| 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 | 39 | Very low | 35.4 | Very low | 241 Ų | 241 | 168 Ų | 168 | 100% | 1.187 | 86% | 0.864 | S | S | * | * | 0 | 120.2 | 0 | -72.5 | 164.6 | 89.6 | 0 | 0 | 109.2 | |||||
| 2 | K | 41.4 | Very low | 35.2 | Very low | 208 Ų | 208 | 168.2 Ų | 168.2 | 90% | 0.904 | 87% | 0.866 | S | S | * | * | trans | 175.5 | 98.9 | 143.5 | -94.9 | 177 | -170.5 | -172.3 | 0 | 105.9 | ||||
| 3 | K | 34.8 | Very low | 35.2 | Very low | 190 Ų | 190 | 163.5 Ų | 163.5 | 83% | 0.826 | 86% | 0.858 | S | S | * | * | trans | -69.8 | 136.6 | 174.7 | -75.9 | 172.2 | 172.3 | 175.5 | 0 | 108.3 | ||||
| 4 | C | 37 | Very low | 34.9 | Very low | 131 Ų | 131 | 162 Ų | 162 | 89% | 0.885 | 86% | 0.859 | S | S | * | * | trans | -122.5 | 100 | 157.9 | -70.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | N | 35.1 | Very low | 34.9 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 68% | 0.684 | 84% | 0.837 | S | S | * | * | trans | -79.6 | 152.4 | 173 | -74.3 | -20.7 | 0 | 0 | 0 | 110.4 | ||||
| 6 | N | 33.4 | Very low | 34.8 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 59.3 | 121.5 | 156.4 | -68.3 | -11.6 | 0 | 0 | 0 | 118.1 | ||||
| 7 | L | 36.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -165.5 | 113.5 | 130.2 | -95.6 | 163.1 | 0 | 0 | 0 | 109 | ||||
| 8 | F | 34 | Very low | 34.5 | Very low | 187 Ų | 187 | 158.1 Ų | 158.1 | 82% | 0.82 | 83% | 0.829 | S | S | * | * | trans | 12.6 | 123.5 | 159.4 | -72.9 | -93.4 | 0 | 0 | 0 | 121 | I10 | F8-I10 PolarHBondContact O-N 2.8Š| ||
| 9 | L | 28.2 | Very low | 34.7 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | -66.5 | 116.2 | 158.6 | -77.4 | 154 | 0 | 0 | 0 | 109.5 | ||||
| 10 | I | 36.2 | Very low | 35.1 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -110.3 | 120.5 | 163.9 | -63.3 | 174.4 | 0 | 0 | 0 | 107.1 | F8 | F8-I10 PolarHBondContact O-N 2.8Š| ||
| 11 | S | 33.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 128.2 | 176.2 | 41.9 | 0 | 0 | 0 | 0 | 110.9 | S13 | S11-S13 PolarHBondContact O-N 3.01Š| ||
| 12 | L | 32.9 | Very low | 36.1 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -83.3 | 108.2 | 168.2 | -83.6 | 123.5 | 0 | 0 | 0 | 108.8 | ||||
| 13 | S | 36 | Very low | 36.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -79.7 | 119.5 | 162.5 | 57.2 | 0 | 0 | 0 | 0 | 109 | S11 S15 | S11-S13 PolarHBondContact O-N 3.01Å; S13-S15 PolarHBondContact O-N 2.98Å; S13-S15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | T | 30.8 | Very low | 37.9 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | trans | -76 | 89.9 | 171.5 | 49.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | S | 34.5 | Very low | 38.9 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | trans | -94.7 | 91.6 | 171.1 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | S13 K17 | S13-S15 PolarHBondContact O-N 2.98Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S15-K17 PolarHBondContact O-N 3.16Å; S15-K17 VanDerWaalsContact O-N 3.07Å; S15-K17 WeakPolarHBondContact OG-CD 3.31Å; S15-K17 WeakPolarHBondContact OG-CG 3.27Å | ||
| 16 | S | 33.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -64.6 | 99.5 | 157.7 | 163.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 17 | K | 32.6 | Very low | 41.8 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | trans | -135 | 85.5 | 168.3 | -74.3 | -178.4 | -174.1 | 179.5 | 0 | 108.7 | S15 P19 | S15-K17 PolarHBondContact O-N 3.16Å; S15-K17 VanDerWaalsContact O-N 3.07Å; S15-K17 WeakPolarHBondContact OG-CD 3.31Å; S15-K17 WeakPolarHBondContact OG-CG 3.27Å; K17-P19 WeakPolarHBondContact O-CD 3.34Å | ||
| 18 | Y | 32 | Very low | 43.4 | Very low | 218 Ų | 218 | 135.9 Ų | 135.9 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | -69.8 | 115.4 | 151.1 | -70.4 | -79.9 | 0 | 0 | 0 | 106.5 | S20 | Y18-S20 PolarHBondContact O-N 3.1Š| ||
| 19 | P | 38.5 | Very low | 45 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | trans | -79.4 | 122.3 | 179.5 | 32.7 | -30.8 | 0 | 0 | 0 | 108.2 | K17 N21 | K17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-N21 HydrophobicContact CB-CB 4.04Å; P19-N21 HydrophobicContact CG-CB 4.46Å; P19-N21 PolarHBondContact O-N 3.22Å | ||
| 20 | S | 41.5 | Very low | 47 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | -66 | 77.9 | 162.4 | 62.7 | 0 | 0 | 0 | 0 | 108.7 | Y18 | Y18-S20 PolarHBondContact O-N 3.1Š| ||
| 21 | N | 43.8 | Very low | 48.4 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | trans | -128.1 | 35.5 | -169.7 | -106.4 | -14.5 | 0 | 0 | 0 | 113.5 | P19 K23 K24 | P19-N21 HydrophobicContact CB-CB 4.04Å; P19-N21 HydrophobicContact CG-CB 4.46Å; P19-N21 PolarHBondContact O-N 3.22Å; N21-K23 PolarHBondContact O-N 3.22Å; N21-K24 PolarHBondContact O-N 2.88Å | ||
| 22 | N | 52.9 | Low | 50 | Low | 137 Ų | 137 | 115.9 Ų | 115.9 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.6 | -23.7 | 171 | -80.7 | -6.9 | 0 | 0 | 0 | 112.7 | K24 H25 | N22-K24 PolarHBondContact O-N 3.28Å; N22-H25 PolarHBondContact O-N 3.19Å |
| 23 | K | 55 | Low | 51.4 | Low | 158 Ų | 158 | 109.2 Ų | 109.2 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -36.8 | 177.4 | -74.1 | -167.7 | 177.4 | -165.9 | 0 | 113.9 | N21 H25 W26 E27 | N21-K23 PolarHBondContact O-N 3.22Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3Å; K23-W26 PolarHBondContact O-N 3.26Å; K23-E27 PolarHBondContact O-N 3.36Å |
| 24 | K | 58.2 | Low | 52.5 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.6 | -25.2 | -177.5 | -70.8 | -168.7 | 178 | -169.6 | 0 | 114 | N21 N22 | N21-K24 PolarHBondContact O-N 2.88Å; N22-K24 PolarHBondContact O-N 3.28Å |
| 25 | H | 59.1 | Low | 54.2 | Low | 119 Ų | 119 | 110 Ų | 110 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -37.9 | 179.6 | -176 | 61.4 | 0 | 0 | 0 | 111.7 | N22 K23 | N22-H25 PolarHBondContact O-N 3.19Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3Å |
| 26 | W | 61.5 | Low | 55.4 | Low | 56 Ų | 56 | 113.7 Ų | 113.7 | 21% | 0.212 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -75.2 | -35.3 | -177.9 | -61.8 | 110.4 | 0 | 0 | 0 | 113.1 | K23 K28 L29 G30 V31 P33 I54 V56 | K23-W26 PolarHBondContact O-N 3.26Å; W26-K28 VanDerWaalsContact C-N 3.34Å; W26-K28 PolarHBondContact O-N 3.33Å; W26-L29 PolarHBondContact O-N 3.29Å; W26-L29 VanDerWaalsContact O-N 3.11Å; W26-G30 PolarHBondContact O-N 3.31Å; W26-V31 CarbonylContact C-O 3.52Å; W26-V31 WeakPolarHBondContact CB-O 3.4Å; W26-V31 HydrophobicContact CE3-CB 4.15Å; W26-V31 HydrophobicContact CE3-CG1 4.03Å; W26-V31 HydrophobicContact CZ3-CG1 4.38Å; W26-V31 PolarHBondContact O-N 3.39Å; W26-V31 VanDerWaalsContact O-N 3.1Å; W26-P33 HydrophobicContact CG-CG 4.3Å; W26-I54 HydrophobicContact CH2-CG2 3.85Å; W26-I54 HydrophobicContact CZ3-CG2 3.58Å; W26-V56 HydrophobicContact CZ3-CG2 4.42Å |
| 27 | E | 67.5 | Low | 56.7 | Low | 140 Ų | 140 | 111.4 Ų | 111.4 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.1 | -38.3 | 175.1 | -75 | 178.4 | 170.5 | 0 | 0 | 112.5 | K23 L29 G30 | K23-E27 PolarHBondContact O-N 3.36Å; E27-L29 PolarHBondContact O-N 3.41Å; E27-G30 PolarHBondContact O-N 3.28Å; E27-G30 VanDerWaalsContact O-N 3.13Å |
| 28 | K | 70 | Confident | 58 | Low | 187 Ų | 187 | 104.7 Ų | 104.7 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -23.9 | 176.4 | -169.8 | 175.7 | 179.8 | -173.8 | 0 | 112.7 | W26 | W26-K28 VanDerWaalsContact C-N 3.34Å; W26-K28 PolarHBondContact O-N 3.33Å |
| 29 | L | 66.5 | Low | 59.3 | Low | 37 Ų | 37 | 100.7 Ų | 100.7 | 19% | 0.194 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.5 | -178.9 | -59.8 | 168.1 | 0 | 0 | 0 | 112.3 | W26 E27 V31 Y43 I54 | W26-L29 PolarHBondContact O-N 3.29Å; W26-L29 VanDerWaalsContact O-N 3.11Å; E27-L29 PolarHBondContact O-N 3.41Å; L29-V31 HydrophobicContact CB-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.29Å; L29-Y43 HydrophobicContact CD2-CD2 3.87Å; L29-Y43 HydrophobicContact CD2-CE2 3.4Å; L29-Y43 VanDerWaalsContact CD2-CE2 3.4Å; L29-I54 HydrophobicContact CB-CD1 4.47Å; L29-I54 HydrophobicContact CD1-CD1 3.78Å |
| 30 | G | 71 | Confident | 60.5 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 76% | 0.763 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W26 E27 | W26-G30 PolarHBondContact O-N 3.31Å; E27-G30 PolarHBondContact O-N 3.28Å; E27-G30 VanDerWaalsContact O-N 3.13Å |
| 31 | V | 65.6 | Low | 61.5 | Low | 10 Ų | 10 | 94.7 Ų | 94.7 | 6% | 0.061 | 49% | 0.488 | C | S | . | . | trans | -106 | 118.5 | -176 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | W26 L29 P33 I54 V56 | W26-V31 CarbonylContact C-O 3.52Å; W26-V31 WeakPolarHBondContact CB-O 3.4Å; W26-V31 HydrophobicContact CE3-CB 4.15Å; W26-V31 HydrophobicContact CE3-CG1 4.03Å; W26-V31 HydrophobicContact CZ3-CG1 4.38Å; W26-V31 PolarHBondContact O-N 3.39Å; W26-V31 VanDerWaalsContact O-N 3.1Å; L29-V31 HydrophobicContact CB-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.29Å; V31-P33 WeakPolarHBondContact O-CD 3.26Å; V31-I54 HydrophobicContact CG2-CD1 4.48Å; V31-V56 HydrophobicContact CG1-CG2 3.97Å | ||
| 32 | N | 67 | Low | 62.4 | Low | 95 Ų | 95 | 95.9 Ų | 95.9 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | trans | -97 | 101.9 | 169 | -95.5 | -34.4 | 0 | 0 | 0 | 109.4 | D34 Q35 | N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 VanDerWaalsContact O-N 3.13Å; N32-Q35 HydrophobicContact CB-CB 4.36Å; N32-Q35 HydrophobicContact CB-CG 4.33Å; N32-Q35 PolarHBondContact O-N 3.34Å | ||
| 33 | P | 61.6 | Low | 63 | Low | 29 Ų | 29 | 91.5 Ų | 91.5 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.4 | -176.3 | 27.1 | -35 | 0 | 0 | 0 | 113.3 | W26 V31 V56 | W26-P33 HydrophobicContact CG-CG 4.3Å; V31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-V56 HydrophobicContact CB-CG1 3.64Å |
| 34 | D | 60.8 | Low | 63.3 | Low | 113 Ų | 113 | 92.4 Ų | 92.4 | 60% | 0.604 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -15.7 | -175.6 | -59.4 | -23.8 | 0 | 0 | 0 | 113.4 | N32 | N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 VanDerWaalsContact O-N 3.13Å |
| 35 | Q | 64.9 | Low | 63.5 | Low | 154 Ų | 154 | 89.4 Ų | 89.4 | 72% | 0.72 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -33.7 | -177 | -91.4 | -179 | -22.5 | 0 | 0 | 113.7 | N32 | N32-Q35 HydrophobicContact CB-CB 4.36Å; N32-Q35 HydrophobicContact CB-CG 4.33Å; N32-Q35 PolarHBondContact O-N 3.34Å |
| 36 | K | 59.9 | Low | 63.9 | Low | 155 Ų | 155 | 91 Ų | 91 | 67% | 0.674 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -151.2 | 84 | -179.9 | -69.4 | -172.9 | -178.4 | 176.4 | 0 | 111.1 | G38 F39 | K36-G38 PolarHBondContact O-N 3Å; K36-F39 HydrophobicContact CB-CB 4.33Å |
| 37 | P | 60.2 | Low | 64.1 | Low | 59 Ų | 59 | 97.1 Ų | 97.1 | 38% | 0.383 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134.5 | 175.1 | 22.9 | -31.2 | 0 | 0 | 0 | 111.1 | N58 | P37-N58 PolarHBondContact O-OD1 3.41Š|
| 38 | G | 61.5 | Low | 64.1 | Low | 34 Ų | 34 | 94.5 Ų | 94.5 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K36 N58 | K36-G38 PolarHBondContact O-N 3Å; G38-N58 WeakPolarHBondContact CA-OD1 3.24Å; G38-N58 PolarHBondContact N-OD1 3.2Å |
| 39 | F | 59.3 | Low | 64 | Low | 133 Ų | 133 | 87.1 Ų | 87.1 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -96.1 | 132 | 172.6 | -166.4 | -101 | 0 | 0 | 0 | 110.6 | K36 T41 | K36-F39 HydrophobicContact CB-CB 4.33Å; F39-T41 HydrophobicContact CD1-CG2 3.96Å; F39-T41 HydrophobicContact CE1-CG2 4.41Å |
| 40 | S | 63 | Low | 64.1 | Low | 45 Ų | 45 | 89.4 Ų | 89.4 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.5 | 173.6 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | L53 I54 | S40-L53 WeakPolarHBondContact OG-CD2 3.43Å; S40-I54 PolarHBondContact OG-O 3.21Å |
| 41 | T | 63.1 | Low | 63.8 | Low | 47 Ų | 47 | 95.2 Ų | 95.2 | 29% | 0.288 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.8 | 174.9 | 51.7 | 0 | 0 | 0 | 0 | 109 | F39 I54 | F39-T41 HydrophobicContact CD1-CG2 3.96Å; F39-T41 HydrophobicContact CE1-CG2 4.41Å; T41-I54 PolarHBondContact O-N 3.19Å |
| 42 | T | 62.1 | Low | 63.7 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.8 | 169.1 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | L53 | T42-L53 HydrophobicContact CG2-CD2 3.67Å; T42-L53 HydrophobicContact CG2-CG 4.03Å |
| 43 | Y | 65.6 | Low | 63.6 | Low | 45 Ų | 45 | 97.8 Ų | 97.8 | 18% | 0.176 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 154.7 | 169.9 | 80.3 | -73.1 | 0 | 0 | 0 | 109.5 | L29 E45 S52 I54 | L29-Y43 HydrophobicContact CD2-CD2 3.87Å; L29-Y43 HydrophobicContact CD2-CE2 3.4Å; L29-Y43 VanDerWaalsContact CD2-CE2 3.4Å; Y43-E45 HydrophobicContact CD2-CG 4.27Å; Y43-E45 HydrophobicContact CE2-CG 3.42Å; Y43-E45 VanDerWaalsContact CE2-CG 3.42Å; Y43-E45 PolarHBondContact OH-OE1 3.42Å; Y43-S52 VanDerWaalsContact CD1-O 3.3Å; Y43-S52 WeakPolarHBondContact CD1-O 3.09Å; Y43-S52 WeakPolarHBondContact CE1-OG 3.17Å; Y43-S52 PolarHBondContact N-O 3.3Å; Y43-S52 PolarHBondContact O-N 3.2Å; Y43-S52 PolarHBondContact OH-OG 2.69Å; Y43-I54 HydrophobicContact CD1-CD1 3.29Å; Y43-I54 HydrophobicContact CD1-CG1 3.61Å; Y43-I54 HydrophobicContact CE1-CD1 3.15Å; Y43-I54 HydrophobicContact CE1-CG1 3.32Å; Y43-I54 HydrophobicContact CG-CD1 4.23Å |
| 44 | R | 61.1 | Low | 63.7 | Low | 176 Ų | 176 | 97.7 Ų | 97.7 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.4 | 177.8 | -165.2 | 179.2 | -169.5 | -172.5 | -1.2 | 107.9 | V46 G49 R51 | R44-V46 PolarHBondContact O-N 3.16Å; R44-G49 PolarHBondContact NE-O 3.14Å; R44-R51 HydrophobicContact CG-CG 4.47Å |
| 45 | E | 62.7 | Low | 63.5 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 34% | 0.341 | 51% | 0.506 | S | S | . | . | trans | -68.3 | 128 | 176.4 | -78.1 | 179.8 | 178.4 | 0 | 0 | 110.2 | Y43 E47 T48 G49 V50 | Y43-E45 HydrophobicContact CD2-CG 4.27Å; Y43-E45 HydrophobicContact CE2-CG 3.42Å; Y43-E45 VanDerWaalsContact CE2-CG 3.42Å; Y43-E45 PolarHBondContact OH-OE1 3.42Å; E45-E47 PolarHBondContact O-N 3.02Å; E45-T48 VanDerWaalsContact CB-OG1 3.29Å; E45-T48 WeakPolarHBondContact CB-OG1 3.37Å; E45-T48 PolarHBondContact OE2-OG1 3.24Å; E45-T48 VanDerWaalsContact OE2-OG1 3.05Å; E45-G49 WeakPolarHBondContact O-CA 3.38Å; E45-G49 PolarHBondContact O-N 3.1Å; E45-V50 PolarHBondContact N-O 2.97Å; E45-V50 VanDerWaalsContact N-O 3.15Å | ||
| 46 | V | 66.7 | Low | 63.3 | Low | 151 Ų | 151 | 91.7 Ų | 91.7 | 92% | 0.915 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.3 | -174.3 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | R44 | R44-V46 PolarHBondContact O-N 3.16Š|
| 47 | E | 66.3 | Low | 62.9 | Low | 186 Ų | 186 | 88.6 Ų | 88.6 | 87% | 0.869 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -34.5 | -174.3 | -65 | 175.4 | -171.4 | 0 | 0 | 113.1 | E45 | E45-E47 PolarHBondContact O-N 3.02Š|
| 48 | T | 67.5 | Low | 62.7 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -15.9 | -172.7 | 58.9 | 0 | 0 | 0 | 0 | 113 | E45 V50 | E45-T48 VanDerWaalsContact CB-OG1 3.29Å; E45-T48 WeakPolarHBondContact CB-OG1 3.37Å; E45-T48 PolarHBondContact OE2-OG1 3.24Å; E45-T48 VanDerWaalsContact OE2-OG1 3.05Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-V50 VanDerWaalsContact O-N 3.09Å |
| 49 | G | 68.3 | Low | 62.1 | Low | 32 Ų | 32 | 92.9 Ų | 92.9 | 33% | 0.33 | 48% | 0.477 | S | S | . | . | trans | 69.5 | -1.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R44 E45 | R44-G49 PolarHBondContact NE-O 3.14Å; E45-G49 WeakPolarHBondContact O-CA 3.38Å; E45-G49 PolarHBondContact O-N 3.1Å | ||
| 50 | V | 68.6 | Low | 61.7 | Low | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | trans | -70.3 | 136.4 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | E45 T48 | E45-V50 PolarHBondContact N-O 2.97Å; E45-V50 VanDerWaalsContact N-O 3.15Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-V50 VanDerWaalsContact O-N 3.09Å | ||
| 51 | R | 63.8 | Low | 60.7 | Low | 197 Ų | 197 | 101.8 Ų | 101.8 | 74% | 0.743 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.5 | 172.6 | -76.3 | -179.4 | 164.5 | 172.9 | -3.9 | 108.8 | R44 | R44-R51 HydrophobicContact CG-CG 4.47Å |
| 52 | S | 64.5 | Low | 59.5 | Low | 30 Ų | 30 | 104.3 Ų | 104.3 | 21% | 0.21 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.3 | 175.8 | 32.4 | 0 | 0 | 0 | 0 | 109.9 | Y43 | Y43-S52 VanDerWaalsContact CD1-O 3.3Å; Y43-S52 WeakPolarHBondContact CD1-O 3.09Å; Y43-S52 WeakPolarHBondContact CE1-OG 3.17Å; Y43-S52 PolarHBondContact N-O 3.3Å; Y43-S52 PolarHBondContact O-N 3.2Å; Y43-S52 PolarHBondContact OH-OG 2.69Å |
| 53 | L | 65 | Low | 58.4 | Low | 128 Ų | 128 | 102.9 Ų | 102.9 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.1 | 175.1 | -89.6 | 153.5 | 0 | 0 | 0 | 108.4 | S40 T42 | S40-L53 WeakPolarHBondContact OG-CD2 3.43Å; T42-L53 HydrophobicContact CG2-CD2 3.67Å; T42-L53 HydrophobicContact CG2-CG 4.03Å |
| 54 | I | 63.2 | Low | 57.3 | Low | 27 Ų | 27 | 111 Ų | 111 | 14% | 0.138 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.1 | 168.3 | -53.2 | 167.2 | 0 | 0 | 0 | 108.7 | W26 L29 V31 S40 T41 Y43 | W26-I54 HydrophobicContact CH2-CG2 3.85Å; W26-I54 HydrophobicContact CZ3-CG2 3.58Å; L29-I54 HydrophobicContact CB-CD1 4.47Å; L29-I54 HydrophobicContact CD1-CD1 3.78Å; V31-I54 HydrophobicContact CG2-CD1 4.48Å; S40-I54 PolarHBondContact OG-O 3.21Å; T41-I54 PolarHBondContact O-N 3.19Å; Y43-I54 HydrophobicContact CD1-CD1 3.29Å; Y43-I54 HydrophobicContact CD1-CG1 3.61Å; Y43-I54 HydrophobicContact CE1-CD1 3.15Å; Y43-I54 HydrophobicContact CE1-CG1 3.32Å; Y43-I54 HydrophobicContact CG-CD1 4.23Å |
| 55 | H | 55.4 | Low | 56.2 | Low | 135 Ų | 135 | 109 Ų | 109 | 63% | 0.625 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.7 | 170.9 | -168.4 | 71.9 | 0 | 0 | 0 | 108.9 | P57 | H55-P57 WeakPolarHBondContact O-CD 3.36Å |
| 56 | V | 60.7 | Low | 55 | Low | 6 Ų | 6 | 111.5 Ų | 111.5 | 4% | 0.036 | 61% | 0.609 | C | S | . | * | trans | -82.2 | 118.7 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | W26 V31 P33 N58 | W26-V56 HydrophobicContact CZ3-CG2 4.42Å; V31-V56 HydrophobicContact CG1-CG2 3.97Å; P33-V56 HydrophobicContact CB-CG1 3.64Å; V56-N58 PolarHBondContact O-N 3.39Å | ||
| 57 | P | 53.5 | Low | 53.6 | Low | 91 Ų | 91 | 108 Ų | 108 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | trans | -63.9 | 133.2 | -177.8 | 24.8 | -32.1 | 0 | 0 | 0 | 110.8 | H55 H59 | H55-P57 WeakPolarHBondContact O-CD 3.36Å; P57-H59 PolarHBondContact O-N 2.92Å; P57-H59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | N | 54.5 | Low | 52.4 | Low | 84 Ų | 84 | 105.4 Ų | 105.4 | 45% | 0.449 | 61% | 0.606 | S | S | . | * | trans | -63.3 | 109.5 | 174.9 | -99.4 | -33.1 | 0 | 0 | 0 | 110.1 | P37 G38 V56 R60 | P37-N58 PolarHBondContact O-OD1 3.41Å; G38-N58 WeakPolarHBondContact CA-OD1 3.24Å; G38-N58 PolarHBondContact N-OD1 3.2Å; V56-N58 PolarHBondContact O-N 3.39Å; N58-R60 HydrophobicContact CB-CG 4.43Å; N58-R60 PolarHBondContact O-N 2.98Å | ||
| 59 | H | 49.2 | Very low | 51.4 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 45% | 0.454 | 61% | 0.613 | S | S | . | * | trans | -76.2 | 71.3 | 165.7 | 64.8 | -88.3 | 0 | 0 | 0 | 108.9 | P57 I61 | P57-H59 PolarHBondContact O-N 2.92Å; P57-H59 VanDerWaalsContact O-N 3.11Å; H59-I61 PolarHBondContact O-N 3.19Å | ||
| 60 | R | 50.4 | Low | 50.6 | Low | 220 Ų | 220 | 110.2 Ų | 110.2 | 83% | 0.83 | 64% | 0.638 | S | S | * | * | trans | -73.7 | 97.6 | 171.1 | -80 | -170.3 | 179.2 | -166.2 | 1.3 | 109.2 | N58 A62 | N58-R60 HydrophobicContact CB-CG 4.43Å; N58-R60 PolarHBondContact O-N 2.98Å; R60-A62 PolarHBondContact O-N 3.41Å | ||
| 61 | I | 43.2 | Very low | 49.9 | Very low | 146 Ų | 146 | 114 Ų | 114 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -47.7 | 128.4 | 151.8 | -66.1 | 166.9 | 0 | 0 | 0 | 107.6 | H59 G63 | H59-I61 PolarHBondContact O-N 3.19Å; I61-G63 PolarHBondContact O-N 3.47Å | ||
| 62 | A | 37.1 | Very low | 49.2 | Very low | 99 Ų | 99 | 108.9 Ų | 108.9 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -56.6 | 128.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R60 | R60-A62 PolarHBondContact O-N 3.41Š|
| 63 | G | 39.5 | Very low | 48.7 | Very low | 67 Ų | 67 | 116.7 Ų | 116.7 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | trans | 115.6 | 94 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I61 | I61-G63 PolarHBondContact O-N 3.47Š| ||
| 64 | K | 42.2 | Very low | 48.3 | Very low | 215 Ų | 215 | 116.2 Ų | 116.2 | 94% | 0.935 | 68% | 0.678 | S | S | * | * | 177.9 | 124.8 | 125.6 | -97.4 | 167.9 | 179.9 | -177.8 | 0 | 110.7 | |||||
| 65 | T | 37.6 | Very low | 48.3 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -84 | 131.2 | 171.4 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 66 | S | 38.5 | Very low | 48.6 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | 167.1 | 127.1 | 135.4 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 67 | G | 36.4 | Very low | 48.5 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 108.9 | 94.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 68 | S | 40.6 | Very low | 48.8 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | trans | 71.6 | 93.1 | 142.8 | -154.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 69 | S | 47.1 | Very low | 48.9 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -167.7 | 148.3 | 144.4 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | E71 | S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.28Å | ||
| 70 | S | 52.3 | Low | 49.2 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -62 | 74.8 | -170.6 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 71 | E | 52.8 | Low | 49.5 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -101.2 | 124 | 175.6 | -74.6 | 174 | 174 | 0 | 0 | 110 | S69 | S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.28Å | ||
| 72 | A | 49.6 | Very low | 49.9 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -45.6 | 141.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V74 | A72-V74 WeakPolarHBondContact O-CG2 3.07Å; A72-V74 PolarHBondContact O-N 3.15Å | ||
| 73 | Y | 54.7 | Low | 50.5 | Low | 193 Ų | 193 | 139.7 Ų | 139.7 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -40.3 | 97.6 | -179.7 | -179.4 | -101 | 0 | 0 | 0 | 112.1 | Q75 | Y73-Q75 HydrophobicContact CD1-CG 4.02Å; Y73-Q75 HydrophobicContact CE1-CB 4.48Å; Y73-Q75 HydrophobicContact CE1-CG 3.47Å; Y73-Q75 VanDerWaalsContact CE1-CG 3.47Å; Y73-Q75 PolarHBondContact O-N 3.46Å | ||
| 74 | V | 55.4 | Low | 51.2 | Low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -83.4 | 110.5 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 105.9 | A72 | A72-V74 WeakPolarHBondContact O-CG2 3.07Å; A72-V74 PolarHBondContact O-N 3.15Å | ||
| 75 | Q | 64.7 | Low | 51.8 | Low | 145 Ų | 145 | 135.2 Ų | 135.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130 | 174 | -77.8 | -177.3 | 1.6 | 0 | 0 | 109.8 | Y73 K77 | Y73-Q75 HydrophobicContact CD1-CG 4.02Å; Y73-Q75 HydrophobicContact CE1-CB 4.48Å; Y73-Q75 HydrophobicContact CE1-CG 3.47Å; Y73-Q75 VanDerWaalsContact CE1-CG 3.47Å; Y73-Q75 PolarHBondContact O-N 3.46Å; Q75-K77 PolarHBondContact O-N 3.34Å |
| 76 | P | 60.6 | Low | 52.6 | Low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 125.1 | 179.1 | 26.2 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 77 | K | 58.7 | Low | 53.4 | Low | 192 Ų | 192 | 140.9 Ų | 140.9 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.8 | 171.2 | -64.7 | 178.8 | -177.7 | 178.5 | 0 | 108.3 | Q75 L79 | Q75-K77 PolarHBondContact O-N 3.34Å; K77-L79 PolarHBondContact O-N 3.29Å |
| 78 | P | 59.7 | Low | 54.4 | Low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.6 | -178.1 | 23.9 | -32.5 | 0 | 0 | 0 | 111.2 | N80 | P78-N80 PolarHBondContact O-N 2.68Š|
| 79 | L | 57.2 | Low | 55.5 | Low | 180 Ų | 180 | 143.8 Ų | 143.8 | 94% | 0.942 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -66.6 | 5.3 | -176.1 | -88.4 | 148.9 | 0 | 0 | 0 | 115.2 | K77 I81 | K77-L79 PolarHBondContact O-N 3.29Å; L79-I81 PolarHBondContact O-N 2.71Å |
| 80 | N | 55.2 | Low | 56.1 | Low | 86 Ų | 86 | 140 Ų | 140 | 46% | 0.46 | 70% | 0.701 | S | S | . | * | trans | -97.4 | 96.5 | -175.8 | -165.5 | -6.5 | 0 | 0 | 0 | 112.2 | P78 R82 Y83 | P78-N80 PolarHBondContact O-N 2.68Å; N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 VanDerWaalsContact OD1-CB 3.27Å; N80-R82 WeakPolarHBondContact OD1-CB 3.13Å; N80-R82 PolarHBondContact OD1-N 3.47Å; N80-Y83 PolarHBondContact O-N 3.37Å | ||
| 81 | I | 55.5 | Low | 56.8 | Low | 171 Ų | 171 | 136.4 Ų | 136.4 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -14.1 | 173.4 | -66 | 148.9 | 0 | 0 | 0 | 112.6 | L79 | L79-I81 PolarHBondContact O-N 2.71Š|
| 82 | R | 52.9 | Low | 57.7 | Low | 233 Ų | 233 | 137.5 Ų | 137.5 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -12.9 | 174.4 | -57.6 | -175.8 | 174.3 | -140.2 | -1.1 | 113.9 | N80 N84 | N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 VanDerWaalsContact OD1-CB 3.27Å; N80-R82 WeakPolarHBondContact OD1-CB 3.13Å; N80-R82 PolarHBondContact OD1-N 3.47Å; R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 3.21Å |
| 83 | Y | 50 | Low | 58.7 | Low | 173 Ų | 173 | 140 Ų | 140 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | trans | -91 | 70.5 | 170.6 | -137.7 | -92.3 | 0 | 0 | 0 | 107.8 | N80 P85 | N80-Y83 PolarHBondContact O-N 3.37Å; Y83-P85 WeakPolarHBondContact O-CD 3.29Å; Y83-P85 VanDerWaalsContact O-N 3.17Å | ||
| 84 | N | 53 | Low | 59.2 | Low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | trans | -64 | 110.4 | 163.5 | -173.8 | -6.4 | 0 | 0 | 0 | 105.3 | R82 R86 | R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 3.21Å; N84-R86 PolarHBondContact O-N 3.43Å | ||
| 85 | P | 54.7 | Low | 59.6 | Low | 68 Ų | 68 | 135.5 Ų | 135.5 | 44% | 0.442 | 68% | 0.676 | S | S | . | * | trans | -65.1 | 96.6 | 172.8 | 29.1 | -29.8 | 0 | 0 | 0 | 105.4 | Y83 M87 | Y83-P85 WeakPolarHBondContact O-CD 3.29Å; Y83-P85 VanDerWaalsContact O-N 3.17Å; P85-M87 HydrophobicContact CB-CB 4.15Å; P85-M87 PolarHBondContact O-N 2.8Å; P85-M87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | R | 53.9 | Low | 59.5 | Low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | trans | -68.7 | 14 | 152.1 | -62.3 | -176.8 | 178.3 | -179.8 | -0.1 | 110.3 | N84 Y88 | N84-R86 PolarHBondContact O-N 3.43Å; R86-Y88 PolarHBondContact O-N 3.15Å | ||
| 87 | M | 55.6 | Low | 59.4 | Low | 139 Ų | 139 | 135.3 Ų | 135.3 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.4 | 118.6 | 166.1 | -63 | -176.4 | 76.7 | 0 | 0 | 105.4 | P85 D89 | P85-M87 HydrophobicContact CB-CB 4.15Å; P85-M87 PolarHBondContact O-N 2.8Å; P85-M87 VanDerWaalsContact O-N 3.12Å; M87-D89 PolarHBondContact O-N 3.14Å; M87-D89 VanDerWaalsContact O-N 3.1Å |
| 88 | Y | 57.8 | Low | 59.7 | Low | 123 Ų | 123 | 137 Ų | 137 | 48% | 0.482 | 68% | 0.676 | S | S | . | * | trans | -60.1 | 109.5 | 175.4 | 175.7 | -106.8 | 0 | 0 | 0 | 108.9 | R86 G90 G91 L93 R95 | R86-Y88 PolarHBondContact O-N 3.15Å; Y88-G90 WeakPolarHBondContact CD1-O 3.35Å; Y88-G90 WeakPolarHBondContact CE1-O 3.33Å; Y88-G90 PolarHBondContact O-N 3.47Å; Y88-G91 WeakPolarHBondContact CE1-O 3.36Å; Y88-L93 PolarHBondContact OH-O 3.43Å; Y88-R95 WeakPolarHBondContact OH-CA 3.31Å; Y88-R95 WeakPolarHBondContact OH-CB 3.37Å; Y88-R95 WeakPolarHBondContact OH-CD 3.27Å; Y88-R95 WeakPolarHBondContact OH-CG 3.32Å; Y88-R95 PolarHBondContact OH-N 3.29Å | ||
| 89 | D | 64 | Low | 59.9 | Low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | trans | -75.2 | -4.3 | 176.4 | -63.6 | -18.3 | 0 | 0 | 0 | 112.6 | M87 | M87-D89 PolarHBondContact O-N 3.14Å; M87-D89 VanDerWaalsContact O-N 3.1Å | ||
| 90 | G | 59.8 | Low | 60.4 | Low | 16 Ų | 16 | 132.8 Ų | 132.8 | 17% | 0.165 | 65% | 0.651 | C | S | . | * | S | Bend | trans | -68.8 | 139.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y88 | Y88-G90 WeakPolarHBondContact CD1-O 3.35Å; Y88-G90 WeakPolarHBondContact CE1-O 3.33Å; Y88-G90 PolarHBondContact O-N 3.47Å |
| 91 | G | 67.4 | Low | 61.1 | Low | 46 Ų | 46 | 136.2 Ų | 136.2 | 47% | 0.474 | 66% | 0.662 | S | S | . | * | trans | -55.6 | -176.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y88 L93 | Y88-G91 WeakPolarHBondContact CE1-O 3.36Å; G91-L93 PolarHBondContact O-N 3.39Å | ||
| 92 | L | 71.7 | Confident | 61.9 | Low | 189 Ų | 189 | 135.7 Ų | 135.7 | 99% | 0.99 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -53.6 | -13 | -171.8 | -64.1 | 167.3 | 0 | 0 | 0 | 117 | ||
| 93 | L | 69.3 | Low | 62.9 | Low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -96.1 | 136.1 | -179.1 | -70.3 | 166.4 | 0 | 0 | 0 | 111.6 | Y88 G91 R95 | Y88-L93 PolarHBondContact OH-O 3.43Å; G91-L93 PolarHBondContact O-N 3.39Å; L93-R95 PolarHBondContact O-N 2.82Å; L93-R95 VanDerWaalsContact O-N 3.1Å |
| 94 | P | 65.9 | Low | 64.4 | Low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 64% | 0.64 | S | S | * | * | trans | -65.5 | 110.5 | 177.4 | 26 | -32.5 | 0 | 0 | 0 | 111.2 | ||||
| 95 | R | 63.1 | Low | 66 | Low | 106 Ų | 106 | 127.6 Ų | 127.6 | 40% | 0.4 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -87.4 | 145 | 167.8 | -56.9 | 169.7 | -177.8 | -156.4 | -2.6 | 109.7 | Y88 L93 D100 | Y88-R95 WeakPolarHBondContact OH-CA 3.31Å; Y88-R95 WeakPolarHBondContact OH-CB 3.37Å; Y88-R95 WeakPolarHBondContact OH-CD 3.27Å; Y88-R95 WeakPolarHBondContact OH-CG 3.32Å; Y88-R95 PolarHBondContact OH-N 3.29Å; L93-R95 PolarHBondContact O-N 2.82Å; L93-R95 VanDerWaalsContact O-N 3.1Å; R95-D100 IonicContact NH1-OD1 2.8Å; R95-D100 PolarHBondContact NH1-OD1 3.33Å |
| 96 | L | 63.3 | Low | 67.7 | Low | 122 Ų | 122 | 129.4 Ų | 129.4 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.3 | 169.1 | -77.6 | 138.9 | 0 | 0 | 0 | 109.8 | Y98 T99 V103 | L96-Y98 PolarHBondContact O-N 3.48Å; L96-Y98 VanDerWaalsContact O-N 3.14Å; L96-T99 PolarHBondContact O-N 2.9Å; L96-V103 HydrophobicContact CD1-CG2 4.17Å |
| 97 | N | 58.7 | Low | 69.6 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 123.8 | 179 | -62 | -22.9 | 0 | 0 | 0 | 109.1 | ||
| 98 | Y | 63.9 | Low | 71.5 | Confident | 228 Ų | 228 | 127 Ų | 127 | 89% | 0.894 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.8 | 18.3 | 174.9 | -33.7 | -71.8 | 0 | 0 | 0 | 117.9 | L96 | L96-Y98 PolarHBondContact O-N 3.48Å; L96-Y98 VanDerWaalsContact O-N 3.14Å |
| 99 | T | 64.3 | Low | 73.2 | Confident | 69 Ų | 69 | 129 Ų | 129 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | trans | -142.8 | 125.9 | 170.7 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | L96 K101 | L96-T99 PolarHBondContact O-N 2.9Å; T99-K101 HydrophobicContact CG2-CB 3.85Å; T99-K101 HydrophobicContact CG2-CD 3.82Å; T99-K101 HydrophobicContact CG2-CG 3.67Å; T99-K101 PolarHBondContact O-N 2.96Å; T99-K101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | D | 68.2 | Low | 74.6 | Confident | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | -74.6 | 7.5 | 177 | -74.5 | -40.6 | 0 | 0 | 0 | 114.7 | R95 | R95-D100 IonicContact NH1-OD1 2.8Å; R95-D100 PolarHBondContact NH1-OD1 3.33Å | ||
| 101 | K | 70.4 | Confident | 76.3 | Confident | 159 Ų | 159 | 134 Ų | 134 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | trans | -76.5 | 132.1 | 179.2 | -69.1 | 177.6 | -175.9 | 180 | 0 | 109.3 | T99 | T99-K101 HydrophobicContact CG2-CB 3.85Å; T99-K101 HydrophobicContact CG2-CD 3.82Å; T99-K101 HydrophobicContact CG2-CG 3.67Å; T99-K101 PolarHBondContact O-N 2.96Å; T99-K101 VanDerWaalsContact O-N 3.15Å | ||
| 102 | Q | 71.5 | Confident | 77.6 | Confident | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -56.3 | 143.8 | 171.2 | 58.2 | 172.5 | 21.9 | 0 | 0 | 110.8 | V104 | Q102-V104 HydrophobicContact CG-CG2 3.58Å; Q102-V104 VanDerWaalsContact NE2-CG2 3.33Å; Q102-V104 PolarHBondContact O-N 3.42Å | ||
| 103 | V | 73.8 | Confident | 78.8 | Confident | 104 Ų | 104 | 134 Ų | 134 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | trans | -72.7 | 97.5 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | L96 | L96-V103 HydrophobicContact CD1-CG2 4.17Š| ||
| 104 | V | 82.5 | Confident | 80.1 | Confident | 98 Ų | 98 | 137.4 Ų | 137.4 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 124.3 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | Q102 | Q102-V104 HydrophobicContact CG-CG2 3.58Å; Q102-V104 VanDerWaalsContact NE2-CG2 3.33Å; Q102-V104 PolarHBondContact O-N 3.42Å |
| 105 | L | 85.8 | Confident | 81.6 | Confident | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.7 | 167.3 | -169.3 | 73.8 | 0 | 0 | 0 | 107.9 | E107 | L105-E107 PolarHBondContact O-N 3.32Š|
| 106 | P | 90.8 | Very high | 83.2 | Confident | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 142.4 | 178.2 | 23.9 | -32.9 | 0 | 0 | 0 | 110.2 | H108 | P106-H108 PolarHBondContact O-N 3.44Š|
| 107 | E | 93.3 | Very high | 84.8 | Confident | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 125.5 | 177 | -68.2 | 175.7 | 177.9 | 0 | 0 | 110.3 | L105 K109 | L105-E107 PolarHBondContact O-N 3.32Å; E107-K109 PolarHBondContact O-N 2.75Å; E107-K109 VanDerWaalsContact O-N 3.16Å |
| 108 | H | 94.8 | Very high | 86.6 | Confident | 166 Ų | 166 | 132.7 Ų | 132.7 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | trans | -66.7 | 113.9 | 176.2 | 174.2 | -101.2 | 0 | 0 | 0 | 109.8 | P106 P110 | P106-H108 PolarHBondContact O-N 3.44Å; H108-P110 WeakPolarHBondContact O-CD 3.2Å | ||
| 109 | K | 94.2 | Very high | 88.1 | Confident | 166 Ų | 166 | 124.1 Ų | 124.1 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | trans | -105.4 | 98 | 176.2 | -66.7 | -177.7 | -177.1 | -178.3 | 0 | 109.1 | E107 R111 | E107-K109 PolarHBondContact O-N 2.75Å; E107-K109 VanDerWaalsContact O-N 3.16Å; K109-R111 PolarHBondContact O-N 3.37Å | ||
| 110 | P | 93.9 | Very high | 89.7 | Confident | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | trans | -60.3 | 131.8 | 177.8 | 24.6 | -31.8 | 0 | 0 | 0 | 109.5 | H108 | H108-P110 WeakPolarHBondContact O-CD 3.2Š| ||
| 111 | R | 94.9 | Very high | 91 | Very high | 159 Ų | 159 | 127.7 Ų | 127.7 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | trans | -101.4 | 114.4 | -178.7 | -167.4 | -179.1 | -171.1 | -133.3 | -5.5 | 108.5 | K109 F113 R118 | K109-R111 PolarHBondContact O-N 3.37Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F113 PolarHBondContact O-N 2.86Å; R111-R118 VanDerWaalsContact CZ-NH2 3.29Å; R111-R118 VanDerWaalsContact NE-CZ 3.32Å; R111-R118 VanDerWaalsContact NE-NH1 3.19Å; R111-R118 VanDerWaalsContact NH2-CZ 3.29Å | ||
| 112 | D | 96.2 | Very high | 92.1 | Very high | 96 Ų | 96 | 121.6 Ų | 121.6 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | trans | -67.9 | 121.6 | 171.4 | -177.7 | 11.4 | 0 | 0 | 0 | 109.8 | W114 S115 R118 | D112-W114 PolarHBondContact OD1-N 3.18Å; D112-S115 PolarHBondContact OD1-N 3.49Å; D112-S115 WeakPolarHBondContact OD2-CA 2.97Å; D112-S115 PolarHBondContact OD2-N 3.49Å; D112-R118 PolarHBondContact O-NH1 3.48Å | ||
| 113 | F | 95.9 | Very high | 93.1 | Very high | 140 Ų | 140 | 119.6 Ų | 119.6 | 61% | 0.614 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -87.8 | -19.2 | 178.5 | -69.4 | -76.3 | 0 | 0 | 0 | 112.5 | R111 | R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F113 PolarHBondContact O-N 2.86Å |
| 114 | W | 96.4 | Very high | 94.1 | Very high | 211 Ų | 211 | 118.9 Ų | 118.9 | 80% | 0.799 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -108.2 | 18.1 | -176.6 | -67.8 | 106.1 | 0 | 0 | 0 | 113 | D112 A119 | D112-W114 PolarHBondContact OD1-N 3.18Å; W114-A119 HydrophobicContact CE3-CB 4.36Å |
| 115 | S | 96.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 117.7 Ų | 117.7 | 22% | 0.217 | 58% | 0.582 | C | S | . | * | trans | -58.3 | 142.6 | 174 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | D112 H117 R118 A119 | D112-S115 PolarHBondContact OD1-N 3.49Å; D112-S115 WeakPolarHBondContact OD2-CA 2.97Å; D112-S115 PolarHBondContact OD2-N 3.49Å; S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.42Å; S115-H117 VanDerWaalsContact O-N 3.09Å; S115-R118 WeakPolarHBondContact O-CA 3.39Å; S115-R118 PolarHBondContact O-N 2.82Å; S115-A119 PolarHBondContact O-N 3.25Å | ||
| 116 | P | 97.6 | Very high | 95 | Very high | 95 Ų | 95 | 117.9 Ų | 117.9 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -52.9 | -41.4 | -169.7 | -30.8 | 35.2 | 0 | 0 | 0 | 114.2 | R118 A119 H120 | P116-R118 PolarHBondContact O-N 3.47Å; P116-A119 PolarHBondContact O-N 2.89Å; P116-H120 WeakPolarHBondContact O-CB 3.49Å; P116-H120 PolarHBondContact O-CD2 3.37Å; P116-H120 PolarHBondContact O-N 3.25Å |
| 117 | H | 96 | Very high | 95.2 | Very high | 155 Ų | 155 | 115 Ų | 115 | 72% | 0.718 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -28.5 | 178.6 | -179.2 | 61 | 0 | 0 | 0 | 113.6 | S115 F121 | S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.42Å; S115-H117 VanDerWaalsContact O-N 3.09Å; H117-F121 PolarHBondContact O-N 2.92Å |
| 118 | R | 96.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 110.5 Ų | 110.5 | 33% | 0.328 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -86.3 | -41.4 | 174.7 | -67.5 | -170.8 | -174.6 | 162.6 | 21.8 | 112.5 | R111 D112 S115 P116 H120 F121 | R111-R118 VanDerWaalsContact CZ-NH2 3.29Å; R111-R118 VanDerWaalsContact NE-CZ 3.32Å; R111-R118 VanDerWaalsContact NE-NH1 3.19Å; R111-R118 VanDerWaalsContact NH2-CZ 3.29Å; D112-R118 PolarHBondContact O-NH1 3.48Å; S115-R118 WeakPolarHBondContact O-CA 3.39Å; S115-R118 PolarHBondContact O-N 2.82Å; P116-R118 PolarHBondContact O-N 3.47Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.38Å; R118-F121 WeakPolarHBondContact O-CB 3.45Å; R118-F121 PolarHBondContact O-N 2.85Å |
| 119 | A | 97.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 108.2 Ų | 108.2 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W114 S115 P116 | W114-A119 HydrophobicContact CE3-CB 4.36Å; S115-A119 PolarHBondContact O-N 3.25Å; P116-A119 PolarHBondContact O-N 2.89Å |
| 120 | H | 96.2 | Very high | 95.3 | Very high | 115 Ų | 115 | 107.5 Ų | 107.5 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.5 | 177.6 | -62.8 | -65.3 | 0 | 0 | 0 | 114.1 | P116 R118 G122 Q123 | P116-H120 WeakPolarHBondContact O-CB 3.49Å; P116-H120 PolarHBondContact O-CD2 3.37Å; P116-H120 PolarHBondContact O-N 3.25Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.38Å; H120-G122 PolarHBondContact O-N 3.35Å; H120-Q123 PolarHBondContact ND1-OE1 3.26Å; H120-Q123 VanDerWaalsContact O-CB 3.24Å; H120-Q123 WeakPolarHBondContact O-CB 3.35Å; H120-Q123 PolarHBondContact O-N 3.35Å |
| 121 | F | 96 | Very high | 95.2 | Very high | 162 Ų | 162 | 104.3 Ų | 104.3 | 71% | 0.711 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 132.7 | -179.2 | -177.3 | -95.6 | 0 | 0 | 0 | 111 | H117 R118 Q123 | H117-F121 PolarHBondContact O-N 2.92Å; R118-F121 WeakPolarHBondContact O-CB 3.45Å; R118-F121 PolarHBondContact O-N 2.85Å; F121-Q123 PolarHBondContact O-N 3.11Å |
| 122 | G | 93.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 103 Ų | 103 | 31% | 0.309 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 0.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H120 N124 D125 | H120-G122 PolarHBondContact O-N 3.35Å; G122-N124 PolarHBondContact O-N 3.35Å; G122-D125 WeakPolarHBondContact CA-OD2 3.29Å; G122-D125 PolarHBondContact O-N 3.09Å |
| 123 | Q | 94.1 | Very high | 95 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 127.7 | 170.5 | -169.6 | 171.1 | -8.1 | 0 | 0 | 109.1 | H120 F121 | H120-Q123 PolarHBondContact ND1-OE1 3.26Å; H120-Q123 VanDerWaalsContact O-CB 3.24Å; H120-Q123 WeakPolarHBondContact O-CB 3.35Å; H120-Q123 PolarHBondContact O-N 3.35Å; F121-Q123 PolarHBondContact O-N 3.11Å |
| 124 | N | 93.6 | Very high | 94.9 | Very high | 89 Ų | 89 | 101.7 Ų | 101.7 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 13.1 | -177.8 | -46.9 | -34 | 0 | 0 | 0 | 117 | G122 Y126 I127 | G122-N124 PolarHBondContact O-N 3.35Å; N124-Y126 PolarHBondContact O-N 2.89Å; N124-I127 HydrophobicContact CB-CB 4.42Å; N124-I127 HydrophobicContact CB-CD1 4.47Å; N124-I127 WeakPolarHBondContact O-CB 3.43Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 3.18Å |
| 125 | D | 93.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 95.5 Ų | 95.5 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.9 | 176.4 | -79.8 | -6.7 | 0 | 0 | 0 | 113.8 | G122 P137 | G122-D125 WeakPolarHBondContact CA-OD2 3.29Å; G122-D125 PolarHBondContact O-N 3.09Å; D125-P137 VanDerWaalsContact O-CG 3.26Å; D125-P137 WeakPolarHBondContact O-CG 3.26Å |
| 126 | Y | 94.6 | Very high | 94.6 | Very high | 158 Ų | 158 | 100.3 Ų | 100.3 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 23.5 | -177.9 | -60.9 | -64.9 | 0 | 0 | 0 | 113.3 | N124 D128 I129 L130 | N124-Y126 PolarHBondContact O-N 2.89Å; Y126-D128 PolarHBondContact O-N 2.93Å; Y126-I129 HydrophobicContact CD1-CD1 3.77Å; Y126-I129 HydrophobicContact CD1-CG1 4.3Å; Y126-I129 HydrophobicContact CG-CD1 4.15Å; Y126-I129 HydrophobicContact CG-CG1 4.46Å; Y126-I129 VanDerWaalsContact O-CG1 3.31Å; Y126-I129 WeakPolarHBondContact O-CG1 3.13Å; Y126-I129 PolarHBondContact O-N 3.46Å; Y126-L130 PolarHBondContact O-N 3.09Å |
| 127 | I | 94.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 97 Ų | 97 | 23% | 0.231 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62.8 | -24.3 | -177.7 | -167.4 | 164.1 | 0 | 0 | 0 | 113.3 | N124 G131 F140 | N124-I127 HydrophobicContact CB-CB 4.42Å; N124-I127 HydrophobicContact CB-CD1 4.47Å; N124-I127 WeakPolarHBondContact O-CB 3.43Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 3.18Å; I127-G131 VanDerWaalsContact O-CA 3.27Å; I127-G131 WeakPolarHBondContact O-CA 3.24Å; I127-G131 PolarHBondContact O-N 3.28Å; I127-F140 HydrophobicContact CD1-CE2 4.19Å; I127-F140 HydrophobicContact CD1-CZ 4.05Å; I127-F140 HydrophobicContact CG2-CE2 3.95Å |
| 128 | D | 94.2 | Very high | 94 | Very high | 69 Ų | 69 | 96.1 Ų | 96.1 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 176.8 | 59 | -19.4 | 0 | 0 | 0 | 113 | Y126 | Y126-D128 PolarHBondContact O-N 2.93Å |
| 129 | I | 95 | Very high | 93.8 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -92.5 | -26.1 | -179.3 | 59.4 | 166.6 | 0 | 0 | 0 | 113.6 | Y126 | Y126-I129 HydrophobicContact CD1-CD1 3.77Å; Y126-I129 HydrophobicContact CD1-CG1 4.3Å; Y126-I129 HydrophobicContact CG-CD1 4.15Å; Y126-I129 HydrophobicContact CG-CG1 4.46Å; Y126-I129 VanDerWaalsContact O-CG1 3.31Å; Y126-I129 WeakPolarHBondContact O-CG1 3.13Å; Y126-I129 PolarHBondContact O-N 3.46Å |
| 130 | L | 94.5 | Very high | 93.5 | Very high | 150 Ų | 150 | 99.6 Ų | 99.6 | 79% | 0.785 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -102.5 | -8.3 | -179.8 | -59.8 | -177.1 | 0 | 0 | 0 | 113.6 | Y126 | Y126-L130 PolarHBondContact O-N 3.09Å |
| 131 | G | 91.5 | Very high | 93.3 | Very high | 41 Ų | 41 | 100.6 Ų | 100.6 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -113.5 | -159.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | I127 G133 | I127-G131 VanDerWaalsContact O-CA 3.27Å; I127-G131 WeakPolarHBondContact O-CA 3.24Å; I127-G131 PolarHBondContact O-N 3.28Å; G131-G133 PolarHBondContact O-N 3.43Å; G131-G133 VanDerWaalsContact O-N 3.16Å |
| 132 | D | 93.9 | Very high | 93.1 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | trans | -68.9 | -6.3 | 179.7 | -71.8 | 6.3 | 0 | 0 | 0 | 114.4 | K134 | D132-K134 HydrophobicContact CB-CB 4.46Å; D132-K134 HydrophobicContact CB-CD 4.01Å; D132-K134 HydrophobicContact CB-CG 3.98Å; D132-K134 PolarHBondContact O-N 3.07Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 IonicContact OD2-NZ 2.67Å; D132-K134 PolarHBondContact OD2-NZ 2.86Å | ||
| 133 | G | 92.4 | Very high | 93 | Very high | 40 Ų | 40 | 100.3 Ų | 100.3 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | S | Bend | trans | 69.1 | -0.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G131 | G131-G133 PolarHBondContact O-N 3.43Å; G131-G133 VanDerWaalsContact O-N 3.16Å |
| 134 | K | 94.6 | Very high | 93 | Very high | 168 Ų | 168 | 97.7 Ų | 97.7 | 73% | 0.73 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -68.8 | -34.6 | -179.8 | -67.6 | 172.4 | -172.2 | 149.8 | 0 | 113.2 | D132 | D132-K134 HydrophobicContact CB-CB 4.46Å; D132-K134 HydrophobicContact CB-CD 4.01Å; D132-K134 HydrophobicContact CB-CG 3.98Å; D132-K134 PolarHBondContact O-N 3.07Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 IonicContact OD2-NZ 2.67Å; D132-K134 PolarHBondContact OD2-NZ 2.86Å |
| 135 | I | 93.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -111.3 | 134.5 | -177 | -51.9 | 168.4 | 0 | 0 | 0 | 107.7 | D139 F140 | I135-D139 HydrophobicContact CG2-CB 4.06Å; I135-F140 HydrophobicContact CB-CE2 4.49Å; I135-F140 HydrophobicContact CG2-CD2 4.3Å; I135-F140 HydrophobicContact CG2-CE2 3.4Å; I135-F140 VanDerWaalsContact CG2-CE2 3.4Å; I135-F140 HydrophobicContact CG2-CZ 3.72Å |
| 136 | K | 92.1 | Very high | 92.6 | Very high | 133 Ų | 133 | 97.3 Ų | 97.3 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | trans | -102.2 | 152.8 | 177.5 | -65.9 | -178.1 | -179.4 | 177.5 | 0 | 110.1 | R138 D139 | K136-R138 PolarHBondContact O-N 2.94Å; K136-D139 PolarHBondContact N-OD2 3.2Å; K136-D139 WeakPolarHBondContact O-CB 3.36Å; K136-D139 PolarHBondContact O-N 3.44Å | ||
| 137 | P | 92.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 92.2 Ų | 92.2 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -53.2 | -30.3 | 176.7 | -29.1 | 35.5 | 0 | 0 | 0 | 113.6 | D125 D139 F140 | D125-P137 VanDerWaalsContact O-CG 3.26Å; D125-P137 WeakPolarHBondContact O-CG 3.26Å; P137-D139 PolarHBondContact O-N 2.9Å; P137-F140 PolarHBondContact O-N 2.67Å |
| 138 | R | 90.6 | Very high | 92.3 | Very high | 137 Ų | 137 | 92.2 Ų | 92.2 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.7 | 178.4 | -161.1 | 177.6 | -166.6 | -167.7 | 1.3 | 113.8 | K136 F140 Y141 L148 | K136-R138 PolarHBondContact O-N 2.94Å; R138-F140 PolarHBondContact O-N 2.8Å; R138-Y141 HydrophobicContact CG-CD2 4.27Å; R138-Y141 PolarHBondContact O-N 2.77Å; R138-L148 VanDerWaalsContact NH2-C 3.32Å; R138-L148 PolarHBondContact NH2-O 3.05Å |
| 139 | D | 91.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 92.1 Ų | 92.1 | 57% | 0.572 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -72.1 | -21.2 | -176.5 | -56.8 | -30.4 | 0 | 0 | 0 | 111.7 | I135 K136 P137 | I135-D139 HydrophobicContact CG2-CB 4.06Å; K136-D139 PolarHBondContact N-OD2 3.2Å; K136-D139 WeakPolarHBondContact O-CB 3.36Å; K136-D139 PolarHBondContact O-N 3.44Å; P137-D139 PolarHBondContact O-N 2.9Å |
| 140 | F | 91.3 | Very high | 91.7 | Very high | 102 Ų | 102 | 87.7 Ų | 87.7 | 45% | 0.447 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -87.3 | -15.2 | 177.3 | -64.5 | -78.8 | 0 | 0 | 0 | 113.9 | I127 I135 P137 R138 T142 | I127-F140 HydrophobicContact CD1-CE2 4.19Å; I127-F140 HydrophobicContact CD1-CZ 4.05Å; I127-F140 HydrophobicContact CG2-CE2 3.95Å; I135-F140 HydrophobicContact CB-CE2 4.49Å; I135-F140 HydrophobicContact CG2-CD2 4.3Å; I135-F140 HydrophobicContact CG2-CE2 3.4Å; I135-F140 VanDerWaalsContact CG2-CE2 3.4Å; I135-F140 HydrophobicContact CG2-CZ 3.72Å; P137-F140 PolarHBondContact O-N 2.67Å; R138-F140 PolarHBondContact O-N 2.8Å; F140-T142 PolarHBondContact O-N 3.2Å |
| 141 | Y | 91.4 | Very high | 91.5 | Very high | 135 Ų | 135 | 91.6 Ų | 91.6 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | trans | -70.6 | 122.5 | -176.2 | -66.1 | -27.4 | 0 | 0 | 0 | 112 | R138 | R138-Y141 HydrophobicContact CG-CD2 4.27Å; R138-Y141 PolarHBondContact O-N 2.77Å | ||
| 142 | T | 92.2 | Very high | 91.6 | Very high | 145 Ų | 145 | 92.2 Ų | 92.2 | 89% | 0.89 | 49% | 0.485 | S | S | * | . | trans | -90.7 | 127.3 | 175.2 | -34.6 | 0 | 0 | 0 | 0 | 109.9 | F140 | F140-T142 PolarHBondContact O-N 3.2Š| ||
| 143 | G | 92 | Very high | 91.7 | Very high | 42 Ų | 42 | 90 Ų | 90 | 43% | 0.433 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 162.1 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 144 | P | 92.7 | Very high | 91.9 | Very high | 62 Ų | 62 | 90.7 Ų | 90.7 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | trans | -63.3 | 131.5 | 178 | -18.8 | 30.7 | 0 | 0 | 0 | 110.7 | W146 V147 | P144-W146 HydrophobicContact CB-CD2 4.19Å; P144-W146 HydrophobicContact CB-CG 4.46Å; P144-W146 HydrophobicContact CB-CZ2 3.73Å; P144-W146 HydrophobicContact CG-CZ2 4.11Å; P144-W146 PolarHBondContact O-N 3.06Å; P144-W146 VanDerWaalsContact O-N 3.15Å; P144-V147 HydrophobicContact CB-CG2 4.03Å; P144-V147 HydrophobicContact CG-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CB 3.48Å; P144-V147 PolarHBondContact O-N 3.36Å | ||
| 145 | P | 88.6 | Confident | 92 | Very high | 93 Ų | 93 | 86.6 Ų | 86.6 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.6 | -171.2 | 21.4 | -32.4 | 0 | 0 | 0 | 113.2 | V147 L148 | P145-V147 PolarHBondContact O-N 2.93Å; P145-L148 PolarHBondContact O-N 3.38Å |
| 146 | W | 90.7 | Very high | 92.1 | Very high | 62 Ų | 62 | 86.9 Ų | 86.9 | 24% | 0.235 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -9.9 | 176.7 | 54 | -93.2 | 0 | 0 | 0 | 114 | P144 T150 S159 R160 I166 | P144-W146 HydrophobicContact CB-CD2 4.19Å; P144-W146 HydrophobicContact CB-CG 4.46Å; P144-W146 HydrophobicContact CB-CZ2 3.73Å; P144-W146 HydrophobicContact CG-CZ2 4.11Å; P144-W146 PolarHBondContact O-N 3.06Å; P144-W146 VanDerWaalsContact O-N 3.15Å; W146-T150 VanDerWaalsContact O-CG2 3.31Å; W146-T150 WeakPolarHBondContact O-CG2 3.46Å; W146-S159 VanDerWaalsContact O-CB 3.32Å; W146-S159 WeakPolarHBondContact O-CB 3.44Å; W146-R160 HydrophobicContact CB-CB 4.41Å; W146-R160 HydrophobicContact CD2-CB 4.4Å; W146-R160 HydrophobicContact CD2-CG 4.45Å; W146-R160 HydrophobicContact CG-CB 4.34Å; W146-R160 HydrophobicContact CG-CG 4.45Å; W146-I166 HydrophobicContact CB-CD1 4.44Å; W146-I166 HydrophobicContact CG-CD1 4.05Å |
| 147 | V | 92.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 80.7 Ų | 80.7 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -36.1 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | P144 P145 G149 T150 | P144-V147 HydrophobicContact CB-CG2 4.03Å; P144-V147 HydrophobicContact CG-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CB 3.48Å; P144-V147 PolarHBondContact O-N 3.36Å; P145-V147 PolarHBondContact O-N 2.93Å; V147-G149 PolarHBondContact O-N 3.27Å; V147-G149 VanDerWaalsContact O-N 3.16Å; V147-T150 PolarHBondContact O-N 3.32Å; V147-T150 PolarHBondContact O-OG1 3.48Å |
| 148 | L | 90.8 | Very high | 92.5 | Very high | 46 Ų | 46 | 80.3 Ų | 80.3 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 122.4 | -171.9 | -62.3 | 178.7 | 0 | 0 | 0 | 109.9 | R138 P145 T150 | R138-L148 VanDerWaalsContact NH2-C 3.32Å; R138-L148 PolarHBondContact NH2-O 3.05Å; P145-L148 PolarHBondContact O-N 3.38Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.48Å |
| 149 | G | 84.8 | Confident | 92.8 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 8.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V147 | V147-G149 PolarHBondContact O-N 3.27Å; V147-G149 VanDerWaalsContact O-N 3.16Å |
| 150 | T | 92.4 | Very high | 93 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 15% | 0.153 | 38% | 0.38 | C | S | . | . | trans | -87.7 | 132.3 | 170.8 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | W146 V147 L148 Q155 R156 S159 | W146-T150 VanDerWaalsContact O-CG2 3.31Å; W146-T150 WeakPolarHBondContact O-CG2 3.46Å; V147-T150 PolarHBondContact O-N 3.32Å; V147-T150 PolarHBondContact O-OG1 3.48Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.48Å; T150-Q155 HydrophobicContact CG2-CB 4.28Å; T150-R156 HydrophobicContact CG2-CG 4.25Å; T150-R156 WeakPolarHBondContact OG1-CG 3.38Å; T150-S159 WeakPolarHBondContact CG2-OG 3.27Å | ||
| 151 | R | 90.5 | Very high | 93.3 | Very high | 231 Ų | 231 | 68.6 Ų | 68.6 | 87% | 0.872 | 36% | 0.364 | S | S | * | . | trans | -93.4 | -41.5 | -178.3 | -174.5 | 177 | 173.4 | -174.1 | -0.4 | 112.3 | ||||
| 152 | N | 93.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -116.3 | 166.3 | -175.7 | 68.5 | 25.2 | 0 | 0 | 0 | 112.3 | Y154 Q155 R156 | N152-Y154 VanDerWaalsContact C-N 3.31Å; N152-Y154 PolarHBondContact O-N 3.01Å; N152-Y154 PolarHBondContact OD1-N 3.39Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.48Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.44Å; N152-Q155 PolarHBondContact OD1-N 3.42Å; N152-R156 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-N 3.15Å |
| 153 | E | 95.7 | Very high | 93.6 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 179.6 | -169.7 | -171.2 | 169.6 | 0 | 0 | 112.4 | Q155 R156 V157 L188 | E153-Q155 PolarHBondContact O-N 2.91Å; E153-R156 WeakPolarHBondContact O-CB 3.32Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-R156 VanDerWaalsContact O-N 3.14Å; E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.48Å; E153-L188 HydrophobicContact CB-CD1 4.25Å; E153-L188 HydrophobicContact CG-CD1 3.82Å |
| 154 | Y | 96.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 178.8 | 177.2 | -112.5 | 0 | 0 | 0 | 112.1 | N152 R156 V157 C158 Q185 L188 F189 | N152-Y154 VanDerWaalsContact C-N 3.31Å; N152-Y154 PolarHBondContact O-N 3.01Å; N152-Y154 PolarHBondContact OD1-N 3.39Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.49Å; Y154-V157 PolarHBondContact O-N 3.13Å; Y154-C158 VanDerWaalsContact CE2-SG 3.59Å; Y154-C158 WeakPolarHBondContact O-CB 3.31Å; Y154-C158 PolarHBondContact O-N 3.15Å; Y154-C158 PolarHBondContact O-SG 2.86Å; Y154-Q185 HydrophobicContact CE2-CG 4.09Å; Y154-L188 HydrophobicContact CD2-CB 3.67Å; Y154-L188 HydrophobicContact CG-CB 4.31Å; Y154-F189 HydrophobicContact CE2-CB 3.85Å; Y154-F189 HydrophobicContact CE2-CD2 4.42Å; Y154-F189 AromaticContact CZ-CD2 3.98Å; Y154-F189 WeakPolarHBondContact OH-CD2 3.48Å |
| 155 | Q | 96.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.3 | -74.8 | 167.5 | -10.3 | 0 | 0 | 111.6 | T150 N152 E153 S159 | T150-Q155 HydrophobicContact CG2-CB 4.28Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.48Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.44Å; N152-Q155 PolarHBondContact OD1-N 3.42Å; E153-Q155 PolarHBondContact O-N 2.91Å; Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.43Å; Q155-S159 PolarHBondContact O-N 3.41Å; Q155-S159 PolarHBondContact O-OG 3.37Å |
| 156 | R | 96.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 173.7 | -76.4 | -172.2 | -65.7 | -101.9 | 8.2 | 111.9 | T150 N152 E153 Y154 S159 R160 | T150-R156 HydrophobicContact CG2-CG 4.25Å; T150-R156 WeakPolarHBondContact OG1-CG 3.38Å; N152-R156 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-N 3.15Å; E153-R156 WeakPolarHBondContact O-CB 3.32Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-R156 VanDerWaalsContact O-N 3.14Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.49Å; R156-S159 PolarHBondContact O-N 3.24Å; R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 3.01Å |
| 157 | V | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -46 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | E153 Y154 S159 R160 L161 L184 Q185 L188 | E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.48Å; Y154-V157 PolarHBondContact O-N 3.13Å; V157-S159 PolarHBondContact O-N 3.28Å; V157-R160 PolarHBondContact O-N 3.05Å; V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.26Å; V157-L161 PolarHBondContact O-N 3.01Å; V157-L184 HydrophobicContact CG2-CD2 3.66Å; V157-L184 HydrophobicContact CG2-CG 4.14Å; V157-Q185 HydrophobicContact CG1-CB 3.78Å; V157-Q185 HydrophobicContact CG1-CG 4.3Å; V157-L188 HydrophobicContact CG2-CD1 4.02Å |
| 158 | C | 96.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.5 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | Y154 R160 L161 N162 Q185 | Y154-C158 VanDerWaalsContact CE2-SG 3.59Å; Y154-C158 WeakPolarHBondContact O-CB 3.31Å; Y154-C158 PolarHBondContact O-N 3.15Å; Y154-C158 PolarHBondContact O-SG 2.86Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 3.27Å; C158-L161 PolarHBondContact O-N 3.29Å; C158-N162 WeakPolarHBondContact O-CB 3.38Å; C158-N162 PolarHBondContact O-N 3.34Å; C158-N162 PolarHBondContact O-ND2 3Å; C158-N162 PolarHBondContact O-OD1 2.91Å; C158-Q185 PolarHBondContact SG-NE2 3.09Å |
| 159 | S | 95.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 65.5 Ų | 65.5 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | W146 T150 Q155 R156 V157 N163 | W146-S159 VanDerWaalsContact O-CB 3.32Å; W146-S159 WeakPolarHBondContact O-CB 3.44Å; T150-S159 WeakPolarHBondContact CG2-OG 3.27Å; Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.43Å; Q155-S159 PolarHBondContact O-N 3.41Å; Q155-S159 PolarHBondContact O-OG 3.37Å; R156-S159 PolarHBondContact O-N 3.24Å; V157-S159 PolarHBondContact O-N 3.28Å; S159-N163 PolarHBondContact O-N 2.83Å |
| 160 | R | 95.4 | Very high | 95.7 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.8 | -49.2 | 173.9 | -165.6 | -176.4 | -57.6 | 120.6 | 3.3 | 111.6 | W146 R156 V157 C158 N162 N163 I166 E181 | W146-R160 HydrophobicContact CB-CB 4.41Å; W146-R160 HydrophobicContact CD2-CB 4.4Å; W146-R160 HydrophobicContact CD2-CG 4.45Å; W146-R160 HydrophobicContact CG-CB 4.34Å; W146-R160 HydrophobicContact CG-CG 4.45Å; R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 3.01Å; V157-R160 PolarHBondContact O-N 3.05Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 3.27Å; R160-N162 VanDerWaalsContact C-N 3.29Å; R160-N162 PolarHBondContact O-N 2.75Å; R160-N163 PolarHBondContact O-N 3.44Å; R160-I166 HydrophobicContact CG-CD1 4.29Å; R160-I166 HydrophobicContact CG-CG2 3.71Å; R160-E181 IonicContact CZ-OE1 3.66Å; R160-E181 IonicContact NE-OE1 2.9Å; R160-E181 IonicContact NH1-OE1 3.38Å; R160-E181 PolarHBondContact NH1-OE1 3.46Å; R160-E181 IonicContact NH1-OE2 2.75Å; R160-E181 PolarHBondContact NH1-OE2 3.33Å |
| 161 | L | 96.5 | Very high | 95.9 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.9 | -23.1 | 179.2 | -70.1 | 174.3 | 0 | 0 | 0 | 113.5 | V157 C158 N163 V167 E181 Y182 Q185 | V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.26Å; V157-L161 PolarHBondContact O-N 3.01Å; C158-L161 PolarHBondContact O-N 3.29Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-V167 WeakPolarHBondContact O-CG2 3.42Å; L161-E181 HydrophobicContact CD1-CB 4.42Å; L161-E181 HydrophobicContact CD2-CB 3.93Å; L161-E181 HydrophobicContact CG-CB 4.4Å; L161-Y182 HydrophobicContact CD1-CD1 4.07Å; L161-Y182 HydrophobicContact CD1-CE1 4.26Å; L161-Y182 HydrophobicContact CD2-CD1 4.35Å; L161-Y182 HydrophobicContact CD2-CE1 4.06Å; L161-Q185 HydrophobicContact CD1-CB 3.89Å; L161-Q185 HydrophobicContact CD1-CG 4.08Å |
| 162 | N | 95.2 | Very high | 96.3 | Very high | 127 Ų | 127 | 62.3 Ų | 62.3 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.7 | 174.7 | -72.1 | -10 | 0 | 0 | 0 | 112.6 | C158 R160 P164 | C158-N162 WeakPolarHBondContact O-CB 3.38Å; C158-N162 PolarHBondContact O-N 3.34Å; C158-N162 PolarHBondContact O-ND2 3Å; C158-N162 PolarHBondContact O-OD1 2.91Å; R160-N162 VanDerWaalsContact C-N 3.29Å; R160-N162 PolarHBondContact O-N 2.75Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å |
| 163 | N | 95.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -88.1 | 109.8 | 177.4 | -174.2 | -36.4 | 0 | 0 | 0 | 109.6 | S159 R160 L161 A165 I166 V167 | S159-N163 PolarHBondContact O-N 2.83Å; R160-N163 PolarHBondContact O-N 3.44Å; L161-N163 VanDerWaalsContact C-N 3.31Å; N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 3.01Å; N163-A165 WeakPolarHBondContact OD1-CB 3.36Å; N163-A165 PolarHBondContact OD1-N 2.93Å; N163-A165 VanDerWaalsContact OD1-N 3.09Å; N163-I166 HydrophobicContact CB-CB 4.26Å; N163-I166 HydrophobicContact CB-CD1 3.84Å; N163-I166 HydrophobicContact CB-CG1 4.03Å; N163-I166 PolarHBondContact O-N 3.46Å; N163-I166 PolarHBondContact OD1-N 3.16Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å; N163-V167 PolarHBondContact O-N 3.08Å; N163-V167 VanDerWaalsContact O-N 3.07Å | ||
| 164 | P | 96.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 67% | 0.669 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.1 | -30.8 | -173.5 | 26.7 | -34.9 | 0 | 0 | 0 | 112.7 | N162 I166 V167 A168 | N162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-V167 PolarHBondContact O-N 3.4Å; P164-A168 VanDerWaalsContact O-CB 3.27Å; P164-A168 WeakPolarHBondContact O-CB 3.21Å; P164-A168 PolarHBondContact O-N 3.15Å |
| 165 | A | 95.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N163 W169 | N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 3.01Å; N163-A165 WeakPolarHBondContact OD1-CB 3.36Å; N163-A165 PolarHBondContact OD1-N 2.93Å; N163-A165 VanDerWaalsContact OD1-N 3.09Å; A165-W169 WeakPolarHBondContact O-CB 3.4Å; A165-W169 PolarHBondContact O-N 2.72Å; A165-W169 VanDerWaalsContact O-N 3.07Å |
| 166 | I | 95.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 177.5 | -58.8 | 176.7 | 0 | 0 | 0 | 110.1 | W146 R160 N163 P164 W169 M170 | W146-I166 HydrophobicContact CB-CD1 4.44Å; W146-I166 HydrophobicContact CG-CD1 4.05Å; R160-I166 HydrophobicContact CG-CD1 4.29Å; R160-I166 HydrophobicContact CG-CG2 3.71Å; N163-I166 HydrophobicContact CB-CB 4.26Å; N163-I166 HydrophobicContact CB-CD1 3.84Å; N163-I166 HydrophobicContact CB-CG1 4.03Å; N163-I166 PolarHBondContact O-N 3.46Å; N163-I166 PolarHBondContact OD1-N 3.16Å; P164-I166 VanDerWaalsContact C-N 3.35Å; I166-W169 PolarHBondContact O-N 3.07Å; I166-M170 HydrophobicContact CG2-CG 4.29Å; I166-M170 HydrophobicContact CG2-SD 3.78Å; I166-M170 WeakPolarHBondContact O-CB 3.5Å; I166-M170 WeakPolarHBondContact O-CG 3.5Å; I166-M170 PolarHBondContact O-N 3.23Å |
| 167 | V | 97 | Very high | 96.7 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | L161 N163 P164 W169 M170 E171 L178 | L161-V167 WeakPolarHBondContact O-CG2 3.42Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å; N163-V167 PolarHBondContact O-N 3.08Å; N163-V167 VanDerWaalsContact O-N 3.07Å; P164-V167 PolarHBondContact O-N 3.4Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.04Å; V167-M170 PolarHBondContact O-N 3.1Å; V167-M170 VanDerWaalsContact O-N 3.13Å; V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.39Å; V167-E171 WeakPolarHBondContact O-CG 3.29Å; V167-E171 PolarHBondContact O-N 3.31Å; V167-L178 HydrophobicContact CG1-CD1 4.11Å |
| 168 | A | 97.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P164 M170 E171 E172 | P164-A168 VanDerWaalsContact O-CB 3.27Å; P164-A168 WeakPolarHBondContact O-CB 3.21Å; P164-A168 PolarHBondContact O-N 3.15Å; A168-M170 PolarHBondContact O-N 2.8Å; A168-E171 PolarHBondContact O-N 3.14Å; A168-E172 PolarHBondContact O-N 3.47Å |
| 169 | W | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.7 | -175.6 | 89.1 | 0 | 0 | 0 | 112.2 | A165 I166 V167 E171 E172 F173 E174 | A165-W169 WeakPolarHBondContact O-CB 3.4Å; A165-W169 PolarHBondContact O-N 2.72Å; A165-W169 VanDerWaalsContact O-N 3.07Å; I166-W169 PolarHBondContact O-N 3.07Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.04Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.41Å; W169-E172 PolarHBondContact O-N 2.76Å; W169-F173 AromaticContact CD1-CD2 3.34Å; W169-F173 AromaticContact CD1-CE2 3.56Å; W169-F173 HydrophobicContact CD2-CD2 4.05Å; W169-F173 AromaticContact CE2-CD2 3.77Å; W169-F173 AromaticContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CE2 4.35Å; W169-F173 HydrophobicContact CZ2-CB 4.21Å; W169-F173 AromaticContact NE1-CD2 3.31Å; W169-F173 VanDerWaalsContact NE1-CD2 3.31Å; W169-F173 AromaticContact NE1-CE2 3.71Å; W169-F173 WeakPolarHBondContact O-CB 3.32Å; W169-F173 WeakPolarHBondContact O-CD2 3.3Å; W169-F173 PolarHBondContact O-N 3.17Å; W169-E174 HydrophobicContact CH2-CG 3.89Å; W169-E174 HydrophobicContact CZ3-CB 4.38Å; W169-E174 HydrophobicContact CZ3-CG 3.92Å; W169-E174 VanDerWaalsContact CZ3-OE2 3.3Å; W169-E174 WeakPolarHBondContact CZ3-OE2 2.88Å |
| 170 | M | 97.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 177 | -68.9 | 177.1 | 75 | 0 | 0 | 112 | I166 V167 A168 E174 P175 K177 L178 E181 | I166-M170 HydrophobicContact CG2-CG 4.29Å; I166-M170 HydrophobicContact CG2-SD 3.78Å; I166-M170 WeakPolarHBondContact O-CB 3.5Å; I166-M170 WeakPolarHBondContact O-CG 3.5Å; I166-M170 PolarHBondContact O-N 3.23Å; V167-M170 PolarHBondContact O-N 3.1Å; V167-M170 VanDerWaalsContact O-N 3.13Å; A168-M170 PolarHBondContact O-N 2.8Å; M170-E174 CarbonylContact O-C 3.6Å; M170-E174 WeakPolarHBondContact O-CA 3.45Å; M170-E174 PolarHBondContact O-N 2.8Å; M170-E174 VanDerWaalsContact O-O 3.12Å; M170-P175 WeakPolarHBondContact O-CA 3.39Å; M170-K177 HydrophobicContact CE-CB 3.89Å; M170-K177 HydrophobicContact CE-CD 3.79Å; M170-K177 HydrophobicContact CE-CG 3.53Å; M170-L178 HydrophobicContact CB-CB 4.16Å; M170-L178 HydrophobicContact CB-CD1 3.72Å; M170-E181 HydrophobicContact CE-CG 3.54Å |
| 171 | E | 97.1 | Very high | 97 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175 | -76.4 | 174.9 | 175.3 | 0 | 0 | 111.8 | V167 A168 W169 L178 | V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.39Å; V167-E171 WeakPolarHBondContact O-CG 3.29Å; V167-E171 PolarHBondContact O-N 3.31Å; A168-E171 PolarHBondContact O-N 3.14Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.41Å; E171-L178 HydrophobicContact CG-CD1 3.88Å; E171-L178 HydrophobicContact CG-CD2 3.7Å; E171-L178 HydrophobicContact CG-CG 4.41Å |
| 172 | E | 97.5 | Very high | 97.1 | Very high | 145 Ų | 145 | 73 Ų | 73 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.8 | -47.2 | -179 | -173.2 | 172.3 | -170.3 | 0 | 0 | 112.5 | A168 W169 | A168-E172 PolarHBondContact O-N 3.47Å; W169-E172 PolarHBondContact O-N 2.76Å |
| 173 | F | 98 | Very high | 97.2 | Very high | 121 Ų | 121 | 74 Ų | 74 | 53% | 0.531 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -104.4 | -31.9 | -169.2 | -60.9 | -74.7 | 0 | 0 | 0 | 114.5 | W169 | W169-F173 AromaticContact CD1-CD2 3.34Å; W169-F173 AromaticContact CD1-CE2 3.56Å; W169-F173 HydrophobicContact CD2-CD2 4.05Å; W169-F173 AromaticContact CE2-CD2 3.77Å; W169-F173 AromaticContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CE2 4.35Å; W169-F173 HydrophobicContact CZ2-CB 4.21Å; W169-F173 AromaticContact NE1-CD2 3.31Å; W169-F173 VanDerWaalsContact NE1-CD2 3.31Å; W169-F173 AromaticContact NE1-CE2 3.71Å; W169-F173 WeakPolarHBondContact O-CB 3.32Å; W169-F173 WeakPolarHBondContact O-CD2 3.3Å; W169-F173 PolarHBondContact O-N 3.17Å |
| 174 | E | 96.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 74.2 Ų | 74.2 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | trans | -136.9 | 57.5 | -171.7 | -63.5 | -170.1 | 152.7 | 0 | 0 | 113.5 | W169 M170 S176 K177 L178 | W169-E174 HydrophobicContact CH2-CG 3.89Å; W169-E174 HydrophobicContact CZ3-CB 4.38Å; W169-E174 HydrophobicContact CZ3-CG 3.92Å; W169-E174 VanDerWaalsContact CZ3-OE2 3.3Å; W169-E174 WeakPolarHBondContact CZ3-OE2 2.88Å; M170-E174 CarbonylContact O-C 3.6Å; M170-E174 WeakPolarHBondContact O-CA 3.45Å; M170-E174 PolarHBondContact O-N 2.8Å; M170-E174 VanDerWaalsContact O-O 3.12Å; E174-S176 PolarHBondContact O-N 3.15Å; E174-S176 VanDerWaalsContact O-N 3.15Å; E174-K177 HydrophobicContact CB-CB 3.98Å; E174-K177 HydrophobicContact CB-CD 4.4Å; E174-K177 WeakPolarHBondContact O-CB 3.36Å; E174-K177 PolarHBondContact O-N 2.72Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 WeakPolarHBondContact OE2-CE 3.47Å; E174-K177 IonicContact OE2-NZ 3.53Å; E174-K177 PolarHBondContact OE2-NZ 3.37Å; E174-L178 PolarHBondContact O-N 3.22Å; E174-L178 VanDerWaalsContact O-N 3.15Å | ||
| 175 | P | 97.7 | Very high | 97.5 | Very high | 75 Ų | 75 | 71.7 Ų | 71.7 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -31.2 | -172.5 | 23.3 | -34.5 | 0 | 0 | 0 | 112.7 | M170 K177 L178 T179 | M170-P175 WeakPolarHBondContact O-CA 3.39Å; P175-K177 VanDerWaalsContact C-N 3.31Å; P175-K177 PolarHBondContact O-N 2.81Å; P175-L178 WeakPolarHBondContact O-CB 3.49Å; P175-L178 PolarHBondContact O-N 2.97Å; P175-T179 WeakPolarHBondContact O-CG2 3.44Å; P175-T179 PolarHBondContact O-N 3.46Å |
| 176 | S | 98 | Very high | 97.5 | Very high | 96 Ų | 96 | 76.7 Ų | 76.7 | 67% | 0.671 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | 173.2 | -179 | 0 | 0 | 0 | 0 | 111.6 | E174 T179 A180 | E174-S176 PolarHBondContact O-N 3.15Å; E174-S176 VanDerWaalsContact O-N 3.15Å; S176-T179 PolarHBondContact O-N 3.05Å; S176-T179 PolarHBondContact O-OG1 3.12Å; S176-A180 PolarHBondContact O-N 2.78Å |
| 177 | K | 97.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 81.2 Ų | 81.2 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 179.2 | -166.8 | -178.1 | 177.3 | 173.2 | 0 | 111.4 | M170 E174 P175 T179 A180 E181 | M170-K177 HydrophobicContact CE-CB 3.89Å; M170-K177 HydrophobicContact CE-CD 3.79Å; M170-K177 HydrophobicContact CE-CG 3.53Å; E174-K177 HydrophobicContact CB-CB 3.98Å; E174-K177 HydrophobicContact CB-CD 4.4Å; E174-K177 WeakPolarHBondContact O-CB 3.36Å; E174-K177 PolarHBondContact O-N 2.72Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 WeakPolarHBondContact OE2-CE 3.47Å; E174-K177 IonicContact OE2-NZ 3.53Å; E174-K177 PolarHBondContact OE2-NZ 3.37Å; P175-K177 VanDerWaalsContact C-N 3.31Å; P175-K177 PolarHBondContact O-N 2.81Å; K177-T179 VanDerWaalsContact C-N 3.32Å; K177-T179 PolarHBondContact O-N 3.35Å; K177-A180 CarbonylContact O-C 3.57Å; K177-A180 WeakPolarHBondContact O-CA 3.43Å; K177-A180 WeakPolarHBondContact O-CB 3.38Å; K177-A180 PolarHBondContact O-N 3.1Å; K177-A180 VanDerWaalsContact O-N 3.09Å; K177-E181 WeakPolarHBondContact O-CG 3.33Å; K177-E181 PolarHBondContact O-N 3.24Å |
| 178 | L | 97.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 80.6 Ų | 80.6 | 9% | 0.094 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 171.5 | -170.4 | 98.8 | 0 | 0 | 0 | 111.5 | V167 M170 E171 E174 P175 A180 E181 Y182 | V167-L178 HydrophobicContact CG1-CD1 4.11Å; M170-L178 HydrophobicContact CB-CB 4.16Å; M170-L178 HydrophobicContact CB-CD1 3.72Å; E171-L178 HydrophobicContact CG-CD1 3.88Å; E171-L178 HydrophobicContact CG-CD2 3.7Å; E171-L178 HydrophobicContact CG-CG 4.41Å; E174-L178 PolarHBondContact O-N 3.22Å; E174-L178 VanDerWaalsContact O-N 3.15Å; P175-L178 WeakPolarHBondContact O-CB 3.49Å; P175-L178 PolarHBondContact O-N 2.97Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.01Å; L178-E181 PolarHBondContact O-N 3.43Å; L178-Y182 HydrophobicContact CD1-CE2 4.27Å; L178-Y182 HydrophobicContact CD2-CD2 4.24Å; L178-Y182 HydrophobicContact CD2-CE2 3.64Å; L178-Y182 HydrophobicContact CG-CD2 4.08Å; L178-Y182 HydrophobicContact CG-CE2 3.64Å; L178-Y182 VanDerWaalsContact O-CD2 3.26Å; L178-Y182 WeakPolarHBondContact O-CD2 3.45Å; L178-Y182 PolarHBondContact O-N 3.49Å |
| 179 | T | 97.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 83.2 Ų | 83.2 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 176.9 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | P175 S176 K177 K183 | P175-T179 WeakPolarHBondContact O-CG2 3.44Å; P175-T179 PolarHBondContact O-N 3.46Å; S176-T179 PolarHBondContact O-N 3.05Å; S176-T179 PolarHBondContact O-OG1 3.12Å; K177-T179 VanDerWaalsContact C-N 3.32Å; K177-T179 PolarHBondContact O-N 3.35Å; T179-K183 VanDerWaalsContact O-CG 3.29Å; T179-K183 WeakPolarHBondContact O-CG 3.41Å; T179-K183 PolarHBondContact O-N 3.35Å |
| 180 | A | 98.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 83.7 Ų | 83.7 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S176 K177 L178 K183 L184 | S176-A180 PolarHBondContact O-N 2.78Å; K177-A180 CarbonylContact O-C 3.57Å; K177-A180 WeakPolarHBondContact O-CA 3.43Å; K177-A180 WeakPolarHBondContact O-CB 3.38Å; K177-A180 PolarHBondContact O-N 3.1Å; K177-A180 VanDerWaalsContact O-N 3.09Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.01Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.22Å; A180-L184 WeakPolarHBondContact O-CB 3.05Å; A180-L184 PolarHBondContact O-N 3.11Å |
| 181 | E | 97.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 88.8 Ų | 88.8 | 9% | 0.089 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175 | -69.4 | -68 | 178.8 | 0 | 0 | 111.7 | R160 L161 M170 K177 L178 K183 L184 Q185 | R160-E181 IonicContact CZ-OE1 3.66Å; R160-E181 IonicContact NE-OE1 2.9Å; R160-E181 IonicContact NH1-OE1 3.38Å; R160-E181 PolarHBondContact NH1-OE1 3.46Å; R160-E181 IonicContact NH1-OE2 2.75Å; R160-E181 PolarHBondContact NH1-OE2 3.33Å; L161-E181 HydrophobicContact CD1-CB 4.42Å; L161-E181 HydrophobicContact CD2-CB 3.93Å; L161-E181 HydrophobicContact CG-CB 4.4Å; M170-E181 HydrophobicContact CE-CG 3.54Å; K177-E181 WeakPolarHBondContact O-CG 3.33Å; K177-E181 PolarHBondContact O-N 3.24Å; L178-E181 PolarHBondContact O-N 3.43Å; E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 3.47Å; E181-L184 PolarHBondContact O-N 3.38Å; E181-Q185 WeakPolarHBondContact O-CB 3.01Å; E181-Q185 PolarHBondContact O-N 2.94Å |
| 182 | Y | 98.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 87.1 Ų | 87.1 | 37% | 0.373 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.6 | -75.6 | -55.7 | 0 | 0 | 0 | 112.5 | L161 L178 L184 R186 | L161-Y182 HydrophobicContact CD1-CD1 4.07Å; L161-Y182 HydrophobicContact CD1-CE1 4.26Å; L161-Y182 HydrophobicContact CD2-CD1 4.35Å; L161-Y182 HydrophobicContact CD2-CE1 4.06Å; L178-Y182 HydrophobicContact CD1-CE2 4.27Å; L178-Y182 HydrophobicContact CD2-CD2 4.24Å; L178-Y182 HydrophobicContact CD2-CE2 3.64Å; L178-Y182 HydrophobicContact CG-CD2 4.08Å; L178-Y182 HydrophobicContact CG-CE2 3.64Å; L178-Y182 VanDerWaalsContact O-CD2 3.26Å; L178-Y182 WeakPolarHBondContact O-CD2 3.45Å; L178-Y182 PolarHBondContact O-N 3.49Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; Y182-R186 WeakPolarHBondContact O-CB 3.35Å; Y182-R186 PolarHBondContact O-N 3.09Å |
| 183 | K | 98.2 | Very high | 96 | Very high | 148 Ų | 148 | 84.6 Ų | 84.6 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 173.7 | -74 | 171.4 | -175.7 | 172.8 | 0 | 110.7 | T179 A180 E181 R186 Y187 | T179-K183 VanDerWaalsContact O-CG 3.29Å; T179-K183 WeakPolarHBondContact O-CG 3.41Å; T179-K183 PolarHBondContact O-N 3.35Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.22Å; E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 3.47Å; K183-R186 PolarHBondContact O-N 3.15Å; K183-Y187 WeakPolarHBondContact O-CB 3.02Å; K183-Y187 PolarHBondContact O-N 2.94Å |
| 184 | L | 98.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 84.8 Ų | 84.8 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 179 | -176.7 | 61.9 | 0 | 0 | 0 | 111.4 | V157 A180 E181 Y182 R186 Y187 L188 | V157-L184 HydrophobicContact CG2-CD2 3.66Å; V157-L184 HydrophobicContact CG2-CG 4.14Å; A180-L184 WeakPolarHBondContact O-CB 3.05Å; A180-L184 PolarHBondContact O-N 3.11Å; E181-L184 PolarHBondContact O-N 3.38Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.46Å; L184-Y187 HydrophobicContact CD1-CD1 4.27Å; L184-Y187 PolarHBondContact O-N 3.03Å; L184-L188 HydrophobicContact CD1-CD1 3.99Å; L184-L188 HydrophobicContact CD1-CG 3.97Å; L184-L188 HydrophobicContact CD2-CD1 4.46Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.22Å; L184-L188 WeakPolarHBondContact O-CB 3.15Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.28Å |
| 185 | Q | 97.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 93.2 Ų | 93.2 | 23% | 0.229 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -55.7 | -46.7 | 175.5 | -170.3 | -169.4 | 28.1 | 0 | 0 | 110.9 | Y154 V157 C158 L161 E181 L188 F189 | Y154-Q185 HydrophobicContact CE2-CG 4.09Å; V157-Q185 HydrophobicContact CG1-CB 3.78Å; V157-Q185 HydrophobicContact CG1-CG 4.3Å; C158-Q185 PolarHBondContact SG-NE2 3.09Å; L161-Q185 HydrophobicContact CD1-CB 3.89Å; L161-Q185 HydrophobicContact CD1-CG 4.08Å; E181-Q185 WeakPolarHBondContact O-CB 3.01Å; E181-Q185 PolarHBondContact O-N 2.94Å; Q185-L188 PolarHBondContact O-N 3.47Å; Q185-F189 VanDerWaalsContact O-CB 3.26Å; Q185-F189 WeakPolarHBondContact O-CB 3.29Å; Q185-F189 PolarHBondContact O-N 3.36Å |
| 186 | R | 97.4 | Very high | 92.4 | Very high | 174 Ų | 174 | 96.4 Ų | 96.4 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 178.8 | -169.4 | -178.1 | -63 | 178.4 | -0.3 | 112 | Y182 K183 L184 K190 | Y182-R186 WeakPolarHBondContact O-CB 3.35Å; Y182-R186 PolarHBondContact O-N 3.09Å; K183-R186 PolarHBondContact O-N 3.15Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.46Å; R186-K190 WeakPolarHBondContact O-CG 3.07Å; R186-K190 PolarHBondContact O-N 3.21Å |
| 187 | Y | 97.2 | Very high | 90.6 | Very high | 131 Ų | 131 | 95.3 Ų | 95.3 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 175.6 | 166.3 | -100.8 | 0 | 0 | 0 | 111.4 | K183 L184 F189 K190 K191 | K183-Y187 WeakPolarHBondContact O-CB 3.02Å; K183-Y187 PolarHBondContact O-N 2.94Å; L184-Y187 HydrophobicContact CD1-CD1 4.27Å; L184-Y187 PolarHBondContact O-N 3.03Å; Y187-F189 PolarHBondContact O-N 3.31Å; Y187-K190 PolarHBondContact O-N 3.1Å; Y187-K191 HydrophobicContact CE1-CD 3.83Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 3.13Å; Y187-K191 PolarHBondContact OH-NZ 3.27Å |
| 188 | L | 96.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 98.2 Ų | 98.2 | 2% | 0.021 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | -179 | -71.2 | 178.2 | 0 | 0 | 0 | 111.8 | E153 Y154 V157 L184 Q185 K190 K191 V192 | E153-L188 HydrophobicContact CB-CD1 4.25Å; E153-L188 HydrophobicContact CG-CD1 3.82Å; Y154-L188 HydrophobicContact CD2-CB 3.67Å; Y154-L188 HydrophobicContact CG-CB 4.31Å; V157-L188 HydrophobicContact CG2-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CD1 3.99Å; L184-L188 HydrophobicContact CD1-CG 3.97Å; L184-L188 HydrophobicContact CD2-CD1 4.46Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.22Å; L184-L188 WeakPolarHBondContact O-CB 3.15Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.28Å; Q185-L188 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.21Å; L188-K191 HydrophobicContact CD2-CD 4.35Å; L188-K191 PolarHBondContact O-N 3.43Å; L188-V192 WeakPolarHBondContact O-CB 3.32Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.97Å |
| 189 | F | 95.5 | Very high | 87.8 | Confident | 105 Ų | 105 | 106 Ų | 106 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.1 | -48.3 | 173.6 | 178.1 | -97.9 | 0 | 0 | 0 | 111.2 | Y154 Q185 Y187 N193 | Y154-F189 HydrophobicContact CE2-CB 3.85Å; Y154-F189 HydrophobicContact CE2-CD2 4.42Å; Y154-F189 AromaticContact CZ-CD2 3.98Å; Y154-F189 WeakPolarHBondContact OH-CD2 3.48Å; Q185-F189 VanDerWaalsContact O-CB 3.26Å; Q185-F189 WeakPolarHBondContact O-CB 3.29Å; Q185-F189 PolarHBondContact O-N 3.36Å; Y187-F189 PolarHBondContact O-N 3.31Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.13Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.13Å; F189-N193 VanDerWaalsContact O-CB 3.29Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.4Å; F189-N193 VanDerWaalsContact O-N 3.1Å; F189-N193 PolarHBondContact O-ND2 2.92Å |
| 190 | K | 92.2 | Very high | 86.2 | Confident | 129 Ų | 129 | 107.2 Ų | 107.2 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 175.1 | -68.7 | 176.5 | -178.9 | -174.8 | 0 | 111.1 | R186 Y187 L188 K194 | R186-K190 WeakPolarHBondContact O-CG 3.07Å; R186-K190 PolarHBondContact O-N 3.21Å; Y187-K190 PolarHBondContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.21Å; K190-K194 VanDerWaalsContact O-CB 3.24Å; K190-K194 WeakPolarHBondContact O-CB 2.95Å; K190-K194 WeakPolarHBondContact O-CG 3.3Å; K190-K194 PolarHBondContact O-N 3.13Å |
| 191 | K | 90.5 | Very high | 84.6 | Confident | 111 Ų | 111 | 111.4 Ų | 111.4 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | -176.2 | -176.1 | -178.2 | -175.5 | 173.4 | 0 | 113.1 | Y187 L188 | Y187-K191 HydrophobicContact CE1-CD 3.83Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 3.13Å; Y187-K191 PolarHBondContact OH-NZ 3.27Å; L188-K191 HydrophobicContact CD2-CD 4.35Å; L188-K191 PolarHBondContact O-N 3.43Å |
| 192 | V | 88.1 | Confident | 83.1 | Confident | 71 Ų | 71 | 119.6 Ų | 119.6 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.7 | -38.6 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | L188 | L188-V192 WeakPolarHBondContact O-CB 3.32Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.97Å |
| 193 | N | 87.9 | Confident | 81.4 | Confident | 92 Ų | 92 | 121.4 Ų | 121.4 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -91.4 | -11.2 | -175.9 | -63.6 | -36.1 | 0 | 0 | 0 | 114.6 | F189 R195 | F189-N193 WeakPolarHBondContact CD2-ND2 3.13Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.13Å; F189-N193 VanDerWaalsContact O-CB 3.29Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.4Å; F189-N193 VanDerWaalsContact O-N 3.1Å; F189-N193 PolarHBondContact O-ND2 2.92Å; N193-R195 PolarHBondContact O-N 3.11Å |
| 194 | K | 81.6 | Confident | 79.5 | Confident | 125 Ų | 125 | 119.5 Ų | 119.5 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -59.6 | 120.9 | 168.2 | -90.7 | 179.2 | 173.9 | -154.8 | 0 | 108.9 | K190 K196 D205 | K190-K194 VanDerWaalsContact O-CB 3.24Å; K190-K194 WeakPolarHBondContact O-CB 2.95Å; K190-K194 WeakPolarHBondContact O-CG 3.3Å; K190-K194 PolarHBondContact O-N 3.13Å; K194-K196 PolarHBondContact O-N 3.25Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K194-D205 IonicContact NZ-OD1 2.8Å; K194-D205 PolarHBondContact NZ-OD1 2.95Å |
| 195 | R | 68.2 | Low | 77.8 | Confident | 246 Ų | 246 | 123 Ų | 123 | 93% | 0.928 | 54% | 0.539 | S | S | * | . | trans | -57.3 | 120.4 | 171.3 | -76.6 | -173.2 | 178.5 | 150.5 | -0.4 | 108.6 | N193 N197 | N193-R195 PolarHBondContact O-N 3.11Å; R195-N197 PolarHBondContact O-N 3.46Å | ||
| 196 | K | 65.9 | Low | 75.7 | Confident | 142 Ų | 142 | 124.9 Ų | 124.9 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | trans | -79.7 | 106.3 | 171.6 | -58.8 | -173.6 | 176.6 | 178.5 | 0 | 106.9 | K194 I198 R204 | K194-K196 PolarHBondContact O-N 3.25Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 2.97Å; K196-R204 VanDerWaalsContact CG-NH2 3.29Å | ||
| 197 | N | 60.6 | Low | 73.7 | Confident | 73 Ų | 73 | 126 Ų | 126 | 39% | 0.39 | 59% | 0.587 | S | S | . | * | trans | -72 | 95.3 | 169 | -170.3 | -17.3 | 0 | 0 | 0 | 108.1 | R195 K199 F200 | R195-N197 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact O-N 3.43Å; N197-K199 PolarHBondContact OD1-N 3.03Å; N197-F200 CarbonylContact O-C 2.83Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 PolarHBondContact OD1-N 3.47Å | ||
| 198 | I | 66.2 | Low | 72.5 | Confident | 158 Ų | 158 | 125.7 Ų | 125.7 | 81% | 0.81 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -63.8 | -31.5 | -176.3 | -60.8 | 165.4 | 0 | 0 | 0 | 110.8 | K196 | K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 2.97Å |
| 199 | K | 69.3 | Low | 71.3 | Confident | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.787 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -76.9 | -28.3 | -178.3 | -96.9 | -175.1 | 172.8 | -178.6 | 0 | 113.8 | N197 | N197-K199 PolarHBondContact O-N 3.43Å; N197-K199 PolarHBondContact OD1-N 3.03Å |
| 200 | F | 64.2 | Low | 69.9 | Low | 92 Ų | 92 | 133.6 Ų | 133.6 | 40% | 0.404 | 63% | 0.629 | S | S | . | * | trans | -138.5 | 80.2 | -175.2 | -53.4 | -75.4 | 0 | 0 | 0 | 111.5 | N197 R202 Y203 | N197-F200 CarbonylContact O-C 2.83Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 PolarHBondContact OD1-N 3.47Å; F200-R202 PolarHBondContact O-N 3.42Å; F200-Y203 HydrophobicContact CB-CD2 3.44Å; F200-Y203 VanDerWaalsContact CB-CD2 3.44Å; F200-Y203 HydrophobicContact CB-CE2 4.09Å; F200-Y203 HydrophobicContact CB-CG 4.39Å; F200-Y203 HydrophobicContact CD1-CD2 4.2Å; F200-Y203 AromaticContact CD1-CE2 4Å; F200-Y203 HydrophobicContact CD1-CE2 4Å; F200-Y203 AromaticContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CE2 4.12Å; F200-Y203 PolarHBondContact O-N 3.32Å | ||
| 201 | E | 64.3 | Low | 68.6 | Low | 140 Ų | 140 | 133.9 Ų | 133.9 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -57.7 | -31 | 175.4 | -70 | -166.8 | 135 | 0 | 0 | 112.6 | Y203 R204 | E201-Y203 VanDerWaalsContact C-N 3.31Å; E201-Y203 PolarHBondContact O-N 3.38Å; E201-R204 WeakPolarHBondContact O-CB 3.41Å; E201-R204 PolarHBondContact O-N 2.78Å; E201-R204 IonicContact OE1-NH1 3.91Å |
| 202 | R | 67.4 | Low | 67.2 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -68.4 | -20.3 | -179.4 | 61.3 | -176.7 | -179.7 | -172.7 | -0.3 | 115.4 | F200 | F200-R202 PolarHBondContact O-N 3.42Š|
| 203 | Y | 61.9 | Low | 65.8 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 52% | 0.522 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -99 | 13.8 | 178.8 | -58.4 | -60.3 | 0 | 0 | 0 | 113 | F200 E201 D205 | F200-Y203 HydrophobicContact CB-CD2 3.44Å; F200-Y203 VanDerWaalsContact CB-CD2 3.44Å; F200-Y203 HydrophobicContact CB-CE2 4.09Å; F200-Y203 HydrophobicContact CB-CG 4.39Å; F200-Y203 HydrophobicContact CD1-CD2 4.2Å; F200-Y203 AromaticContact CD1-CE2 4Å; F200-Y203 HydrophobicContact CD1-CE2 4Å; F200-Y203 AromaticContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CE2 4.12Å; F200-Y203 PolarHBondContact O-N 3.32Å; E201-Y203 VanDerWaalsContact C-N 3.31Å; E201-Y203 PolarHBondContact O-N 3.38Å; Y203-D205 VanDerWaalsContact C-N 3.34Å; Y203-D205 PolarHBondContact O-N 2.81Å |
| 204 | R | 59.2 | Low | 64.3 | Low | 108 Ų | 108 | 143 Ų | 143 | 41% | 0.408 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -63.9 | -32.3 | -174.3 | -115.2 | -179.6 | 165.4 | 139.3 | -0.5 | 115.3 | K196 E201 | K196-R204 VanDerWaalsContact CG-NH2 3.29Å; E201-R204 WeakPolarHBondContact O-CB 3.41Å; E201-R204 PolarHBondContact O-N 2.78Å; E201-R204 IonicContact OE1-NH1 3.91Å |
| 205 | D | 61.1 | Low | 62.9 | Low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -132.5 | 17.8 | -169.8 | -62.2 | -55.8 | 0 | 0 | 0 | 112.6 | K194 Y203 | K194-D205 IonicContact NZ-OD1 2.8Å; K194-D205 PolarHBondContact NZ-OD1 2.95Å; Y203-D205 VanDerWaalsContact C-N 3.34Å; Y203-D205 PolarHBondContact O-N 2.81Å |
| 206 | S | 54.9 | Low | 62.5 | Low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | trans | -72.3 | 132.5 | 168.2 | -109.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 207 | P | 54.7 | Low | 62.2 | Low | 197 Ų | 197 | 135.4 Ų | 135.4 | 100% | 1.279 | 66% | 0.661 | S | S | * | * | trans | -61 | 0 | 178.1 | 25.5 | -32.8 | 0 | 0 | 0 | 112.9 |
Retrieved 207 of 207 residues in 69.2 ms
(Link to these results)