R107 HydrophobicContact CE2-CB 3.79Å; F54-R107 HydrophobicContact CE2-CG 3.45Å; F54-R107 VanDerWaalsContact CE2-CG 3.45Å; F54-R107 HydrophobicContact CG-CB 3.24Å; F54-R107 HydrophobicContact CG-CG 3.39Å; F54-R107 HydrophobicContact CZ-CB 3.72Å; F54-R107 HydrophobicContact CZ-CG 3.89Å; F54-R107 VanDerWaalsContact CZ-N 3.34Å | ||
| 55 | C | 52.1 | Low | 48.3 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 43% | 0.432 | 71% | 0.713 | S | S | . | * | trans | -116.3 | 121.4 | 157.5 | -169.8 | 0 | 0 | 0 | 0 | 108.4 | H57 C58 | C55-H57 PolarHBondContact O-N 2.97Å; C55-H57 VanDerWaalsContact O-N 3.09Å; C55-C58 PolarHBondContact O-N 3.12Å | ||
| 56 | S | 48.5 | Very low | 48.5 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -3.7 | 173.3 | -40.8 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | H | 46.1 | Very low | 48.6 | Very low | 179 Ų | 179 | 124.4 Ų | 124.4 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -1.3 | 179.5 | -91.6 | 85.1 | 0 | 0 | 0 | 114.7 | C55 | C55-H57 PolarHBondContact O-N 2.97Å; C55-H57 VanDerWaalsContact O-N 3.09Å |
| 58 | C | 46.3 | Very low | 48.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -100.6 | 7.2 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | C55 | C55-C58 PolarHBondContact O-N 3.12Š|
| 59 | A | 45.8 | Very low | 48.6 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -78 | -20.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 60 | D | 46.3 | Very low | 48.4 | Very low | 159 Ų | 159 | 125.9 Ų | 125.9 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -100.3 | -4.3 | -171 | -75.5 | -31.7 | 0 | 0 | 0 | 115.8 | ||
| 61 | M | 50.3 | Low | 47.8 | Very low | 159 Ų | 159 | 121.1 Ų | 121.1 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -146.1 | 89.9 | 173.9 | -79.5 | -142.3 | 79.1 | 0 | 0 | 111.7 | ||
| 62 | L | 44.5 | Very low | 47.7 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | 168.6 | 100 | 123.1 | -85.3 | 152.4 | 0 | 0 | 0 | 109.5 | S64 | L62-S64 PolarHBondContact O-N 2.82Å; L62-S64 VanDerWaalsContact O-N 3.16Å | |||
| 63 | H | 46 | Very low | 48.1 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | -64.5 | 104.6 | 152.8 | -152.7 | -112.6 | 0 | 0 | 0 | 106.2 | D65 | H63-D65 IonicContact CE1-OD1 3.43Å; H63-D65 PolarHBondContact CE1-OD1 2.89Å; H63-D65 IonicContact CE1-OD2 2.84Å; H63-D65 PolarHBondContact CE1-OD2 3.43Å; H63-D65 VanDerWaalsContact ND1-CG 3.33Å; H63-D65 IonicContact ND1-OD1 3.18Å; H63-D65 PolarHBondContact ND1-OD1 2.86Å; H63-D65 IonicContact ND1-OD2 3.88Å; H63-D65 PolarHBondContact ND1-OD2 3.44Å | ||
| 64 | S | 45.6 | Very low | 48 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | -96.7 | 92.1 | 170.4 | -67 | 0 | 0 | 0 | 0 | 107.9 | L62 L66 | L62-S64 PolarHBondContact O-N 2.82Å; L62-S64 VanDerWaalsContact O-N 3.16Å; S64-L66 PolarHBondContact O-N 3.16Å | ||
| 65 | D | 47.6 | Very low | 47.7 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -71.9 | 47.6 | 162.9 | -66.6 | -52.1 | 0 | 0 | 0 | 110.5 | H63 | H63-D65 IonicContact CE1-OD1 3.43Å; H63-D65 PolarHBondContact CE1-OD1 2.89Å; H63-D65 IonicContact CE1-OD2 2.84Å; H63-D65 PolarHBondContact CE1-OD2 3.43Å; H63-D65 VanDerWaalsContact ND1-CG 3.33Å; H63-D65 IonicContact ND1-OD1 3.18Å; H63-D65 PolarHBondContact ND1-OD1 2.86Å; H63-D65 IonicContact ND1-OD2 3.88Å; H63-D65 PolarHBondContact ND1-OD2 3.44Å | ||
| 66 | L | 48.3 | Very low | 47.8 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -105.4 | 101.1 | 170.6 | -139.9 | 75.9 | 0 | 0 | 0 | 107.3 | S64 H68 | S64-L66 PolarHBondContact O-N 3.16Å; L66-H68 PolarHBondContact O-N 3.05Å | ||
| 67 | I | 46.7 | Very low | 48 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -53.4 | 105.1 | 166.6 | -59.7 | 178.2 | 0 | 0 | 0 | 106.6 | D69 | I67-D69 HydrophobicContact CG2-CB 4.17Å; I67-D69 PolarHBondContact O-N 3.48Å | ||
| 68 | H | 44.8 | Very low | 48.5 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | trans | -75.5 | 76.7 | 167.6 | -172.4 | -77.5 | 0 | 0 | 0 | 107.4 | L66 A70 C71 | L66-H68 PolarHBondContact O-N 3.05Å; H68-A70 PolarHBondContact O-N 3.48Å; H68-C71 PolarHBondContact CE1-SG 2.93Å; H68-C71 PolarHBondContact ND1-N 2.79Å | ||
| 69 | D | 48.5 | Very low | 48.8 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 123.7 | 173.9 | -158.4 | 21 | 0 | 0 | 0 | 108.3 | I67 | I67-D69 HydrophobicContact CG2-CB 4.17Å; I67-D69 PolarHBondContact O-N 3.48Å |
| 70 | A | 45.4 | Very low | 49.1 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 65.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | H68 Q72 | H68-A70 PolarHBondContact O-N 3.48Å; A70-Q72 PolarHBondContact O-N 3.16Å |
| 71 | C | 45.1 | Very low | 49.5 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 53% | 0.534 | 67% | 0.669 | S | S | . | * | trans | -80.2 | 101.2 | 139.9 | -114.1 | 0 | 0 | 0 | 0 | 107.8 | H68 Y73 | H68-C71 PolarHBondContact CE1-SG 2.93Å; H68-C71 PolarHBondContact ND1-N 2.79Å; C71-Y73 PolarHBondContact O-N 3.38Å; C71-Y73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | Q | 49.9 | Very low | 49.3 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -63.7 | -12.6 | -179.5 | -169.3 | 168.6 | 22.4 | 0 | 0 | 113.4 | A70 | A70-Q72 PolarHBondContact O-N 3.16Š|
| 73 | Y | 57.3 | Low | 48.9 | Very low | 155 Ų | 155 | 120.5 Ų | 120.5 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -113.1 | 100.4 | 170.4 | -60.7 | -76.4 | 0 | 0 | 0 | 108.5 | C71 W75 | C71-Y73 PolarHBondContact O-N 3.38Å; C71-Y73 VanDerWaalsContact O-N 3.1Å; Y73-W75 PolarHBondContact O-N 3.47Å; Y73-W75 VanDerWaalsContact O-N 3.12Å |
| 74 | G | 50 | Low | 48.9 | Very low | 69 Ų | 69 | 118.8 Ų | 118.8 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -64.2 | 106.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 75 | W | 46.6 | Very low | 48.6 | Very low | 209 Ų | 209 | 120.5 Ų | 120.5 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | trans | -103.3 | 80.4 | 148.1 | -66.2 | 76.2 | 0 | 0 | 0 | 105.9 | Y73 P77 M80 | Y73-W75 PolarHBondContact O-N 3.47Å; Y73-W75 VanDerWaalsContact O-N 3.12Å; W75-P77 WeakPolarHBondContact O-CD 3.31Å; W75-M80 HydrophobicContact CB-CE 3.91Å; W75-M80 HydrophobicContact CE3-CE 3.94Å | ||
| 76 | N | 55.3 | Low | 48.5 | Very low | 98 Ų | 98 | 126 Ų | 126 | 52% | 0.524 | 69% | 0.688 | S | S | . | * | trans | -77.1 | 109 | 174.7 | -173.4 | -20.2 | 0 | 0 | 0 | 108 | A78 A79 M80 | N76-A78 PolarHBondContact O-N 3.06Å; N76-A78 VanDerWaalsContact O-N 3.07Å; N76-A78 VanDerWaalsContact OD1-CB 3.23Å; N76-A78 WeakPolarHBondContact OD1-CB 3.4Å; N76-A78 PolarHBondContact OD1-N 2.99Å; N76-A79 HydrophobicContact CB-CB 4.42Å; N76-A79 PolarHBondContact O-N 3.34Å; N76-M80 VanDerWaalsContact O-CE 3.28Å; N76-M80 WeakPolarHBondContact O-CE 3.17Å | ||
| 77 | P | 52.8 | Low | 48.2 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | -177.5 | -19.8 | 34.3 | 0 | 0 | 0 | 112.2 | W75 V81 | W75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-V81 WeakPolarHBondContact O-CG2 3.42Å |
| 78 | A | 55.5 | Low | 47.6 | Very low | 65 Ų | 65 | 123.7 Ų | 123.7 | 54% | 0.537 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -26.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N76 | N76-A78 PolarHBondContact O-N 3.06Å; N76-A78 VanDerWaalsContact O-N 3.07Å; N76-A78 VanDerWaalsContact OD1-CB 3.23Å; N76-A78 WeakPolarHBondContact OD1-CB 3.4Å; N76-A78 PolarHBondContact OD1-N 2.99Å |
| 79 | A | 53.1 | Low | 47.3 | Very low | 62 Ų | 62 | 126.7 Ų | 126.7 | 51% | 0.512 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -30 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N76 V81 | N76-A79 HydrophobicContact CB-CB 4.42Å; N76-A79 PolarHBondContact O-N 3.34Å; A79-V81 VanDerWaalsContact C-N 3.33Å; A79-V81 PolarHBondContact O-N 3.26Å |
| 80 | M | 51.7 | Low | 46.5 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 53% | 0.527 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -14.7 | -178.5 | -4.9 | -82.3 | -167 | 0 | 0 | 113.9 | W75 N76 | W75-M80 HydrophobicContact CB-CE 3.91Å; W75-M80 HydrophobicContact CE3-CE 3.94Å; N76-M80 VanDerWaalsContact O-CE 3.28Å; N76-M80 WeakPolarHBondContact O-CE 3.17Å |
| 81 | V | 54 | Low | 46.3 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 52% | 0.521 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | -9.6 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | P77 A79 V102 | P77-V81 WeakPolarHBondContact O-CG2 3.42Å; A79-V81 VanDerWaalsContact C-N 3.33Å; A79-V81 PolarHBondContact O-N 3.26Å; V81-V102 HydrophobicContact CG1-CG1 4.47Å; V81-V102 HydrophobicContact CG1-CG2 3.77Å |
| 82 | S | 46.8 | Very low | 45.8 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -98 | -0.9 | -174.8 | -61.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 83 | E | 36.8 | Very low | 45.4 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -106.2 | 77.5 | 175.2 | -79.3 | 167.6 | 154.4 | 0 | 0 | 110.1 | C85 | E83-C85 PolarHBondContact O-N 3.05Å; E83-C85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | T | 44.2 | Very low | 44.6 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -49.9 | 120.8 | 157.6 | 40.4 | 0 | 0 | 0 | 0 | 108.5 | R86 | T84-R86 PolarHBondContact O-N 3.13Å; T84-R86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | C | 41 | Very low | 43.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 86% | 0.858 | 73% | 0.734 | S | S | * | * | trans | -38.8 | 115.8 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | E83 | E83-C85 PolarHBondContact O-N 3.05Å; E83-C85 VanDerWaalsContact O-N 3.16Å | ||
| 86 | R | 44.7 | Very low | 43.6 | Very low | 246 Ų | 246 | 136.7 Ų | 136.7 | 93% | 0.928 | 73% | 0.731 | S | S | * | * | trans | -66.9 | 133.5 | 164.8 | -72.9 | -165.8 | 166.3 | -103 | -2.2 | 109 | T84 | T84-R86 PolarHBondContact O-N 3.13Å; T84-R86 VanDerWaalsContact O-N 3.11Å | ||
| 87 | L | 41.8 | Very low | 42.8 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | trans | 106.1 | 108.1 | 154.5 | -153.1 | 71.2 | 0 | 0 | 0 | 117 | ||||
| 88 | G | 34.2 | Very low | 42.3 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 154.1 | 70.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A90 | G88-A90 PolarHBondContact O-N 3.32Š| ||
| 89 | E | 37.7 | Very low | 41.5 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -71.8 | 119.7 | 167.3 | -75.5 | -173.9 | 146.3 | 0 | 0 | 110.2 | ||||
| 90 | A | 33.4 | Very low | 41.1 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -146.4 | 112.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108 | G88 | G88-A90 PolarHBondContact O-N 3.32Š| ||
| 91 | H | 39.8 | Very low | 41.2 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -60.3 | 124.6 | 178.8 | 167.3 | -148.6 | 0 | 0 | 0 | 112.1 | E93 | H91-E93 IonicContact CD2-OE2 3.29Å; H91-E93 IonicContact CE1-OE2 3.62Å; H91-E93 IonicContact NE2-OE2 2.8Å; H91-E93 PolarHBondContact NE2-OE2 2.88Å | ||
| 92 | R | 35.7 | Very low | 41.5 | Very low | 246 Ų | 246 | 145.6 Ų | 145.6 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -156.2 | 132.3 | 135.4 | -121.9 | -173.7 | -178.8 | -135.3 | 0.5 | 111.2 | ||||
| 93 | E | 42 | Very low | 42.3 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 156.8 | -170.3 | -92.4 | 151.4 | 95.2 | 0 | 0 | 116.7 | H91 | H91-E93 IonicContact CD2-OE2 3.29Å; H91-E93 IonicContact CE1-OE2 3.62Å; H91-E93 IonicContact NE2-OE2 2.8Å; H91-E93 PolarHBondContact NE2-OE2 2.88Å | ||
| 94 | E | 40.5 | Very low | 44 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | 71.1 | 100.3 | 148.2 | -78.5 | -78.9 | 87.6 | 0 | 0 | 118.8 | ||||
| 95 | Q | 34.8 | Very low | 45.6 | Very low | 163 Ų | 163 | 156 Ų | 156 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 168 | 116.3 | 98.6 | -161.9 | 107.4 | 73.8 | 0 | 0 | 109.2 | |||||
| 96 | H | 40.3 | Very low | 47.5 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -85.7 | 138.8 | 171 | -167.7 | 178.9 | 0 | 0 | 0 | 108.9 | K98 | H96-K98 PolarHBondContact CD2-N 2.92Å; H96-K98 PolarHBondContact NE2-N 2.92Å | ||
| 97 | P | 38.9 | Very low | 49.4 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | -138.1 | 132.6 | 115.4 | 35.3 | -22.6 | 0 | 0 | 0 | 113.8 | |||||
| 98 | K | 41.5 | Very low | 51.6 | Low | 196 Ų | 196 | 151.1 Ų | 151.1 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 38 | 107.4 | 142.1 | -58.6 | -163.8 | 177.3 | -169.6 | 0 | 117.7 | H96 | H96-K98 PolarHBondContact CD2-N 2.92Å; H96-K98 PolarHBondContact NE2-N 2.92Å |
| 99 | G | 38.6 | Very low | 54.3 | Low | 56 Ų | 56 | 156.1 Ų | 156.1 | 58% | 0.577 | 76% | 0.76 | S | S | * | * | trans | 147.3 | 83.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q101 | G99-Q101 PolarHBondContact O-N 3.29Š| ||
| 100 | G | 45.8 | Very low | 57 | Low | 83 Ų | 83 | 156 Ų | 156 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -67 | 71.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V102 | G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 2.89Å | ||
| 101 | Q | 53.8 | Low | 59.8 | Low | 173 Ų | 173 | 155.6 Ų | 155.6 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | -67.6 | 100.2 | 164.5 | -55.4 | -173.1 | 0.5 | 0 | 0 | 104.4 | G99 Q103 | G99-Q101 PolarHBondContact O-N 3.29Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.18Å | ||
| 102 | V | 59.9 | Low | 62.5 | Low | 84 Ų | 84 | 154.5 Ų | 154.5 | 51% | 0.509 | 74% | 0.737 | S | S | . | * | trans | -49.8 | 105.2 | 166.9 | 177.1 | 0 | 0 | 0 | 0 | 105.3 | V81 G100 R104 | V81-V102 HydrophobicContact CG1-CG1 4.47Å; V81-V102 HydrophobicContact CG1-CG2 3.77Å; G100-V102 VanDerWaalsContact C-N 3.3Å; G100-V102 PolarHBondContact O-N 2.89Å; V102-R104 HydrophobicContact CG1-CG 4.29Å; V102-R104 PolarHBondContact O-N 3.43Å | ||
| 103 | Q | 63.6 | Low | 65.5 | Low | 193 Ų | 193 | 146.8 Ų | 146.8 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 87.3 | 177.4 | -79.1 | -176.9 | -26.2 | 0 | 0 | 106.8 | Q101 R105 | Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.18Å; Q103-R105 PolarHBondContact O-N 2.84Å | ||
| 104 | R | 71.5 | Confident | 68.2 | Low | 218 Ų | 218 | 143.1 Ų | 143.1 | 82% | 0.823 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124.8 | 179.1 | -76.9 | -176.8 | 172.5 | 178.6 | -1.2 | 107.3 | V102 T106 | V102-R104 HydrophobicContact CG1-CG 4.29Å; V102-R104 PolarHBondContact O-N 3.43Å; R104-T106 PolarHBondContact O-N 2.91Å; R104-T106 VanDerWaalsContact O-N 3.16Å |
| 105 | R | 77.5 | Confident | 70.9 | Confident | 201 Ų | 201 | 143.2 Ų | 143.2 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 116.6 | -179.6 | -170.1 | 179.1 | -173.9 | 180 | 5 | 110 | F54 Q103 | F54-R105 WeakPolarHBondContact CE1-O 3.35Å; Q103-R105 PolarHBondContact O-N 2.84Å |
| 106 | T | 80.7 | Confident | 73.9 | Confident | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 153.9 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | R104 | R104-T106 PolarHBondContact O-N 2.91Å; R104-T106 VanDerWaalsContact O-N 3.16Å |
| 107 | R | 84.5 | Confident | 76.7 | Confident | 138 Ų | 138 | 137.1 Ų | 137.1 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 150.3 | -180 | -147.6 | 170.4 | 167.2 | -108.8 | 13.1 | 107.2 | F54 | F54-R107 HydrophobicContact CB-CB 3.82Å; F54-R107 HydrophobicContact CB-CG 3.94Å; F54-R107 HydrophobicContact CD1-CB 3.2Å; F54-R107 HydrophobicContact CD1-CG 3.88Å; F54-R107 HydrophobicContact CD2-CB 3.6Å; F54-R107 HydrophobicContact CD2-CG 3.21Å; F54-R107 HydrophobicContact CE1-CB 3.5Å; F54-R107 VanDerWaalsContact CE1-CB 3.5Å; F54-R107 HydrophobicContact CE1-CG 4.15Å; F54-R107 HydrophobicContact CE2-CB 3.79Å; F54-R107 HydrophobicContact CE2-CG 3.45Å; F54-R107 VanDerWaalsContact CE2-CG 3.45Å; F54-R107 HydrophobicContact CG-CB 3.24Å; F54-R107 HydrophobicContact CG-CG 3.39Å; F54-R107 HydrophobicContact CZ-CB 3.72Å; F54-R107 HydrophobicContact CZ-CG 3.89Å; F54-R107 VanDerWaalsContact CZ-N 3.34Å |
| 108 | R | 88.4 | Confident | 79.5 | Confident | 198 Ų | 198 | 135.2 Ų | 135.2 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143.8 | 157.7 | -60.7 | 179.7 | -178.5 | -179.6 | -3.1 | 109.3 | ||
| 109 | H | 91.5 | Very high | 82.2 | Confident | 180 Ų | 180 | 130.1 Ų | 130.1 | 83% | 0.833 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 149.9 | 169.6 | -67.6 | -80.5 | 0 | 0 | 0 | 109.8 | T111 | H109-T111 PolarHBondContact O-N 3.32Š|
| 110 | R | 93.9 | Very high | 85 | Confident | 202 Ų | 202 | 128.9 Ų | 128.9 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.2 | 172.8 | -178.2 | -179.2 | -178.6 | 175 | 1 | 107.6 | I112 | R110-I112 HydrophobicContact CG-CD1 4.21Š|
| 111 | T | 93.6 | Very high | 87.5 | Confident | 93 Ų | 93 | 127.6 Ų | 127.6 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.4 | 170.6 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | H109 F113 | H109-T111 PolarHBondContact O-N 3.32Å; T111-F113 HydrophobicContact CG2-CD1 4.33Å; T111-F113 HydrophobicContact CG2-CE1 3.97Å; T111-F113 HydrophobicContact CG2-CZ 4.24Å |
| 112 | I | 95.9 | Very high | 89.6 | Confident | 132 Ų | 132 | 124.9 Ų | 124.9 | 68% | 0.677 | 58% | 0.58 | S | S | * | * | trans | -113.3 | 119.6 | 172.7 | -51.2 | -60.4 | 0 | 0 | 0 | 106.1 | R110 | R110-I112 HydrophobicContact CG-CD1 4.21Š| ||
| 113 | F | 97.8 | Very high | 91.4 | Very high | 83 Ų | 83 | 126.6 Ų | 126.6 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | trans | -82.2 | 149.9 | 179.6 | -60.8 | -69.7 | 0 | 0 | 0 | 110.6 | T111 Q117 L118 L145 | T111-F113 HydrophobicContact CG2-CD1 4.33Å; T111-F113 HydrophobicContact CG2-CE1 3.97Å; T111-F113 HydrophobicContact CG2-CZ 4.24Å; F113-Q117 HydrophobicContact CB-CB 4.2Å; F113-Q117 HydrophobicContact CD1-CB 4.49Å; F113-L118 HydrophobicContact CB-CD2 3.76Å; F113-L118 HydrophobicContact CB-CG 3.84Å; F113-L118 HydrophobicContact CD2-CD2 3.95Å; F113-L118 HydrophobicContact CG-CD2 4.15Å; F113-L145 HydrophobicContact CD1-CD1 3.97Å; F113-L145 HydrophobicContact CD1-CD2 3.93Å; F113-L145 HydrophobicContact CE1-CD1 3.53Å; F113-L145 HydrophobicContact CE1-CD2 3.64Å; F113-L145 HydrophobicContact CE1-CG 4.25Å | ||
| 114 | T | 98.3 | Very high | 93 | Very high | 75 Ų | 75 | 119.2 Ų | 119.2 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | trans | -73.6 | 162.9 | 166.2 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | E116 Q117 L118 | T114-E116 PolarHBondContact O-N 3.29Å; T114-Q117 PolarHBondContact O-N 2.71Å; T114-Q117 VanDerWaalsContact OG1-CG 3.23Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.47Å; T114-Q117 PolarHBondContact OG1-N 2.81Å; T114-Q117 PolarHBondContact OG1-OE1 3.21Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.71Å; T114-L118 VanDerWaalsContact O-N 3.1Å | ||
| 115 | E | 98.2 | Very high | 94.2 | Very high | 155 Ų | 155 | 114 Ų | 114 | 72% | 0.724 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58 | -48.2 | 176.8 | -170.4 | 168.9 | -166.1 | 0 | 0 | 111.1 | Q117 L118 D119 | E115-Q117 VanDerWaalsContact C-N 3.26Å; E115-Q117 PolarHBondContact O-N 2.71Å; E115-L118 WeakPolarHBondContact O-CB 3.4Å; E115-L118 PolarHBondContact O-N 3.1Å; E115-D119 PolarHBondContact O-N 2.77Å |
| 116 | E | 97.8 | Very high | 95.2 | Very high | 160 Ų | 160 | 111.7 Ų | 111.7 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.9 | -36.3 | 176.6 | -61.8 | 177.6 | 176.8 | 0 | 0 | 113.4 | T114 A120 | T114-E116 PolarHBondContact O-N 3.29Å; E116-A120 PolarHBondContact O-N 2.92Å |
| 117 | Q | 98.3 | Very high | 96 | Very high | 35 Ų | 35 | 112.8 Ų | 112.8 | 16% | 0.164 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 176.6 | -73.8 | 172.8 | -24.8 | 0 | 0 | 111.5 | F113 T114 E115 L121 T143 | F113-Q117 HydrophobicContact CB-CB 4.2Å; F113-Q117 HydrophobicContact CD1-CB 4.49Å; T114-Q117 PolarHBondContact O-N 2.71Å; T114-Q117 VanDerWaalsContact OG1-CG 3.23Å; T114-Q117 WeakPolarHBondContact OG1-CG 3.47Å; T114-Q117 PolarHBondContact OG1-N 2.81Å; T114-Q117 PolarHBondContact OG1-OE1 3.21Å; E115-Q117 VanDerWaalsContact C-N 3.26Å; E115-Q117 PolarHBondContact O-N 2.71Å; Q117-L121 WeakPolarHBondContact O-CB 3.4Å; Q117-L121 VanDerWaalsContact O-CD1 3.31Å; Q117-L121 WeakPolarHBondContact O-CD1 3.5Å; Q117-L121 WeakPolarHBondContact O-CG 3.34Å; Q117-L121 PolarHBondContact O-N 3.31Å; Q117-L121 VanDerWaalsContact O-N 3.12Å; Q117-T143 PolarHBondContact NE2-O 3.28Å |
| 118 | L | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 109.7 Ų | 109.7 | 37% | 0.366 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.2 | -67.3 | 173.4 | 0 | 0 | 0 | 110.8 | F113 T114 E115 A120 L121 E122 | F113-L118 HydrophobicContact CB-CD2 3.76Å; F113-L118 HydrophobicContact CB-CG 3.84Å; F113-L118 HydrophobicContact CD2-CD2 3.95Å; F113-L118 HydrophobicContact CG-CD2 4.15Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 2.71Å; T114-L118 VanDerWaalsContact O-N 3.1Å; E115-L118 WeakPolarHBondContact O-CB 3.4Å; E115-L118 PolarHBondContact O-N 3.1Å; L118-A120 PolarHBondContact O-N 3.46Å; L118-L121 WeakPolarHBondContact O-CB 3.37Å; L118-L121 PolarHBondContact O-N 3.32Å; L118-L121 VanDerWaalsContact O-N 3.12Å; L118-E122 WeakPolarHBondContact O-CB 3.44Å; L118-E122 WeakPolarHBondContact O-CG 3.35Å; L118-E122 PolarHBondContact O-N 3.06Å |
| 119 | D | 98.1 | Very high | 97 | Very high | 89 Ų | 89 | 105.5 Ų | 105.5 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 178.5 | -68.9 | -19 | 0 | 0 | 0 | 111.6 | E115 L121 E122 E123 | E115-D119 PolarHBondContact O-N 2.77Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.46Å; D119-E122 PolarHBondContact O-N 3.36Å; D119-E123 WeakPolarHBondContact O-CB 3.3Å; D119-E123 PolarHBondContact O-N 2.95Å |
| 120 | A | 97.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 106.3 Ų | 106.3 | 24% | 0.24 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E116 L118 L124 L139 T143 | E116-A120 PolarHBondContact O-N 2.92Å; L118-A120 PolarHBondContact O-N 3.46Å; A120-L124 PolarHBondContact O-N 2.87Å; A120-L139 HydrophobicContact CB-CD1 4.36Å; A120-T143 HydrophobicContact CB-CG2 3.88Å |
| 121 | L | 97.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 97.8 Ų | 97.8 | 29% | 0.293 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 176.3 | -73.5 | 163.8 | 0 | 0 | 0 | 111.6 | Q117 L118 D119 F125 L139 L145 | Q117-L121 WeakPolarHBondContact O-CB 3.4Å; Q117-L121 VanDerWaalsContact O-CD1 3.31Å; Q117-L121 WeakPolarHBondContact O-CD1 3.5Å; Q117-L121 WeakPolarHBondContact O-CG 3.34Å; Q117-L121 PolarHBondContact O-N 3.31Å; Q117-L121 VanDerWaalsContact O-N 3.12Å; L118-L121 WeakPolarHBondContact O-CB 3.37Å; L118-L121 PolarHBondContact O-N 3.32Å; L118-L121 VanDerWaalsContact O-N 3.12Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.46Å; L121-F125 WeakPolarHBondContact O-CB 3.47Å; L121-F125 PolarHBondContact O-N 3.42Å; L121-L139 HydrophobicContact CD2-CD2 3.58Å; L121-L139 HydrophobicContact CD2-CG 4.5Å; L121-L145 HydrophobicContact CD1-CD1 4.41Å |
| 122 | E | 98.2 | Very high | 97.6 | Very high | 117 Ų | 117 | 98.2 Ų | 98.2 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 179.5 | -72.7 | -179.2 | -169.7 | 0 | 0 | 111.8 | L118 D119 L124 F125 L126 | L118-E122 WeakPolarHBondContact O-CB 3.44Å; L118-E122 WeakPolarHBondContact O-CG 3.35Å; L118-E122 PolarHBondContact O-N 3.06Å; D119-E122 PolarHBondContact O-N 3.36Å; E122-L124 PolarHBondContact O-N 2.94Å; E122-F125 PolarHBondContact O-N 3.39Å; E122-L126 WeakPolarHBondContact O-CG 3.34Å; E122-L126 PolarHBondContact O-N 3.47Å |
| 123 | E | 97.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.7 | -48.7 | 175.8 | -173.6 | -174.4 | 173.8 | 0 | 0 | 111.1 | D119 F125 L126 Q127 | D119-E123 WeakPolarHBondContact O-CB 3.3Å; D119-E123 PolarHBondContact O-N 2.95Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 3.12Å; E123-L126 PolarHBondContact O-N 3.19Å; E123-Q127 WeakPolarHBondContact O-CG 3.32Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.32Å |
| 124 | L | 97.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.5 | -173.1 | 75.7 | 0 | 0 | 0 | 111 | A120 E122 L126 Q127 N128 P131 L139 | A120-L124 PolarHBondContact O-N 2.87Å; E122-L124 PolarHBondContact O-N 2.94Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.34Å; L124-Q127 PolarHBondContact O-N 3.45Å; L124-N128 CarbonylContact O-C 3.53Å; L124-N128 PolarHBondContact O-N 3.26Å; L124-N128 VanDerWaalsContact O-O 3.13Å; L124-P131 HydrophobicContact CD2-CB 4.15Å; L124-P131 HydrophobicContact CD2-CG 4.06Å; L124-L139 HydrophobicContact CB-CD1 4.43Å; L124-L139 HydrophobicContact CD2-CB 4.31Å; L124-L139 HydrophobicContact CD2-CD1 4.27Å; L124-L139 HydrophobicContact CD2-CD2 3.49Å; L124-L139 VanDerWaalsContact CD2-CD2 3.49Å; L124-L139 HydrophobicContact CD2-CG 4.23Å |
| 125 | F | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 93.8 Ų | 93.8 | 48% | 0.482 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | -179.2 | -175.9 | -97.4 | 0 | 0 | 0 | 112.6 | L121 E122 E123 Q127 N128 Q129 | L121-F125 WeakPolarHBondContact O-CB 3.47Å; L121-F125 PolarHBondContact O-N 3.42Å; E122-F125 PolarHBondContact O-N 3.39Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 3.12Å; F125-Q127 VanDerWaalsContact C-N 3.3Å; F125-Q127 PolarHBondContact O-N 3Å; F125-N128 CarbonylContact O-C 3.51Å; F125-Q129 HydrophobicContact CD1-CG 4.35Å; F125-Q129 HydrophobicContact CD2-CB 4.16Å; F125-Q129 HydrophobicContact CD2-CG 4.03Å; F125-Q129 HydrophobicContact CE1-CG 3.99Å; F125-Q129 HydrophobicContact CE2-CB 3.77Å; F125-Q129 HydrophobicContact CE2-CG 3.64Å; F125-Q129 HydrophobicContact CG-CG 4.37Å; F125-Q129 HydrophobicContact CZ-CB 4.21Å; F125-Q129 HydrophobicContact CZ-CG 3.62Å; F125-Q129 WeakPolarHBondContact O-CG 3.39Å; F125-Q129 PolarHBondContact O-N 3.33Å |
| 126 | L | 98.1 | Very high | 97.7 | Very high | 151 Ų | 151 | 92.7 Ų | 92.7 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.9 | -36.3 | 175.2 | -70.6 | 173.5 | 0 | 0 | 0 | 112.1 | E122 E123 L124 | E122-L126 WeakPolarHBondContact O-CG 3.34Å; E122-L126 PolarHBondContact O-N 3.47Å; E123-L126 PolarHBondContact O-N 3.19Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 3.34Å |
| 127 | Q | 96.7 | Very high | 97.7 | Very high | 138 Ų | 138 | 90.2 Ų | 90.2 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -76.9 | -44.8 | 177.4 | -65.7 | 177 | 13.1 | 0 | 0 | 112.2 | E123 L124 F125 | E123-Q127 WeakPolarHBondContact O-CG 3.32Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.32Å; L124-Q127 PolarHBondContact O-N 3.45Å; F125-Q127 VanDerWaalsContact C-N 3.3Å; F125-Q127 PolarHBondContact O-N 3Å |
| 128 | N | 96.7 | Very high | 97.7 | Very high | 74 Ų | 74 | 94.1 Ų | 94.1 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | trans | -154.1 | 112.2 | -178.4 | -178 | 8.4 | 0 | 0 | 0 | 111.4 | L124 F125 Y130 P131 | L124-N128 CarbonylContact O-C 3.53Å; L124-N128 PolarHBondContact O-N 3.26Å; L124-N128 VanDerWaalsContact O-O 3.13Å; F125-N128 CarbonylContact O-C 3.51Å; N128-Y130 PolarHBondContact ND2-O 3.24Å; N128-Y130 PolarHBondContact O-N 3.47Å; N128-Y130 VanDerWaalsContact OD1-C 3.28Å; N128-Y130 PolarHBondContact OD1-N 3.12Å; N128-Y130 PolarHBondContact OD1-O 3.26Å; N128-P131 WeakPolarHBondContact ND2-CA 3.32Å | ||
| 129 | Q | 97.6 | Very high | 97.6 | Very high | 109 Ų | 109 | 91.8 Ų | 91.8 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -70.7 | -19.7 | 178.5 | -60.9 | -176.5 | -6.1 | 0 | 0 | 113.6 | F125 | F125-Q129 HydrophobicContact CD1-CG 4.35Å; F125-Q129 HydrophobicContact CD2-CB 4.16Å; F125-Q129 HydrophobicContact CD2-CG 4.03Å; F125-Q129 HydrophobicContact CE1-CG 3.99Å; F125-Q129 HydrophobicContact CE2-CB 3.77Å; F125-Q129 HydrophobicContact CE2-CG 3.64Å; F125-Q129 HydrophobicContact CG-CG 4.37Å; F125-Q129 HydrophobicContact CZ-CB 4.21Å; F125-Q129 HydrophobicContact CZ-CG 3.62Å; F125-Q129 WeakPolarHBondContact O-CG 3.39Å; F125-Q129 PolarHBondContact O-N 3.33Å |
| 130 | Y | 97.6 | Very high | 97.6 | Very high | 198 Ų | 198 | 89.3 Ų | 89.3 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -128.4 | 73 | -179 | -58.6 | -67.6 | 0 | 0 | 0 | 110.9 | N128 | N128-Y130 PolarHBondContact ND2-O 3.24Å; N128-Y130 PolarHBondContact O-N 3.47Å; N128-Y130 VanDerWaalsContact OD1-C 3.28Å; N128-Y130 PolarHBondContact OD1-N 3.12Å; N128-Y130 PolarHBondContact OD1-O 3.26Å |
| 131 | P | 97 | Very high | 97.6 | Very high | 23 Ų | 23 | 94.7 Ų | 94.7 | 15% | 0.149 | 46% | 0.461 | C | S | . | . | trans | -66.4 | 147.1 | 178.3 | 27 | -33.7 | 0 | 0 | 0 | 111.7 | L124 N128 A135 R136 | L124-P131 HydrophobicContact CD2-CB 4.15Å; L124-P131 HydrophobicContact CD2-CG 4.06Å; N128-P131 WeakPolarHBondContact ND2-CA 3.32Å; P131-A135 HydrophobicContact CB-CB 3.73Å; P131-R136 HydrophobicContact CB-CG 4.04Å; P131-R136 HydrophobicContact CG-CG 3.71Å; P131-R136 PolarHBondContact O-NH1 3Å | ||
| 132 | D | 98.1 | Very high | 97.5 | Very high | 101 Ų | 101 | 99 Ų | 99 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | trans | -72.8 | -179.1 | 173.8 | 71.5 | 15.2 | 0 | 0 | 0 | 112.1 | N134 A135 R136 | D132-N134 VanDerWaalsContact C-N 3.34Å; D132-N134 PolarHBondContact O-N 3.02Å; D132-N134 PolarHBondContact OD1-N 2.99Å; D132-N134 VanDerWaalsContact OD1-N 3.1Å; D132-A135 VanDerWaalsContact OD1-CB 3.32Å; D132-A135 WeakPolarHBondContact OD1-CB 3.33Å; D132-A135 PolarHBondContact OD1-N 3.49Å; D132-R136 WeakPolarHBondContact O-CG 3.38Å; D132-R136 PolarHBondContact O-N 3.38Å; D132-R136 VanDerWaalsContact O-N 3.1Å | ||
| 133 | V | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 93.9 Ų | 93.9 | 52% | 0.515 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | -178.8 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | R136 E137 | V133-R136 PolarHBondContact O-N 3.1Å; V133-E137 HydrophobicContact CG1-CG 4.34Å; V133-E137 WeakPolarHBondContact O-CG 3.34Å; V133-E137 PolarHBondContact O-N 3.1Å |
| 134 | N | 97.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 95 Ų | 95 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | -176.2 | -173.9 | 4.6 | 0 | 0 | 0 | 111.5 | D132 R136 E137 K138 | D132-N134 VanDerWaalsContact C-N 3.34Å; D132-N134 PolarHBondContact O-N 3.02Å; D132-N134 PolarHBondContact OD1-N 2.99Å; D132-N134 VanDerWaalsContact OD1-N 3.1Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; N134-E137 PolarHBondContact O-N 3.43Å; N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.1Å; N134-K138 WeakPolarHBondContact OD1-CE 3.14Å |
| 135 | A | 97.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 99 Ų | 99 | 23% | 0.231 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P131 D132 L139 | P131-A135 HydrophobicContact CB-CB 3.73Å; D132-A135 VanDerWaalsContact OD1-CB 3.32Å; D132-A135 WeakPolarHBondContact OD1-CB 3.33Å; D132-A135 PolarHBondContact OD1-N 3.49Å; A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.46Å |
| 136 | R | 98.1 | Very high | 97.1 | Very high | 131 Ų | 131 | 98.4 Ų | 98.4 | 49% | 0.494 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.4 | -69.2 | -171.5 | -53.8 | -105.5 | 5.8 | 112.8 | P131 D132 V133 N134 L139 A140 | P131-R136 HydrophobicContact CB-CG 4.04Å; P131-R136 HydrophobicContact CG-CG 3.71Å; P131-R136 PolarHBondContact O-NH1 3Å; D132-R136 WeakPolarHBondContact O-CG 3.38Å; D132-R136 PolarHBondContact O-N 3.38Å; D132-R136 VanDerWaalsContact O-N 3.1Å; V133-R136 PolarHBondContact O-N 3.1Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; R136-L139 PolarHBondContact O-N 3.08Å; R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 2.97Å |
| 137 | E | 98.2 | Very high | 97 | Very high | 108 Ų | 108 | 95.6 Ų | 95.6 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.7 | -76.5 | 176.7 | 169.9 | 0 | 0 | 112.1 | V133 N134 A140 Q141 | V133-E137 HydrophobicContact CG1-CG 4.34Å; V133-E137 WeakPolarHBondContact O-CG 3.34Å; V133-E137 PolarHBondContact O-N 3.1Å; N134-E137 PolarHBondContact O-N 3.43Å; E137-A140 PolarHBondContact O-N 3.04Å; E137-Q141 WeakPolarHBondContact O-CG 3.34Å; E137-Q141 PolarHBondContact O-N 3.48Å |
| 138 | K | 97.4 | Very high | 97 | Very high | 117 Ų | 117 | 93.3 Ų | 93.3 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 174 | -74.7 | 177.1 | 178.4 | 179.4 | 0 | 111.7 | N134 A140 Q141 Q142 | N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.1Å; N134-K138 WeakPolarHBondContact OD1-CE 3.14Å; K138-A140 VanDerWaalsContact C-N 3.35Å; K138-A140 PolarHBondContact O-N 3.07Å; K138-Q141 PolarHBondContact O-N 3.11Å; K138-Q142 WeakPolarHBondContact O-CG 3.37Å; K138-Q142 PolarHBondContact O-N 3.46Å |
| 139 | L | 97.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 94.4 Ų | 94.4 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 177.8 | -172 | 72.2 | 0 | 0 | 0 | 111.2 | A120 L121 L124 A135 R136 Q141 Q142 T143 | A120-L139 HydrophobicContact CB-CD1 4.36Å; L121-L139 HydrophobicContact CD2-CD2 3.58Å; L121-L139 HydrophobicContact CD2-CG 4.5Å; L124-L139 HydrophobicContact CB-CD1 4.43Å; L124-L139 HydrophobicContact CD2-CB 4.31Å; L124-L139 HydrophobicContact CD2-CD1 4.27Å; L124-L139 HydrophobicContact CD2-CD2 3.49Å; L124-L139 VanDerWaalsContact CD2-CD2 3.49Å; L124-L139 HydrophobicContact CD2-CG 4.23Å; A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.46Å; R136-L139 PolarHBondContact O-N 3.08Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.16Å; L139-Q142 WeakPolarHBondContact O-CB 3.42Å; L139-Q142 PolarHBondContact O-N 2.8Å; L139-T143 HydrophobicContact CD1-CG2 4.29Å; L139-T143 HydrophobicContact CG-CG2 4.4Å; L139-T143 PolarHBondContact O-N 3.14Å; L139-T143 PolarHBondContact O-OG1 3.12Å |
| 140 | A | 97.6 | Very high | 97 | Very high | 36 Ų | 36 | 93.5 Ų | 93.5 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R136 E137 K138 N144 L145 | R136-A140 WeakPolarHBondContact O-CB 3.44Å; R136-A140 PolarHBondContact O-N 2.97Å; E137-A140 PolarHBondContact O-N 3.04Å; K138-A140 VanDerWaalsContact C-N 3.35Å; K138-A140 PolarHBondContact O-N 3.07Å; A140-N144 VanDerWaalsContact O-CA 3.3Å; A140-N144 WeakPolarHBondContact O-CA 3.31Å; A140-N144 PolarHBondContact O-N 3.11Å; A140-L145 PolarHBondContact O-N 3.41Å; A140-L145 VanDerWaalsContact O-N 3.13Å |
| 141 | Q | 97.4 | Very high | 97 | Very high | 143 Ų | 143 | 86.5 Ų | 86.5 | 67% | 0.668 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 174.4 | -69.9 | 171.5 | 34.1 | 0 | 0 | 112.3 | E137 K138 L139 | E137-Q141 WeakPolarHBondContact O-CG 3.34Å; E137-Q141 PolarHBondContact O-N 3.48Å; K138-Q141 PolarHBondContact O-N 3.11Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.16Å |
| 142 | Q | 96.1 | Very high | 97 | Very high | 147 Ų | 147 | 91.1 Ų | 91.1 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69 | -42.4 | 178.1 | -70.5 | 174.7 | -65.6 | 0 | 0 | 112 | K138 L139 | K138-Q142 WeakPolarHBondContact O-CG 3.37Å; K138-Q142 PolarHBondContact O-N 3.46Å; L139-Q142 WeakPolarHBondContact O-CB 3.42Å; L139-Q142 PolarHBondContact O-N 2.8Å |
| 143 | T | 96.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 90.3 Ų | 90.3 | 5% | 0.049 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -90.1 | -6.9 | -176.2 | 59.3 | 0 | 0 | 0 | 0 | 114 | Q117 A120 L139 L145 | Q117-T143 PolarHBondContact NE2-O 3.28Å; A120-T143 HydrophobicContact CB-CG2 3.88Å; L139-T143 HydrophobicContact CD1-CG2 4.29Å; L139-T143 HydrophobicContact CG-CG2 4.4Å; L139-T143 PolarHBondContact O-N 3.14Å; L139-T143 PolarHBondContact O-OG1 3.12Å; T143-L145 WeakPolarHBondContact OG1-CD1 3.23Å; T143-L145 WeakPolarHBondContact OG1-CG 3.43Å |
| 144 | N | 95.8 | Very high | 96.8 | Very high | 143 Ų | 143 | 90.8 Ų | 90.8 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 48.9 | -172.1 | -59.9 | -69.4 | 0 | 0 | 0 | 113.2 | A140 | A140-N144 VanDerWaalsContact O-CA 3.3Å; A140-N144 WeakPolarHBondContact O-CA 3.31Å; A140-N144 PolarHBondContact O-N 3.11Å |
| 145 | L | 92.5 | Very high | 96.7 | Very high | 121 Ų | 121 | 91.3 Ų | 91.3 | 63% | 0.634 | 45% | 0.45 | S | S | * | . | trans | -109.6 | 0 | 180 | -67.4 | 178.7 | 0 | 0 | 0 | 113.3 | F113 L121 A140 T143 | F113-L145 HydrophobicContact CD1-CD1 3.97Å; F113-L145 HydrophobicContact CD1-CD2 3.93Å; F113-L145 HydrophobicContact CE1-CD1 3.53Å; F113-L145 HydrophobicContact CE1-CD2 3.64Å; F113-L145 HydrophobicContact CE1-CG 4.25Å; L121-L145 HydrophobicContact CD1-CD1 4.41Å; A140-L145 PolarHBondContact O-N 3.41Å; A140-L145 VanDerWaalsContact O-N 3.13Å; T143-L145 WeakPolarHBondContact OG1-CD1 3.23Å; T143-L145 WeakPolarHBondContact OG1-CG 3.43Å |
Retrieved 145 of 145 residues in 46.9 ms
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