| 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 | 66.1 | Low | 89.5 | Confident | 244 Ų | 244 | 151.5 Ų | 151.5 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | 0 | 121.8 | 0 | -80.4 | 176.7 | 151.3 | 0 | 0 | 107.5 | |||||
| 2 | A | 83.6 | Confident | 90 | Very high | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | P | 88.9 | Confident | 90.5 | Very high | 130 Ų | 130 | 145.9 Ų | 145.9 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.7 | 174.8 | 26.1 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 4 | S | 92 | Very high | 90.9 | Very high | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 167 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | N6 | S4-N6 PolarHBondContact O-N 3.26Š|
| 5 | R | 90.9 | Very high | 91.2 | Very high | 254 Ų | 254 | 146.6 Ų | 146.6 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 2.3 | -96.5 | -179.5 | -65.3 | -176.1 | -179.8 | 178.5 | 0 | 114.3 | ||
| 6 | N | 91.3 | Very high | 91.6 | Very high | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -128.3 | 122.8 | 177.4 | -172.8 | 6.2 | 0 | 0 | 0 | 109.4 | S4 | S4-N6 PolarHBondContact O-N 3.26Š|
| 7 | G | 92.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 144.2 Ų | 144.2 | 58% | 0.577 | 75% | 0.748 | S | S | * | * | trans | -157.4 | 162.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | M | 94.8 | Very high | 92.2 | Very high | 166 Ų | 166 | 142.4 Ų | 142.4 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -68.6 | 137.6 | -178.8 | -161.7 | 171.4 | -161.8 | 0 | 0 | 110.8 | L10 | M8-L10 HydrophobicContact CB-CD2 4.11Å; M8-L10 HydrophobicContact CG-CD2 4.26Å; M8-L10 PolarHBondContact O-N 3.25Å; M8-L10 HydrophobicContact SD-CD2 4.37Å | ||
| 9 | I | 93.3 | Very high | 92.5 | Very high | 162 Ų | 162 | 142.3 Ų | 142.3 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | -71.5 | 100.5 | 169.7 | -60.2 | 171.9 | 0 | 0 | 0 | 107.8 | ||||
| 10 | L | 95.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 145.8 Ų | 145.8 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | trans | -86.5 | 144.8 | 178.6 | -58.1 | 179.5 | 0 | 0 | 0 | 110.7 | M8 P12 | M8-L10 HydrophobicContact CB-CD2 4.11Å; M8-L10 HydrophobicContact CG-CD2 4.26Å; M8-L10 PolarHBondContact O-N 3.25Å; M8-L10 HydrophobicContact SD-CD2 4.37Å; L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 WeakPolarHBondContact O-CD 3.32Å | ||
| 11 | K | 96.3 | Very high | 92.9 | Very high | 171 Ų | 171 | 146.9 Ų | 146.9 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -116.9 | 74.2 | 168.3 | -65.8 | -172 | 177.9 | -175.2 | 0 | 109.6 | H13 | K11-H13 PolarHBondContact O-CE1 3.27Å; K11-H13 VanDerWaalsContact O-CE1 3.28Å; K11-H13 PolarHBondContact O-N 3.19Å; K11-H13 PolarHBondContact O-ND1 3.42Å | ||
| 12 | P | 95.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 139 Ų | 139 | 42% | 0.416 | 69% | 0.691 | S | S | . | * | trans | -69.5 | 121.3 | 179.9 | 27.3 | -32.5 | 0 | 0 | 0 | 110.5 | L10 F14 H15 | L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 WeakPolarHBondContact O-CD 3.32Å; P12-F14 HydrophobicContact CB-CD2 3.81Å; P12-F14 HydrophobicContact CB-CE2 4.31Å; P12-F14 PolarHBondContact O-N 3.41Å; P12-H15 PolarHBondContact O-CD2 3.02Å; P12-H15 VanDerWaalsContact O-CD2 3.26Å; P12-H15 PolarHBondContact O-NE2 2.9Å; P12-H15 VanDerWaalsContact O-NE2 3.11Å | ||
| 13 | H | 96.6 | Very high | 95 | Very high | 166 Ų | 166 | 141.1 Ų | 141.1 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | -86.8 | 51.4 | -178 | -68.3 | 58 | 0 | 0 | 0 | 111.7 | K11 | K11-H13 PolarHBondContact O-CE1 3.27Å; K11-H13 VanDerWaalsContact O-CE1 3.28Å; K11-H13 PolarHBondContact O-N 3.19Å; K11-H13 PolarHBondContact O-ND1 3.42Å | ||
| 14 | F | 96.3 | Very high | 95.5 | Very high | 135 Ų | 135 | 138.8 Ų | 138.8 | 59% | 0.592 | 67% | 0.673 | S | S | * | * | trans | -110.1 | 20 | -179.6 | -61.4 | -60.9 | 0 | 0 | 0 | 112.9 | P12 W18 | P12-F14 HydrophobicContact CB-CD2 3.81Å; P12-F14 HydrophobicContact CB-CE2 4.31Å; P12-F14 PolarHBondContact O-N 3.41Å; F14-W18 AromaticContact CD1-CD1 3.92Å; F14-W18 HydrophobicContact CD1-CD2 4.02Å; F14-W18 AromaticContact CD1-CE2 4Å; F14-W18 AromaticContact CD1-CG 3.98Å; F14-W18 HydrophobicContact CD1-CG 3.98Å; F14-W18 AromaticContact CD1-NE1 3.92Å | ||
| 15 | H | 95.5 | Very high | 95.7 | Very high | 167 Ų | 167 | 141.9 Ų | 141.9 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | trans | -80.9 | -11.8 | -176 | -60 | -69.9 | 0 | 0 | 0 | 115 | P12 | P12-H15 PolarHBondContact O-CD2 3.02Å; P12-H15 VanDerWaalsContact O-CD2 3.26Å; P12-H15 PolarHBondContact O-NE2 2.9Å; P12-H15 VanDerWaalsContact O-NE2 3.11Å | ||
| 16 | K | 97 | Very high | 96.1 | Very high | 165 Ų | 165 | 138.1 Ų | 138.1 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -98.6 | 167.7 | 173.7 | -63.7 | -175.1 | 179.5 | -176.7 | 0 | 109.2 | W18 | K16-W18 VanDerWaalsContact O-CD1 3.3Å; K16-W18 PolarHBondContact O-N 3.35Å |
| 17 | D | 96.6 | Very high | 96.4 | Very high | 88 Ų | 88 | 134 Ų | 134 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | trans | -65.4 | 83.1 | 168.8 | -179.6 | 20.5 | 0 | 0 | 0 | 110.6 | R20 R21 | D17-R20 PolarHBondContact OD1-N 2.91Å; D17-R20 WeakPolarHBondContact OD2-CB 3.32Å; D17-R20 WeakPolarHBondContact OD2-CD 3.4Å; D17-R21 PolarHBondContact O-NE 2.9Å; D17-R21 PolarHBondContact O-NH2 2.92Å | ||
| 18 | W | 97.3 | Very high | 96.7 | Very high | 112 Ų | 112 | 135.4 Ų | 135.4 | 42% | 0.424 | 63% | 0.63 | S | S | . | * | trans | -87.1 | -28.5 | 179.2 | 67.1 | -93.6 | 0 | 0 | 0 | 110.9 | F14 K16 R20 R21 V22 | F14-W18 AromaticContact CD1-CD1 3.92Å; F14-W18 HydrophobicContact CD1-CD2 4.02Å; F14-W18 AromaticContact CD1-CE2 4Å; F14-W18 AromaticContact CD1-CG 3.98Å; F14-W18 HydrophobicContact CD1-CG 3.98Å; F14-W18 AromaticContact CD1-NE1 3.92Å; K16-W18 VanDerWaalsContact O-CD1 3.3Å; K16-W18 PolarHBondContact O-N 3.35Å; W18-R20 VanDerWaalsContact C-N 3.27Å; W18-R20 PolarHBondContact O-N 3.48Å; W18-R21 CarbonylContact O-C 3.44Å; W18-R21 PolarHBondContact O-N 3.23Å; W18-V22 HydrophobicContact CE3-CG2 3.67Å; W18-V22 HydrophobicContact CZ3-CG2 3.67Å; W18-V22 WeakPolarHBondContact O-CG2 3.44Å | ||
| 19 | Q | 97.3 | Very high | 96.9 | Very high | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.654 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -61.4 | -35.9 | -179.1 | -65.6 | -176.1 | 9.5 | 0 | 0 | 111.4 | R21 V22 | Q19-R21 PolarHBondContact O-N 3.49Å; Q19-V22 WeakPolarHBondContact O-CG2 3.27Å |
| 20 | R | 97.6 | Very high | 97.1 | Very high | 211 Ų | 211 | 126.4 Ų | 126.4 | 80% | 0.796 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -63.7 | -23.7 | 172.4 | -175.8 | 174.7 | 178 | -178.8 | 1.9 | 114.6 | D17 W18 | D17-R20 PolarHBondContact OD1-N 2.91Å; D17-R20 WeakPolarHBondContact OD2-CB 3.32Å; D17-R20 WeakPolarHBondContact OD2-CD 3.4Å; W18-R20 VanDerWaalsContact C-N 3.27Å; W18-R20 PolarHBondContact O-N 3.48Å |
| 21 | R | 96.8 | Very high | 97.3 | Very high | 169 Ų | 169 | 123.7 Ų | 123.7 | 64% | 0.638 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -115.1 | 36.2 | -174.5 | -68.6 | 172.6 | -72.4 | -173.6 | -7.1 | 112.2 | D17 W18 Q19 D23 | D17-R21 PolarHBondContact O-NE 2.9Å; D17-R21 PolarHBondContact O-NH2 2.92Å; W18-R21 CarbonylContact O-C 3.44Å; W18-R21 PolarHBondContact O-N 3.23Å; Q19-R21 PolarHBondContact O-N 3.49Å; R21-D23 PolarHBondContact O-N 3.48Å |
| 22 | V | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 121.7 Ų | 121.7 | 47% | 0.473 | 57% | 0.571 | S | S | . | * | trans | -85.3 | 105.8 | 176 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | W18 Q19 T24 | W18-V22 HydrophobicContact CE3-CG2 3.67Å; W18-V22 HydrophobicContact CZ3-CG2 3.67Å; W18-V22 WeakPolarHBondContact O-CG2 3.44Å; Q19-V22 WeakPolarHBondContact O-CG2 3.27Å; V22-T24 HydrophobicContact CG1-CG2 4.32Å; V22-T24 PolarHBondContact O-N 3.31Å | ||
| 23 | D | 97.1 | Very high | 97.5 | Very high | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 58% | 0.576 | S | S | * | * | trans | -80.3 | 108.1 | 170 | -78.2 | -30.7 | 0 | 0 | 0 | 110.5 | R21 | R21-D23 PolarHBondContact O-N 3.48Š| ||
| 24 | T | 97.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 123.5 Ų | 123.5 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | trans | -82.1 | 146.7 | 171.5 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | V22 F26 | V22-T24 HydrophobicContact CG1-CG2 4.32Å; V22-T24 PolarHBondContact O-N 3.31Å; T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE2 3.87Å; T24-F26 WeakPolarHBondContact OG1-CD2 2.85Å | ||
| 25 | W | 98.1 | Very high | 97.7 | Very high | 163 Ų | 163 | 124 Ų | 124 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | trans | -102.8 | 19.8 | -175.9 | -67.8 | 82.7 | 0 | 0 | 0 | 113.6 | N27 Q28 | W25-N27 PolarHBondContact O-N 2.94Å; W25-N27 VanDerWaalsContact O-N 3.16Å; W25-Q28 WeakPolarHBondContact O-CB 3.43Å; W25-Q28 PolarHBondContact O-N 3.35Å | ||
| 26 | F | 98.3 | Very high | 97.9 | Very high | 176 Ų | 176 | 123.5 Ų | 123.5 | 77% | 0.772 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -26.6 | 177.7 | -57 | -50.2 | 0 | 0 | 0 | 113 | T24 Q28 P29 | T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE2 3.87Å; T24-F26 WeakPolarHBondContact OG1-CD2 2.85Å; F26-Q28 PolarHBondContact O-N 3.23Å; F26-P29 WeakPolarHBondContact O-CD 3.47Å |
| 27 | N | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 122.3 Ų | 122.3 | 40% | 0.401 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -2.8 | 176 | 67.6 | 13.3 | 0 | 0 | 0 | 114.4 | W25 A30 R31 | W25-N27 PolarHBondContact O-N 2.94Å; W25-N27 VanDerWaalsContact O-N 3.16Å; N27-A30 PolarHBondContact O-N 3.48Å; N27-R31 PolarHBondContact ND2-NH2 3.11Å; N27-R31 VanDerWaalsContact ND2-NH2 3.1Å; N27-R31 VanDerWaalsContact O-CB 3.29Å; N27-R31 WeakPolarHBondContact O-CB 3.34Å; N27-R31 PolarHBondContact O-N 2.9Å; N27-R31 PolarHBondContact OD1-NH2 3.04Å |
| 28 | Q | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 121 Ų | 121 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.5 | -50.5 | -176.5 | -167.2 | -163.5 | 92.3 | 0 | 0 | 113.7 | W25 F26 R31 K32 | W25-Q28 WeakPolarHBondContact O-CB 3.43Å; W25-Q28 PolarHBondContact O-N 3.35Å; F26-Q28 PolarHBondContact O-N 3.23Å; Q28-R31 PolarHBondContact O-N 3.08Å; Q28-K32 WeakPolarHBondContact O-CG 3.27Å; Q28-K32 PolarHBondContact O-N 2.91Å |
| 29 | P | 98.5 | Very high | 98 | Very high | 78 Ų | 78 | 122.9 Ų | 122.9 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.6 | -44.7 | 177.1 | 22.5 | -34 | 0 | 0 | 0 | 112.6 | F26 R31 K32 I33 | F26-P29 WeakPolarHBondContact O-CD 3.47Å; P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 3.46Å; P29-K32 WeakPolarHBondContact O-CB 3.35Å; P29-K32 PolarHBondContact O-N 3.27Å; P29-K32 VanDerWaalsContact O-N 3.08Å; P29-I33 PolarHBondContact O-N 3.08Å |
| 30 | A | 98.5 | Very high | 98 | Very high | 61 Ų | 61 | 119.9 Ų | 119.9 | 50% | 0.504 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | N27 K32 I33 R34 | N27-A30 PolarHBondContact O-N 3.48Å; A30-K32 PolarHBondContact O-N 3.42Å; A30-I33 PolarHBondContact O-N 3.1Å; A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 PolarHBondContact O-N 2.71Å |
| 31 | R | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 112.6 Ų | 112.6 | 28% | 0.279 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 175.5 | -164.3 | -173.9 | -64.6 | 177.3 | -2.6 | 112 | N27 Q28 P29 R35 | N27-R31 PolarHBondContact ND2-NH2 3.11Å; N27-R31 VanDerWaalsContact ND2-NH2 3.1Å; N27-R31 VanDerWaalsContact O-CB 3.29Å; N27-R31 WeakPolarHBondContact O-CB 3.34Å; N27-R31 PolarHBondContact O-N 2.9Å; N27-R31 PolarHBondContact OD1-NH2 3.04Å; Q28-R31 PolarHBondContact O-N 3.08Å; P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 3.46Å; R31-R35 WeakPolarHBondContact O-CB 3.45Å; R31-R35 VanDerWaalsContact O-CG 3.27Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 2.9Å |
| 32 | K | 98.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 109.1 Ų | 109.1 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 174.4 | -74.7 | 174.5 | 179.8 | 170 | 0 | 111 | Q28 P29 A30 R35 R36 | Q28-K32 WeakPolarHBondContact O-CG 3.27Å; Q28-K32 PolarHBondContact O-N 2.91Å; P29-K32 WeakPolarHBondContact O-CB 3.35Å; P29-K32 PolarHBondContact O-N 3.27Å; P29-K32 VanDerWaalsContact O-N 3.08Å; A30-K32 PolarHBondContact O-N 3.42Å; K32-R35 PolarHBondContact O-N 3.38Å; K32-R36 PolarHBondContact O-N 2.96Å |
| 33 | I | 98.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 106.1 Ų | 106.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 177.5 | -65.8 | 170.3 | 0 | 0 | 0 | 110.6 | P29 A30 R35 R36 K37 | P29-I33 PolarHBondContact O-N 3.08Å; A30-I33 PolarHBondContact O-N 3.1Å; I33-R35 PolarHBondContact O-N 2.96Å; I33-R36 WeakPolarHBondContact O-CB 2.74Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.08Å; I33-K37 HydrophobicContact CG2-CD 4.27Å; I33-K37 HydrophobicContact CG2-CG 4.44Å; I33-K37 PolarHBondContact O-N 2.94Å |
| 34 | R | 98.6 | Very high | 97.8 | Very high | 170 Ų | 170 | 108.6 Ų | 108.6 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.7 | -47.8 | 177.5 | -175.1 | 174.8 | 64.3 | 129.6 | -5.2 | 111.9 | A30 R36 K37 A38 | A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 PolarHBondContact O-N 2.71Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.45Å; R34-K37 PolarHBondContact O-N 3.4Å; R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.78Å |
| 35 | R | 98.4 | Very high | 97.8 | Very high | 144 Ų | 144 | 114.4 Ų | 114.4 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 176.8 | -72.9 | 174.3 | 176.6 | 178.6 | -0.8 | 112.3 | R31 K32 I33 R39 | R31-R35 WeakPolarHBondContact O-CB 3.45Å; R31-R35 VanDerWaalsContact O-CG 3.27Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 2.9Å; K32-R35 PolarHBondContact O-N 3.38Å; I33-R35 PolarHBondContact O-N 2.96Å; R35-R39 WeakPolarHBondContact O-CB 3.43Å; R35-R39 WeakPolarHBondContact O-CG 3.36Å; R35-R39 PolarHBondContact O-N 2.87Å; R35-R39 PolarHBondContact O-NE 3.4Å |
| 36 | R | 98.2 | Very high | 97.7 | Very high | 158 Ų | 158 | 108.3 Ų | 108.3 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -51.4 | 175.4 | -179.5 | -178.1 | 177 | 178 | 0.8 | 111.3 | K32 I33 R34 A38 R39 Q40 | K32-R36 PolarHBondContact O-N 2.96Å; I33-R36 WeakPolarHBondContact O-CB 2.74Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.08Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.45Å; R36-A38 VanDerWaalsContact C-N 3.35Å; R36-A38 PolarHBondContact O-N 3.36Å; R36-R39 WeakPolarHBondContact O-CB 3.41Å; R36-R39 PolarHBondContact O-N 3.2Å; R36-R39 VanDerWaalsContact O-N 3.16Å; R36-Q40 WeakPolarHBondContact O-CG 3.23Å; R36-Q40 PolarHBondContact O-N 2.68Å |
| 37 | K | 98.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 102.8 Ų | 102.8 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.6 | -45.1 | 178.1 | -70.3 | -175.3 | 177 | -175.4 | 0 | 111.3 | I33 R34 R39 Q40 A41 | I33-K37 HydrophobicContact CG2-CD 4.27Å; I33-K37 HydrophobicContact CG2-CG 4.44Å; I33-K37 PolarHBondContact O-N 2.94Å; R34-K37 PolarHBondContact O-N 3.4Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.98Å; K37-Q40 PolarHBondContact O-N 3.42Å; K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 3.42Å |
| 38 | A | 97.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 101.9 Ų | 101.9 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R34 R36 K42 | R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.78Å; R36-A38 VanDerWaalsContact C-N 3.35Å; R36-A38 PolarHBondContact O-N 3.36Å; A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.16Å |
| 39 | R | 97.2 | Very high | 97.1 | Very high | 153 Ų | 153 | 105.4 Ų | 105.4 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 174.3 | -79.9 | -176.8 | -109.7 | 114.3 | -6.4 | 112.1 | R35 R36 K37 K42 A43 | R35-R39 WeakPolarHBondContact O-CB 3.43Å; R35-R39 WeakPolarHBondContact O-CG 3.36Å; R35-R39 PolarHBondContact O-N 2.87Å; R35-R39 PolarHBondContact O-NE 3.4Å; R36-R39 WeakPolarHBondContact O-CB 3.41Å; R36-R39 PolarHBondContact O-N 3.2Å; R36-R39 VanDerWaalsContact O-N 3.16Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.98Å; R39-K42 PolarHBondContact O-N 3.02Å; R39-A43 WeakPolarHBondContact O-CB 3.36Å; R39-A43 PolarHBondContact O-N 3.41Å |
| 40 | Q | 96.8 | Very high | 96.9 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.9 | -71.4 | 170.1 | -29.1 | 0 | 0 | 111.7 | R36 K37 K42 A43 R44 | R36-Q40 WeakPolarHBondContact O-CG 3.23Å; R36-Q40 PolarHBondContact O-N 2.68Å; K37-Q40 PolarHBondContact O-N 3.42Å; Q40-K42 PolarHBondContact O-N 3.23Å; Q40-A43 PolarHBondContact O-N 3.38Å; Q40-R44 WeakPolarHBondContact O-CG 3.33Å; Q40-R44 PolarHBondContact O-N 3.45Å |
| 41 | A | 97.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 102.2 Ų | 102.2 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K37 A43 R44 R45 | K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 3.42Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.14Å; A41-R44 PolarHBondContact O-N 3.49Å; A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 2.93Å |
| 42 | K | 96.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 102 Ų | 102 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 174.4 | -178 | -173 | 174.7 | -166.4 | 0 | 111.8 | A38 R39 Q40 R45 I46 | A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.16Å; R39-K42 PolarHBondContact O-N 3.02Å; Q40-K42 PolarHBondContact O-N 3.23Å; K42-R45 PolarHBondContact O-N 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.35Å; K42-I46 PolarHBondContact O-N 3.31Å |
| 43 | A | 96.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 97 Ų | 97 | 12% | 0.124 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R39 Q40 A41 I46 A47 A51 Q149 | R39-A43 WeakPolarHBondContact O-CB 3.36Å; R39-A43 PolarHBondContact O-N 3.41Å; Q40-A43 PolarHBondContact O-N 3.38Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.14Å; A43-I46 PolarHBondContact O-N 2.95Å; A43-A47 PolarHBondContact O-N 2.89Å; A43-A51 HydrophobicContact CB-CB 3.75Å; A43-Q149 PolarHBondContact O-NE2 3.35Å |
| 44 | R | 96.3 | Very high | 96 | Very high | 193 Ų | 193 | 94.9 Ų | 94.9 | 73% | 0.728 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 174.9 | -67.5 | 177.7 | -171.4 | 149.2 | -1.3 | 112 | Q40 A41 I46 A47 | Q40-R44 WeakPolarHBondContact O-CG 3.33Å; Q40-R44 PolarHBondContact O-N 3.45Å; A41-R44 PolarHBondContact O-N 3.49Å; R44-I46 VanDerWaalsContact C-N 3.29Å; R44-I46 PolarHBondContact O-N 2.92Å; R44-A47 PolarHBondContact O-N 3.38Å |
| 45 | R | 97.2 | Very high | 95.9 | Very high | 203 Ų | 203 | 86.9 Ų | 86.9 | 77% | 0.766 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.7 | -33.3 | -178.3 | -176 | 174.9 | 66.4 | 179.1 | 1.9 | 114.1 | A41 K42 | A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 2.93Å; K42-R45 PolarHBondContact O-N 3.25Å |
| 46 | I | 95.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 85.1 Ų | 85.1 | 18% | 0.179 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 4.5 | -173.5 | 71.4 | 178.2 | 0 | 0 | 0 | 113.8 | K42 A43 R44 R49 | K42-I46 WeakPolarHBondContact O-CG1 3.35Å; K42-I46 PolarHBondContact O-N 3.31Å; A43-I46 PolarHBondContact O-N 2.95Å; R44-I46 VanDerWaalsContact C-N 3.29Å; R44-I46 PolarHBondContact O-N 2.92Å; I46-R49 HydrophobicContact CB-CB 4.5Å; I46-R49 HydrophobicContact CD1-CB 4.47Å; I46-R49 HydrophobicContact CG1-CB 4.36Å; I46-R49 VanDerWaalsContact O-CB 3.25Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 WeakPolarHBondContact O-CG 3.5Å; I46-R49 PolarHBondContact O-N 3.28Å |
| 47 | A | 92.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A43 R44 | A43-A47 PolarHBondContact O-N 2.89Å; R44-A47 PolarHBondContact O-N 3.38Å |
| 48 | P | 93.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.6 | 4.5 | 9.7 | 33.8 | -35.8 | 0 | 0 | 0 | 115.6 | F127 | P48-F127 HydrophobicContact CB-CZ 4.46Å; P48-F127 HydrophobicContact CG-CD2 4.24Å; P48-F127 HydrophobicContact CG-CE1 4.31Å; P48-F127 HydrophobicContact CG-CE2 3.84Å; P48-F127 HydrophobicContact CG-CZ 3.88Å |
| 49 | R | 95.5 | Very high | 95.9 | Very high | 159 Ų | 159 | 71.9 Ų | 71.9 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -65.5 | 149.5 | -172.3 | -57 | -178.6 | -173.7 | 90.4 | -1.4 | 112.9 | I46 A51 Q149 | I46-R49 HydrophobicContact CB-CB 4.5Å; I46-R49 HydrophobicContact CD1-CB 4.47Å; I46-R49 HydrophobicContact CG1-CB 4.36Å; I46-R49 VanDerWaalsContact O-CB 3.25Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 WeakPolarHBondContact O-CG 3.5Å; I46-R49 PolarHBondContact O-N 3.28Å; R49-A51 PolarHBondContact O-N 3.49Å; R49-Q149 PolarHBondContact O-NE2 2.81Å |
| 50 | P | 95.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 25% | 0.253 | 36% | 0.358 | S | S | . | . | trans | -57.7 | 131 | 175.4 | -25.9 | 34.7 | 0 | 0 | 0 | 113.8 | S52 G53 L150 V154 | P50-S52 VanDerWaalsContact C-N 3.25Å; P50-S52 PolarHBondContact O-N 3.21Å; P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.11Å; P50-L150 HydrophobicContact CB-CB 4.35Å; P50-L150 HydrophobicContact CG-CB 4.38Å; P50-V154 HydrophobicContact CB-CG2 3.57Å; P50-V154 HydrophobicContact CG-CG2 3.81Å | ||
| 51 | A | 91.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 69.2 Ų | 69.2 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A43 R49 G53 | A43-A51 HydrophobicContact CB-CB 3.75Å; R49-A51 PolarHBondContact O-N 3.49Å; A51-G53 PolarHBondContact O-N 2.84Å |
| 52 | S | 91.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 49% | 0.49 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.7 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 113.5 | P50 G152 | P50-S52 VanDerWaalsContact C-N 3.25Å; P50-S52 PolarHBondContact O-N 3.21Å; S52-G152 WeakPolarHBondContact CB-O 3.36Å |
| 53 | G | 93.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 71 Ų | 71 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | trans | 86.3 | -158.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P50 A51 | P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.11Å; A51-G53 PolarHBondContact O-N 2.84Å | ||
| 54 | P | 96.7 | Very high | 95.9 | Very high | 55 Ų | 55 | 76.6 Ų | 76.6 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -71.7 | 151.8 | -168.7 | 29.1 | -36.1 | 0 | 0 | 0 | 113.2 | G95 | P54-G95 CarbonylContact C-O 3.39Å; P54-G95 WeakPolarHBondContact CA-O 3.43Å; P54-G95 WeakPolarHBondContact CB-O 3.45Å |
| 55 | I | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 139.9 | 175.8 | -174.1 | 169.9 | 0 | 0 | 0 | 110.7 | F76 G95 I96 S97 R116 Y120 V154 M155 | I55-F76 HydrophobicContact CG1-CE2 4.41Å; I55-F76 HydrophobicContact CG1-CZ 4.49Å; I55-F76 HydrophobicContact CG2-CE2 4.01Å; I55-G95 PolarHBondContact N-O 3.37Å; I55-I96 HydrophobicContact CG2-CB 4.44Å; I55-I96 HydrophobicContact CG2-CG1 4.07Å; I55-S97 WeakPolarHBondContact O-CB 3.4Å; I55-S97 PolarHBondContact O-N 3.34Å; I55-S97 PolarHBondContact O-OG 3.45Å; I55-R116 HydrophobicContact CD1-CG 4.12Å; I55-Y120 HydrophobicContact CB-CD2 4.17Å; I55-Y120 HydrophobicContact CB-CE2 4.22Å; I55-Y120 HydrophobicContact CD1-CD2 3.78Å; I55-Y120 HydrophobicContact CD1-CG 3.93Å; I55-Y120 HydrophobicContact CG2-CD1 3.9Å; I55-Y120 HydrophobicContact CG2-CD2 3.99Å; I55-Y120 HydrophobicContact CG2-CE1 3.94Å; I55-Y120 HydrophobicContact CG2-CE2 4.06Å; I55-Y120 HydrophobicContact CG2-CG 3.9Å; I55-V154 HydrophobicContact CB-CG1 4.34Å; I55-M155 HydrophobicContact CD1-CB 4.16Å; I55-M155 HydrophobicContact CD1-CG 4.3Å; I55-M155 HydrophobicContact CD1-SD 3.58Å; I55-M155 VanDerWaalsContact CD1-SD 3.58Å |
| 56 | R | 97.9 | Very high | 96 | Very high | 107 Ų | 107 | 71.3 Ų | 71.3 | 40% | 0.404 | 38% | 0.376 | S | S | . | . | trans | -107.5 | 148.7 | 178.5 | -57.4 | -57.2 | -176.2 | 92 | -2.9 | 111.1 | A72 G73 R74 S97 R116 | R56-A72 HydrophobicContact CB-CB 3.94Å; R56-A72 HydrophobicContact CG-CB 4.41Å; R56-G73 WeakPolarHBondContact CD-O 3.3Å; R56-G73 PolarHBondContact NH1-O 3.28Å; R56-G73 VanDerWaalsContact NH1-O 3.16Å; R56-R74 WeakPolarHBondContact CD-O 3.24Å; R56-S97 VanDerWaalsContact CD-OG 3.3Å; R56-S97 WeakPolarHBondContact CD-OG 3.46Å; R56-R116 PolarHBondContact O-NE 2.95Å; R56-R116 PolarHBondContact O-NH2 2.66Å | ||
| 57 | P | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -74.1 | 163.3 | 176.7 | 35 | -41.1 | 0 | 0 | 0 | 111.8 | V59 G73 G75 F76 I157 | P57-V59 HydrophobicContact CB-CG2 4.47Å; P57-V59 HydrophobicContact CG-CG2 4.04Å; P57-G73 PolarHBondContact O-N 3.05Å; P57-G75 WeakPolarHBondContact CG-O 3.36Å; P57-F76 HydrophobicContact CB-CD1 3.83Å; P57-F76 HydrophobicContact CB-CD2 4.38Å; P57-F76 HydrophobicContact CB-CE1 3.79Å; P57-F76 HydrophobicContact CB-CE2 4.34Å; P57-F76 HydrophobicContact CB-CG 4.14Å; P57-F76 HydrophobicContact CB-CZ 4.06Å; P57-I157 WeakPolarHBondContact O-CD1 3.36Å | ||
| 58 | I | 97.9 | Very high | 96.2 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.3 | 171.3 | -61.7 | 173.9 | 0 | 0 | 0 | 108.2 | V70 N113 I157 | I58-V70 HydrophobicContact CB-CG1 4.44Å; I58-V70 HydrophobicContact CG2-CG1 3.22Å; I58-N113 WeakPolarHBondContact CB-OD1 3.32Å; I58-N113 PolarHBondContact N-OD1 3.26Å; I58-N113 PolarHBondContact O-ND2 3.24Å; I58-N113 VanDerWaalsContact O-ND2 3.12Å; I58-N113 PolarHBondContact O-OD1 2.98Å; I58-I157 HydrophobicContact CB-CD1 4.49Å; I58-I157 HydrophobicContact CG1-CD1 3.89Å; I58-I157 HydrophobicContact CG1-CG1 3.94Å; I58-I157 HydrophobicContact CG1-CG2 4.34Å |
| 59 | V | 97.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.5 | -175.7 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | P57 V70 R71 | P57-V59 HydrophobicContact CB-CG2 4.47Å; P57-V59 HydrophobicContact CG-CG2 4.04Å; V59-V70 WeakPolarHBondContact O-CA 3.34Å; V59-R71 PolarHBondContact N-O 3.37Å; V59-R71 PolarHBondContact O-N 3.28Å |
| 60 | R | 96.6 | Very high | 96.4 | Very high | 151 Ų | 151 | 71.3 Ų | 71.3 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 141.9 | 170.7 | -68.8 | -77.9 | 178 | -175.8 | 1 | 110.7 | H67 T68 V70 | R60-H67 VanDerWaalsContact CD-O 3.3Å; R60-H67 WeakPolarHBondContact CD-O 3.24Å; R60-H67 PolarHBondContact NH1-O 3.31Å; R60-T68 PolarHBondContact NH1-O 3.22Å; R60-V70 VanDerWaalsContact CZ-CG2 3.4Å; R60-V70 VanDerWaalsContact NH1-CG2 3.32Å |
| 61 | C | 96.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 75 Ų | 75 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | trans | -71.3 | 148.4 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | Y66 H67 K69 | C61-Y66 WeakPolarHBondContact CB-O 3.41Å; C61-H67 WeakPolarHBondContact O-CA 3.42Å; C61-K69 PolarHBondContact N-O 2.89Å | ||
| 62 | P | 96.2 | Very high | 96.8 | Very high | 119 Ų | 119 | 75.9 Ų | 75.9 | 77% | 0.773 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -82.5 | -20.2 | -163.8 | 30.1 | -35.9 | 0 | 0 | 0 | 115.9 | ||
| 63 | T | 97.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 72.8 Ų | 72.8 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -99.9 | 156 | -172.8 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | R65 Y66 H67 | T63-R65 PolarHBondContact O-N 3.06Å; T63-R65 VanDerWaalsContact O-N 3.12Å; T63-Y66 CarbonylContact O-C 3.6Å; T63-Y66 PolarHBondContact O-N 3.4Å; T63-Y66 WeakPolarHBondContact OG1-CD2 3.44Å; T63-H67 PolarHBondContact O-N 3.24Å |
| 64 | V | 97.6 | Very high | 97.2 | Very high | 133 Ų | 133 | 78.9 Ų | 78.9 | 81% | 0.806 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.8 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | Y66 H67 | V64-Y66 VanDerWaalsContact C-N 3.32Å; V64-Y66 PolarHBondContact O-N 2.97Å; V64-H67 PolarHBondContact O-CD2 3.39Å; V64-H67 PolarHBondContact O-NE2 3.31Å |
| 65 | R | 97.8 | Very high | 97.3 | Very high | 195 Ų | 195 | 76.3 Ų | 76.3 | 74% | 0.736 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -27.6 | 174.8 | -169.8 | 174.5 | -178.6 | -177.3 | 1.5 | 113.4 | T63 | T63-R65 PolarHBondContact O-N 3.06Å; T63-R65 VanDerWaalsContact O-N 3.12Å |
| 66 | Y | 98.1 | Very high | 97.4 | Very high | 90 Ų | 90 | 76.2 Ų | 76.2 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -3.8 | -167.4 | -59.8 | -58 | 0 | 0 | 0 | 115.4 | C61 T63 V64 T68 K69 | C61-Y66 WeakPolarHBondContact CB-O 3.41Å; T63-Y66 CarbonylContact O-C 3.6Å; T63-Y66 PolarHBondContact O-N 3.4Å; T63-Y66 WeakPolarHBondContact OG1-CD2 3.44Å; V64-Y66 VanDerWaalsContact C-N 3.32Å; V64-Y66 PolarHBondContact O-N 2.97Å; Y66-T68 PolarHBondContact O-N 3.06Å; Y66-K69 HydrophobicContact CD1-CD 4.35Å; Y66-K69 WeakPolarHBondContact O-CB 3.49Å; Y66-K69 PolarHBondContact O-N 3.48Å |
| 67 | H | 96.8 | Very high | 97.4 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24 | -177 | 70.4 | 100.8 | 0 | 0 | 0 | 114.2 | R60 C61 T63 V64 K69 | R60-H67 VanDerWaalsContact CD-O 3.3Å; R60-H67 WeakPolarHBondContact CD-O 3.24Å; R60-H67 PolarHBondContact NH1-O 3.31Å; C61-H67 WeakPolarHBondContact O-CA 3.42Å; T63-H67 PolarHBondContact O-N 3.24Å; V64-H67 PolarHBondContact O-CD2 3.39Å; V64-H67 PolarHBondContact O-NE2 3.31Å; H67-K69 PolarHBondContact O-N 3.48Å |
| 68 | T | 95.9 | Very high | 97.4 | Very high | 82 Ų | 82 | 74.3 Ų | 74.3 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.6 | 173.5 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | R60 Y66 | R60-T68 PolarHBondContact NH1-O 3.22Å; Y66-T68 PolarHBondContact O-N 3.06Å |
| 69 | K | 96.5 | Very high | 97.4 | Very high | 104 Ų | 104 | 75.7 Ų | 75.7 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | trans | -89.2 | 144.5 | 178.9 | -58.3 | -174.9 | -178.2 | -175.8 | 0 | 111.6 | C61 Y66 H67 | C61-K69 PolarHBondContact N-O 2.89Å; Y66-K69 HydrophobicContact CD1-CD 4.35Å; Y66-K69 WeakPolarHBondContact O-CB 3.49Å; Y66-K69 PolarHBondContact O-N 3.48Å; H67-K69 PolarHBondContact O-N 3.48Å | ||
| 70 | V | 97.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 74.4 Ų | 74.4 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.6 | 174 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | I58 V59 R60 I157 N159 | I58-V70 HydrophobicContact CB-CG1 4.44Å; I58-V70 HydrophobicContact CG2-CG1 3.22Å; V59-V70 WeakPolarHBondContact O-CA 3.34Å; R60-V70 VanDerWaalsContact CZ-CG2 3.4Å; R60-V70 VanDerWaalsContact NH1-CG2 3.32Å; V70-I157 HydrophobicContact CG1-CG2 3.91Å; V70-N159 WeakPolarHBondContact CA-OD1 3.49Å; V70-N159 VanDerWaalsContact CB-OD1 3.25Å; V70-N159 WeakPolarHBondContact CB-OD1 3.32Å; V70-N159 PolarHBondContact N-OD1 2.87Å; V70-N159 PolarHBondContact O-OD1 3.46Å |
| 71 | R | 96.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 67.3 Ų | 67.3 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 169.6 | -179.8 | 63.4 | 174.1 | -178.3 | 86.6 | -3.2 | 112.1 | V59 | V59-R71 PolarHBondContact N-O 3.37Å; V59-R71 PolarHBondContact O-N 3.28Å |
| 72 | A | 97.6 | Very high | 97.6 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 44% | 0.438 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R56 I157 | R56-A72 HydrophobicContact CB-CB 3.94Å; R56-A72 HydrophobicContact CG-CB 4.41Å; A72-I157 HydrophobicContact CB-CD1 3.99Å |
| 73 | G | 97.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 73.7 Ų | 73.7 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | trans | -84.5 | -174 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R56 P57 | R56-G73 WeakPolarHBondContact CD-O 3.3Å; R56-G73 PolarHBondContact NH1-O 3.28Å; R56-G73 VanDerWaalsContact NH1-O 3.16Å; P57-G73 PolarHBondContact O-N 3.05Å | ||
| 74 | R | 97.6 | Very high | 97.7 | Very high | 149 Ų | 149 | 71.3 Ų | 71.3 | 56% | 0.562 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -75.8 | -48.7 | 172.6 | -174.9 | 178.4 | -176.5 | -130.6 | 10.5 | 111.7 | R56 S97 D99 R101 | R56-R74 WeakPolarHBondContact CD-O 3.24Å; R74-S97 PolarHBondContact O-OG 3.42Å; R74-D99 WeakPolarHBondContact CD-OD2 3.38Å; R74-D99 IonicContact NH1-OD1 3.66Å; R74-D99 PolarHBondContact NH1-OD1 3.08Å; R74-D99 IonicContact NH1-OD2 3.99Å; R74-R101 VanDerWaalsContact NH1-CZ 3.33Å; R74-R101 VanDerWaalsContact NH1-NE 3.19Å |
| 75 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -171.8 | 161.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P57 S97 R102 | P57-G75 WeakPolarHBondContact CG-O 3.36Å; G75-S97 CarbonylContact C-O 3.57Å; G75-S97 WeakPolarHBondContact CA-O 3.33Å; G75-S97 WeakPolarHBondContact CA-OG 3.41Å; G75-R102 PolarHBondContact O-NE 3.46Å; G75-R102 PolarHBondContact O-NH2 2.87Å | ||
| 76 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -62.1 | 144.8 | 176 | -70.1 | -89.6 | 0 | 0 | 0 | 110.7 | I55 P57 E80 L81 I96 S97 D99 N113 R116 L117 | I55-F76 HydrophobicContact CG1-CE2 4.41Å; I55-F76 HydrophobicContact CG1-CZ 4.49Å; I55-F76 HydrophobicContact CG2-CE2 4.01Å; P57-F76 HydrophobicContact CB-CD1 3.83Å; P57-F76 HydrophobicContact CB-CD2 4.38Å; P57-F76 HydrophobicContact CB-CE1 3.79Å; P57-F76 HydrophobicContact CB-CE2 4.34Å; P57-F76 HydrophobicContact CB-CG 4.14Å; P57-F76 HydrophobicContact CB-CZ 4.06Å; F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 VanDerWaalsContact CD1-OE2 3.31Å; F76-E80 WeakPolarHBondContact CD1-OE2 3.34Å; F76-L81 HydrophobicContact CB-CD2 4.27Å; F76-L81 HydrophobicContact CB-CG 4.21Å; F76-I96 HydrophobicContact CD2-CG2 3.55Å; F76-I96 HydrophobicContact CE2-CG2 4.06Å; F76-I96 HydrophobicContact CG-CG2 4.27Å; F76-S97 WeakPolarHBondContact CD2-O 3.4Å; F76-S97 PolarHBondContact N-O 3.05Å; F76-D99 PolarHBondContact O-N 2.86Å; F76-N113 HydrophobicContact CD1-CB 4.23Å; F76-N113 HydrophobicContact CE1-CB 4.09Å; F76-R116 HydrophobicContact CZ-CG 4.31Å; F76-L117 HydrophobicContact CD1-CD1 3.69Å; F76-L117 HydrophobicContact CD1-CD2 3.73Å; F76-L117 HydrophobicContact CD1-CG 3.64Å; F76-L117 HydrophobicContact CD2-CD2 3.92Å; F76-L117 HydrophobicContact CE1-CD1 4.1Å; F76-L117 HydrophobicContact CE1-CD2 3.69Å; F76-L117 HydrophobicContact CE1-CG 3.54Å; F76-L117 HydrophobicContact CE2-CD2 3.89Å; F76-L117 HydrophobicContact CG-CD1 4.23Å; F76-L117 HydrophobicContact CG-CD2 3.85Å; F76-L117 HydrophobicContact CG-CG 4.25Å; F76-L117 HydrophobicContact CZ-CD2 3.76Å; F76-L117 HydrophobicContact CZ-CG 4.06Å |
| 77 | S | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -77.1 | 162.8 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 110.5 | E79 E80 L81 R102 N104 | S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.37Å; S77-E80 PolarHBondContact N-OE2 3.01Å; S77-E80 VanDerWaalsContact OG-CG 3.26Å; S77-E80 WeakPolarHBondContact OG-CG 3.45Å; S77-E80 PolarHBondContact OG-N 2.97Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.05Å; S77-R102 WeakPolarHBondContact CB-O 3.14Å; S77-N104 WeakPolarHBondContact CB-OD1 3.41Å; S77-N104 PolarHBondContact OG-ND2 3.35Å; S77-N104 PolarHBondContact OG-OD1 3.18Å | ||
| 78 | L | 98.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 178.1 | -64.6 | 178.3 | 0 | 0 | 0 | 112.1 | L81 R82 K88 V98 P100 | L78-L81 PolarHBondContact O-N 3.09Å; L78-R82 WeakPolarHBondContact O-CB 3.37Å; L78-R82 PolarHBondContact O-N 3.38Å; L78-K88 HydrophobicContact CD2-CB 4.07Å; L78-K88 HydrophobicContact CD2-CD 4.03Å; L78-V98 HydrophobicContact CD2-CG1 4.19Å; L78-P100 HydrophobicContact CD1-CB 4.08Å; L78-P100 HydrophobicContact CD2-CB 4.47Å; L78-P100 HydrophobicContact CG-CB 4.28Å |
| 79 | E | 98 | Very high | 97.7 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68 | -45.8 | 178.9 | -169.7 | 179.4 | 175.2 | 0 | 0 | 111.7 | S77 L81 R82 V83 L110 | S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.37Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.43Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.91Å; E79-V83 WeakPolarHBondContact O-CG2 3.26Å; E79-V83 PolarHBondContact O-N 3.49Å; E79-L110 HydrophobicContact CG-CD1 4.26Å |
| 80 | E | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 174.4 | -74 | 161.3 | -172.8 | 0 | 0 | 112.2 | F76 S77 V83 A84 R102 N104 L110 N113 V114 L117 | F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 VanDerWaalsContact CD1-OE2 3.31Å; F76-E80 WeakPolarHBondContact CD1-OE2 3.34Å; S77-E80 PolarHBondContact N-OE2 3.01Å; S77-E80 VanDerWaalsContact OG-CG 3.26Å; S77-E80 WeakPolarHBondContact OG-CG 3.45Å; S77-E80 PolarHBondContact OG-N 2.97Å; E80-V83 PolarHBondContact O-N 2.94Å; E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 2.98Å; E80-R102 IonicContact OE1-CZ 2.71Å; E80-R102 IonicContact OE1-NH1 3.64Å; E80-R102 PolarHBondContact OE1-NH1 3Å; E80-R102 IonicContact OE1-NH2 3.53Å; E80-R102 PolarHBondContact OE1-NH2 3.1Å; E80-R102 IonicContact OE2-CZ 2.74Å; E80-R102 IonicContact OE2-NH1 3.84Å; E80-R102 IonicContact OE2-NH2 2.66Å; E80-R102 PolarHBondContact OE2-NH2 2.86Å; E80-N104 WeakPolarHBondContact CG-ND2 3.38Å; E80-N104 PolarHBondContact OE1-ND2 3.11Å; E80-L110 HydrophobicContact CB-CD1 4.3Å; E80-L110 HydrophobicContact CG-CD1 3.58Å; E80-N113 VanDerWaalsContact CD-CB 3.41Å; E80-N113 HydrophobicContact CG-CB 3.94Å; E80-N113 WeakPolarHBondContact OE1-CB 3.36Å; E80-N113 PolarHBondContact OE1-ND2 3.08Å; E80-V114 HydrophobicContact CB-CG2 4.44Å; E80-L117 HydrophobicContact CB-CD1 4.21Å |
| 81 | L | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.3 | -70.4 | 172.3 | 0 | 0 | 0 | 111.8 | F76 S77 L78 E79 A84 G85 I86 K88 A91 I96 V98 L117 | F76-L81 HydrophobicContact CB-CD2 4.27Å; F76-L81 HydrophobicContact CB-CG 4.21Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.05Å; L78-L81 PolarHBondContact O-N 3.09Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.43Å; L81-A84 CarbonylContact O-C 3.59Å; L81-A84 PolarHBondContact O-N 3.35Å; L81-G85 PolarHBondContact O-N 3.24Å; L81-G85 VanDerWaalsContact O-N 3.09Å; L81-I86 HydrophobicContact CD2-CB 4.18Å; L81-I86 HydrophobicContact CD2-CG2 4.34Å; L81-I86 PolarHBondContact O-N 3.43Å; L81-K88 HydrophobicContact CD1-CB 4.5Å; L81-A91 HydrophobicContact CD1-CB 4.33Å; L81-A91 HydrophobicContact CD2-CB 4.04Å; L81-I96 HydrophobicContact CD2-CG2 4.17Å; L81-V98 HydrophobicContact CD1-CB 4.31Å; L81-V98 HydrophobicContact CD1-CG1 3.72Å; L81-V98 HydrophobicContact CD1-CG2 3.74Å; L81-L117 HydrophobicContact CD2-CD1 3.98Å; L81-L117 HydrophobicContact CD2-CD2 4.28Å |
| 82 | R | 97.9 | Very high | 97.7 | Very high | 197 Ų | 197 | 65.4 Ų | 65.4 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 175.7 | -173.9 | -174.2 | -65.2 | 149.7 | -4.4 | 110.9 | L78 E79 A84 G85 | L78-R82 WeakPolarHBondContact O-CB 3.37Å; L78-R82 PolarHBondContact O-N 3.38Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.91Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.49Å; R82-G85 PolarHBondContact O-N 3.34Å |
| 83 | V | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 47% | 0.473 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 178.9 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | E79 E80 G85 V114 | E79-V83 WeakPolarHBondContact O-CG2 3.26Å; E79-V83 PolarHBondContact O-N 3.49Å; E80-V83 PolarHBondContact O-N 2.94Å; V83-G85 PolarHBondContact O-N 3.18Å; V83-V114 HydrophobicContact CB-CG2 3.87Å; V83-V114 HydrophobicContact CG1-CG1 4.01Å; V83-V114 HydrophobicContact CG1-CG2 3.78Å |
| 84 | A | 97.9 | Very high | 97.6 | Very high | 22 Ų | 22 | 68.4 Ų | 68.4 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | E80 L81 R82 I86 V114 L117 | E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 2.98Å; L81-A84 CarbonylContact O-C 3.59Å; L81-A84 PolarHBondContact O-N 3.35Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.49Å; A84-I86 HydrophobicContact CB-CD1 4.28Å; A84-I86 HydrophobicContact CB-CG1 4.24Å; A84-V114 HydrophobicContact CB-CG1 4.45Å; A84-L117 HydrophobicContact CB-CB 3.95Å; A84-L117 HydrophobicContact CB-CD1 3.74Å |
| 85 | G | 97.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 25.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L81 R82 V83 | L81-G85 PolarHBondContact O-N 3.24Å; L81-G85 VanDerWaalsContact O-N 3.09Å; R82-G85 PolarHBondContact O-N 3.34Å; V83-G85 PolarHBondContact O-N 3.18Å |
| 86 | I | 97.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | trans | -111.2 | 120.3 | -176.4 | -53 | 178.5 | 0 | 0 | 0 | 110.1 | L81 A84 A91 I94 I96 L117 | L81-I86 HydrophobicContact CD2-CB 4.18Å; L81-I86 HydrophobicContact CD2-CG2 4.34Å; L81-I86 PolarHBondContact O-N 3.43Å; A84-I86 HydrophobicContact CB-CD1 4.28Å; A84-I86 HydrophobicContact CB-CG1 4.24Å; I86-A91 HydrophobicContact CG2-CB 3.82Å; I86-I94 HydrophobicContact CG2-CD1 4.4Å; I86-I96 HydrophobicContact CD1-CD1 3.79Å; I86-I96 HydrophobicContact CG2-CD1 4.41Å; I86-L117 HydrophobicContact CD1-CB 4.39Å; I86-L117 HydrophobicContact CD1-CD2 4.42Å | ||
| 87 | H | 97.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 63 Ų | 63 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | trans | -68.7 | 134.9 | 175.8 | -175 | -108.3 | 0 | 0 | 0 | 111.9 | K89 V90 A91 | H87-K89 VanDerWaalsContact C-N 3.26Å; H87-K89 PolarHBondContact ND1-N 3.44Å; H87-K89 PolarHBondContact O-N 2.89Å; H87-K89 VanDerWaalsContact O-N 3.1Å; H87-V90 HydrophobicContact CB-CB 4.37Å; H87-V90 HydrophobicContact CB-CG2 4.14Å; H87-V90 PolarHBondContact O-N 3.32Å; H87-A91 PolarHBondContact O-N 3.19Å | ||
| 88 | K | 97 | Very high | 97.5 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.4 | -33.9 | -174.1 | 65.1 | -177.1 | 175.6 | -175.6 | 0 | 115.1 | L78 L81 | L78-K88 HydrophobicContact CD2-CB 4.07Å; L78-K88 HydrophobicContact CD2-CD 4.03Å; L81-K88 HydrophobicContact CD1-CB 4.5Å |
| 89 | K | 97.4 | Very high | 97.5 | Very high | 158 Ų | 158 | 61.3 Ų | 61.3 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -75.7 | -40.7 | 177.8 | -64.9 | -174.2 | 179.9 | 178.6 | 0 | 111.2 | H87 R92 | H87-K89 VanDerWaalsContact C-N 3.26Å; H87-K89 PolarHBondContact ND1-N 3.44Å; H87-K89 PolarHBondContact O-N 2.89Å; H87-K89 VanDerWaalsContact O-N 3.1Å; K89-R92 PolarHBondContact O-N 3.34Å |
| 90 | V | 96.7 | Very high | 97.5 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | H87 R92 T93 I94 | H87-V90 HydrophobicContact CB-CB 4.37Å; H87-V90 HydrophobicContact CB-CG2 4.14Å; H87-V90 PolarHBondContact O-N 3.32Å; V90-R92 VanDerWaalsContact C-N 3.26Å; V90-R92 PolarHBondContact O-N 3.22Å; V90-T93 WeakPolarHBondContact CA-OG1 3.4Å; V90-T93 PolarHBondContact O-N 3.21Å; V90-T93 PolarHBondContact O-OG1 3.03Å; V90-I94 HydrophobicContact CG1-CG2 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.25Å |
| 91 | A | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50.1 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L81 I86 H87 T93 I94 G95 I96 V98 | L81-A91 HydrophobicContact CD1-CB 4.33Å; L81-A91 HydrophobicContact CD2-CB 4.04Å; I86-A91 HydrophobicContact CG2-CB 3.82Å; H87-A91 PolarHBondContact O-N 3.19Å; A91-T93 PolarHBondContact O-N 2.89Å; A91-I94 WeakPolarHBondContact O-CG1 3.31Å; A91-I94 PolarHBondContact O-N 2.96Å; A91-G95 PolarHBondContact O-N 3.17Å; A91-I96 CarbonylContact C-O 3.5Å; A91-I96 HydrophobicContact CB-CB 4.02Å; A91-I96 HydrophobicContact CB-CG2 4.26Å; A91-I96 WeakPolarHBondContact O-CA 3.48Å; A91-I96 VanDerWaalsContact O-CB 3.32Å; A91-I96 WeakPolarHBondContact O-CB 3.42Å; A91-I96 PolarHBondContact O-N 3.45Å; A91-V98 HydrophobicContact CB-CG2 3.79Å |
| 92 | R | 96.6 | Very high | 97.4 | Very high | 176 Ų | 176 | 71.9 Ų | 71.9 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.7 | -33 | -178.9 | -168.3 | 173.2 | -77.7 | 172.1 | -3.9 | 112.5 | K89 V90 | K89-R92 PolarHBondContact O-N 3.34Å; V90-R92 VanDerWaalsContact C-N 3.26Å; V90-R92 PolarHBondContact O-N 3.22Å |
| 93 | T | 96.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 72.9 Ų | 72.9 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.4 | -31.7 | 177.6 | 59 | 0 | 0 | 0 | 0 | 112.6 | V90 A91 | V90-T93 WeakPolarHBondContact CA-OG1 3.4Å; V90-T93 PolarHBondContact O-N 3.21Å; V90-T93 PolarHBondContact O-OG1 3.03Å; A91-T93 PolarHBondContact O-N 2.89Å |
| 94 | I | 95.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 10.5 | 179 | 68.9 | 179.6 | 0 | 0 | 0 | 113.8 | I86 V90 A91 I96 Y120 L124 L126 | I86-I94 HydrophobicContact CG2-CD1 4.4Å; V90-I94 HydrophobicContact CG1-CG2 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.25Å; A91-I94 WeakPolarHBondContact O-CG1 3.31Å; A91-I94 PolarHBondContact O-N 2.96Å; I94-I96 HydrophobicContact CD1-CD1 3.68Å; I94-I96 HydrophobicContact CD1-CG1 4.44Å; I94-I96 HydrophobicContact CG1-CD1 3.86Å; I94-I96 HydrophobicContact CG1-CG1 4.09Å; I94-Y120 PolarHBondContact O-OH 3.45Å; I94-Y120 VanDerWaalsContact O-OH 3.11Å; I94-L124 HydrophobicContact CB-CD2 3.99Å; I94-L124 HydrophobicContact CD1-CD2 4.38Å; I94-L126 HydrophobicContact CG2-CD1 4.49Å |
| 95 | G | 96 | Very high | 97.1 | Very high | 22 Ų | 22 | 79.4 Ų | 79.4 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 25.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P54 I55 A91 | P54-G95 CarbonylContact C-O 3.39Å; P54-G95 WeakPolarHBondContact CA-O 3.43Å; P54-G95 WeakPolarHBondContact CB-O 3.45Å; I55-G95 PolarHBondContact N-O 3.37Å; A91-G95 PolarHBondContact O-N 3.17Å |
| 96 | I | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 127.8 | 172.1 | -58.3 | 169.7 | 0 | 0 | 0 | 109.3 | I55 F76 L81 I86 A91 I94 L117 Y120 | I55-I96 HydrophobicContact CG2-CB 4.44Å; I55-I96 HydrophobicContact CG2-CG1 4.07Å; F76-I96 HydrophobicContact CD2-CG2 3.55Å; F76-I96 HydrophobicContact CE2-CG2 4.06Å; F76-I96 HydrophobicContact CG-CG2 4.27Å; L81-I96 HydrophobicContact CD2-CG2 4.17Å; I86-I96 HydrophobicContact CD1-CD1 3.79Å; I86-I96 HydrophobicContact CG2-CD1 4.41Å; A91-I96 CarbonylContact C-O 3.5Å; A91-I96 HydrophobicContact CB-CB 4.02Å; A91-I96 HydrophobicContact CB-CG2 4.26Å; A91-I96 WeakPolarHBondContact O-CA 3.48Å; A91-I96 VanDerWaalsContact O-CB 3.32Å; A91-I96 WeakPolarHBondContact O-CB 3.42Å; A91-I96 PolarHBondContact O-N 3.45Å; I94-I96 HydrophobicContact CD1-CD1 3.68Å; I94-I96 HydrophobicContact CD1-CG1 4.44Å; I94-I96 HydrophobicContact CG1-CD1 3.86Å; I94-I96 HydrophobicContact CG1-CG1 4.09Å; I96-L117 HydrophobicContact CD1-CD2 4.04Å; I96-L117 HydrophobicContact CG1-CD2 4.49Å; I96-L117 HydrophobicContact CG2-CD2 3.73Å; I96-Y120 HydrophobicContact CD1-CD1 3.99Å; I96-Y120 HydrophobicContact CD1-CE1 4.06Å; I96-Y120 HydrophobicContact CG1-CD1 3.77Å; I96-Y120 HydrophobicContact CG1-CE1 3.5Å |
| 97 | S | 98.2 | Very high | 97.1 | Very high | 12 Ų | 12 | 82.4 Ų | 82.4 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | trans | -78.2 | 136.4 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 111 | I55 R56 R74 G75 F76 | I55-S97 WeakPolarHBondContact O-CB 3.4Å; I55-S97 PolarHBondContact O-N 3.34Å; I55-S97 PolarHBondContact O-OG 3.45Å; R56-S97 VanDerWaalsContact CD-OG 3.3Å; R56-S97 WeakPolarHBondContact CD-OG 3.46Å; R74-S97 PolarHBondContact O-OG 3.42Å; G75-S97 CarbonylContact C-O 3.57Å; G75-S97 WeakPolarHBondContact CA-O 3.33Å; G75-S97 WeakPolarHBondContact CA-OG 3.41Å; F76-S97 WeakPolarHBondContact CD2-O 3.4Å; F76-S97 PolarHBondContact N-O 3.05Å | ||
| 98 | V | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 83.7 Ų | 83.7 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -124.1 | 130 | -176.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L78 L81 A91 | L78-V98 HydrophobicContact CD2-CG1 4.19Å; L81-V98 HydrophobicContact CD1-CB 4.31Å; L81-V98 HydrophobicContact CD1-CG1 3.72Å; L81-V98 HydrophobicContact CD1-CG2 3.74Å; A91-V98 HydrophobicContact CB-CG2 3.79Å |
| 99 | D | 98.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 80.2 Ų | 80.2 | 6% | 0.064 | 39% | 0.389 | C | S | . | . | trans | -124 | 100.4 | 172.9 | -169.6 | 10.7 | 0 | 0 | 0 | 110.3 | R74 F76 R101 R102 | R74-D99 WeakPolarHBondContact CD-OD2 3.38Å; R74-D99 IonicContact NH1-OD1 3.66Å; R74-D99 PolarHBondContact NH1-OD1 3.08Å; R74-D99 IonicContact NH1-OD2 3.99Å; F76-D99 PolarHBondContact O-N 2.86Å; D99-R101 PolarHBondContact O-N 2.95Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 IonicContact OD1-CZ 3.32Å; D99-R101 PolarHBondContact OD1-N 2.87Å; D99-R101 IonicContact OD1-NE 3.2Å; D99-R101 PolarHBondContact OD1-NE 3.33Å; D99-R101 VanDerWaalsContact OD1-NE 3.08Å; D99-R101 IonicContact OD1-NH2 3.08Å; D99-R101 PolarHBondContact OD1-NH2 3.37Å; D99-R101 IonicContact OD2-CZ 3.06Å; D99-R101 IonicContact OD2-NH2 2.89Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å; D99-R102 PolarHBondContact O-N 3.48Å | ||
| 100 | P | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.8 | -175.9 | 28.3 | -34.9 | 0 | 0 | 0 | 113.8 | L78 | L78-P100 HydrophobicContact CD1-CB 4.08Å; L78-P100 HydrophobicContact CD2-CB 4.47Å; L78-P100 HydrophobicContact CG-CB 4.28Å |
| 101 | R | 97.8 | Very high | 97 | Very high | 167 Ų | 167 | 75.7 Ų | 75.7 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -16.8 | -178.9 | -57.7 | 170.3 | -57.4 | 137.6 | 17.6 | 113.1 | R74 D99 | R74-R101 VanDerWaalsContact NH1-CZ 3.33Å; R74-R101 VanDerWaalsContact NH1-NE 3.19Å; D99-R101 PolarHBondContact O-N 2.95Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 IonicContact OD1-CZ 3.32Å; D99-R101 PolarHBondContact OD1-N 2.87Å; D99-R101 IonicContact OD1-NE 3.2Å; D99-R101 PolarHBondContact OD1-NE 3.33Å; D99-R101 VanDerWaalsContact OD1-NE 3.08Å; D99-R101 IonicContact OD1-NH2 3.08Å; D99-R101 PolarHBondContact OD1-NH2 3.37Å; D99-R101 IonicContact OD2-CZ 3.06Å; D99-R101 IonicContact OD2-NH2 2.89Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å |
| 102 | R | 97 | Very high | 97 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 21% | 0.211 | 38% | 0.384 | C | S | . | . | trans | -78.9 | 133.4 | -176.2 | -172.6 | 166.7 | 66.2 | 91.3 | -13.3 | 110.1 | G75 S77 E80 D99 N104 | G75-R102 PolarHBondContact O-NE 3.46Å; G75-R102 PolarHBondContact O-NH2 2.87Å; S77-R102 WeakPolarHBondContact CB-O 3.14Å; E80-R102 IonicContact OE1-CZ 2.71Å; E80-R102 IonicContact OE1-NH1 3.64Å; E80-R102 PolarHBondContact OE1-NH1 3Å; E80-R102 IonicContact OE1-NH2 3.53Å; E80-R102 PolarHBondContact OE1-NH2 3.1Å; E80-R102 IonicContact OE2-CZ 2.74Å; E80-R102 IonicContact OE2-NH1 3.84Å; E80-R102 IonicContact OE2-NH2 2.66Å; E80-R102 PolarHBondContact OE2-NH2 2.86Å; D99-R102 PolarHBondContact O-N 3.48Å; R102-N104 PolarHBondContact NH1-OD1 3.17Å | ||
| 103 | R | 96.1 | Very high | 97.1 | Very high | 219 Ų | 219 | 69.5 Ų | 69.5 | 83% | 0.826 | 35% | 0.353 | S | S | * | . | trans | -109.4 | 148.8 | 176.4 | -58.8 | -178 | -177.3 | 177.6 | -0.1 | 109.9 | ||||
| 104 | N | 95.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | trans | -101.8 | 130.9 | 173.7 | -67.8 | 18.3 | 0 | 0 | 0 | 108.2 | S77 E80 R102 L110 | S77-N104 WeakPolarHBondContact CB-OD1 3.41Å; S77-N104 PolarHBondContact OG-ND2 3.35Å; S77-N104 PolarHBondContact OG-OD1 3.18Å; E80-N104 WeakPolarHBondContact CG-ND2 3.38Å; E80-N104 PolarHBondContact OE1-ND2 3.11Å; R102-N104 PolarHBondContact NH1-OD1 3.17Å; N104-L110 WeakPolarHBondContact ND2-CD1 3.3Å | ||
| 105 | K | 96.1 | Very high | 97.3 | Very high | 208 Ų | 208 | 68.8 Ų | 68.8 | 90% | 0.904 | 34% | 0.342 | S | S | * | . | trans | -115.5 | -17.4 | 177.7 | -65.8 | -171.9 | 177.5 | -171.2 | 0 | 112.6 | ||||
| 106 | S | 96.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | trans | -126.8 | 137.2 | -177.9 | 74.3 | 0 | 0 | 0 | 0 | 110.1 | E108 S109 L110 | S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 VanDerWaalsContact CB-OE2 3.3Å; S106-E108 WeakPolarHBondContact CB-OE2 3.25Å; S106-S109 PolarHBondContact O-OG 3.03Å; S106-S109 VanDerWaalsContact O-OG 3.06Å; S106-S109 WeakPolarHBondContact OG-CB 3.3Å; S106-S109 PolarHBondContact OG-OG 2.9Å; S106-L110 PolarHBondContact O-N 3.31Å | ||
| 107 | T | 97.6 | Very high | 97.4 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 64% | 0.644 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.9 | -33 | -177.1 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | S109 L110 Q111 | T107-S109 PolarHBondContact O-N 3Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 3.35Å; T107-Q111 WeakPolarHBondContact O-CB 3.35Å; T107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | E | 96.3 | Very high | 97.4 | Very high | 135 Ų | 135 | 73.4 Ų | 73.4 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | -179.4 | -50.5 | 82.9 | 173.9 | 0 | 0 | 111.2 | S106 A112 | S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 VanDerWaalsContact CB-OE2 3.3Å; S106-E108 WeakPolarHBondContact CB-OE2 3.25Å; E108-A112 WeakPolarHBondContact O-CB 3.36Å; E108-A112 PolarHBondContact O-N 2.74Å |
| 109 | S | 96 | Very high | 97.4 | Very high | 40 Ų | 40 | 76 Ų | 76 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.8 | -37.1 | 178.1 | 72 | 0 | 0 | 0 | 0 | 112.1 | S106 T107 N113 | S106-S109 PolarHBondContact O-OG 3.03Å; S106-S109 VanDerWaalsContact O-OG 3.06Å; S106-S109 WeakPolarHBondContact OG-CB 3.3Å; S106-S109 PolarHBondContact OG-OG 2.9Å; T107-S109 PolarHBondContact O-N 3Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 3.49Å |
| 110 | L | 97.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 76.5 Ų | 76.5 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -53.7 | 171.4 | 171.6 | 63.3 | 0 | 0 | 0 | 109.7 | E79 E80 N104 S106 T107 A112 N113 V114 | E79-L110 HydrophobicContact CG-CD1 4.26Å; E80-L110 HydrophobicContact CB-CD1 4.3Å; E80-L110 HydrophobicContact CG-CD1 3.58Å; N104-L110 WeakPolarHBondContact ND2-CD1 3.3Å; S106-L110 PolarHBondContact O-N 3.31Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 3.35Å; L110-A112 PolarHBondContact O-N 2.6Å; L110-N113 PolarHBondContact O-N 2.86Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.48Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.46Å |
| 111 | Q | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 77.6 Ų | 77.6 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | -176.9 | -171.3 | 65.2 | -2.6 | 0 | 0 | 112.6 | T107 N113 V114 Q115 | T107-Q111 WeakPolarHBondContact O-CB 3.35Å; T107-Q111 PolarHBondContact O-N 3.44Å; Q111-N113 VanDerWaalsContact C-N 3.3Å; Q111-N113 PolarHBondContact O-N 2.93Å; Q111-V114 PolarHBondContact O-N 3.46Å; Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.94Å |
| 112 | A | 97.5 | Very high | 97.2 | Very high | 45 Ų | 45 | 74.3 Ų | 74.3 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E108 L110 R116 | E108-A112 WeakPolarHBondContact O-CB 3.36Å; E108-A112 PolarHBondContact O-N 2.74Å; L110-A112 PolarHBondContact O-N 2.6Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 2.82Å |
| 113 | N | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.4 | -35.6 | 178 | -78.1 | -35.8 | 0 | 0 | 0 | 112.9 | I58 F76 E80 S109 L110 Q111 R116 L117 | I58-N113 WeakPolarHBondContact CB-OD1 3.32Å; I58-N113 PolarHBondContact N-OD1 3.26Å; I58-N113 PolarHBondContact O-ND2 3.24Å; I58-N113 VanDerWaalsContact O-ND2 3.12Å; I58-N113 PolarHBondContact O-OD1 2.98Å; F76-N113 HydrophobicContact CD1-CB 4.23Å; F76-N113 HydrophobicContact CE1-CB 4.09Å; E80-N113 VanDerWaalsContact CD-CB 3.41Å; E80-N113 HydrophobicContact CG-CB 3.94Å; E80-N113 WeakPolarHBondContact OE1-CB 3.36Å; E80-N113 PolarHBondContact OE1-ND2 3.08Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 3.49Å; L110-N113 PolarHBondContact O-N 2.86Å; Q111-N113 VanDerWaalsContact C-N 3.3Å; Q111-N113 PolarHBondContact O-N 2.93Å; N113-R116 WeakPolarHBondContact O-CB 3.42Å; N113-R116 PolarHBondContact O-N 3.42Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.38Å |
| 114 | V | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 171.6 | 169 | 0 | 0 | 0 | 0 | 110.2 | E80 V83 A84 L110 Q111 R116 L117 K118 | E80-V114 HydrophobicContact CB-CG2 4.44Å; V83-V114 HydrophobicContact CB-CG2 3.87Å; V83-V114 HydrophobicContact CG1-CG1 4.01Å; V83-V114 HydrophobicContact CG1-CG2 3.78Å; A84-V114 HydrophobicContact CB-CG1 4.45Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.48Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.46Å; Q111-V114 PolarHBondContact O-N 3.46Å; V114-R116 VanDerWaalsContact C-N 3.28Å; V114-R116 PolarHBondContact O-N 3.12Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.06Å; V114-L117 VanDerWaalsContact O-N 3.08Å; V114-K118 HydrophobicContact CG1-CD 4.43Å; V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 3.03Å |
| 115 | Q | 98.2 | Very high | 97.1 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.9 | -175.2 | 59.7 | 17.1 | 0 | 0 | 111.4 | Q111 L117 K118 E119 | Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.94Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 2.93Å; Q115-K118 PolarHBondContact O-N 2.85Å; Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 2.9Å |
| 116 | R | 98.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.1 | -178.8 | 175.7 | -176.6 | 76.8 | 3 | 113.1 | I55 R56 F76 A112 N113 V114 Y120 M155 | I55-R116 HydrophobicContact CD1-CG 4.12Å; R56-R116 PolarHBondContact O-NE 2.95Å; R56-R116 PolarHBondContact O-NH2 2.66Å; F76-R116 HydrophobicContact CZ-CG 4.31Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 2.82Å; N113-R116 WeakPolarHBondContact O-CB 3.42Å; N113-R116 PolarHBondContact O-N 3.42Å; V114-R116 VanDerWaalsContact C-N 3.28Å; V114-R116 PolarHBondContact O-N 3.12Å; R116-Y120 WeakPolarHBondContact O-CB 3.02Å; R116-Y120 PolarHBondContact O-N 3.42Å; R116-M155 HydrophobicContact CG-CE 4.18Å; R116-M155 PolarHBondContact NH1-O 3.23Å; R116-M155 VanDerWaalsContact NH1-O 3.14Å; R116-M155 PolarHBondContact NH2-O 3.48Å |
| 117 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 174.9 | -74.6 | 169.2 | 0 | 0 | 0 | 111.5 | F76 E80 L81 A84 I86 I96 N113 V114 Q115 Y120 R121 | F76-L117 HydrophobicContact CD1-CD1 3.69Å; F76-L117 HydrophobicContact CD1-CD2 3.73Å; F76-L117 HydrophobicContact CD1-CG 3.64Å; F76-L117 HydrophobicContact CD2-CD2 3.92Å; F76-L117 HydrophobicContact CE1-CD1 4.1Å; F76-L117 HydrophobicContact CE1-CD2 3.69Å; F76-L117 HydrophobicContact CE1-CG 3.54Å; F76-L117 HydrophobicContact CE2-CD2 3.89Å; F76-L117 HydrophobicContact CG-CD1 4.23Å; F76-L117 HydrophobicContact CG-CD2 3.85Å; F76-L117 HydrophobicContact CG-CG 4.25Å; F76-L117 HydrophobicContact CZ-CD2 3.76Å; F76-L117 HydrophobicContact CZ-CG 4.06Å; E80-L117 HydrophobicContact CB-CD1 4.21Å; L81-L117 HydrophobicContact CD2-CD1 3.98Å; L81-L117 HydrophobicContact CD2-CD2 4.28Å; A84-L117 HydrophobicContact CB-CB 3.95Å; A84-L117 HydrophobicContact CB-CD1 3.74Å; I86-L117 HydrophobicContact CD1-CB 4.39Å; I86-L117 HydrophobicContact CD1-CD2 4.42Å; I96-L117 HydrophobicContact CD1-CD2 4.04Å; I96-L117 HydrophobicContact CG1-CD2 4.49Å; I96-L117 HydrophobicContact CG2-CD2 3.73Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.38Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.06Å; V114-L117 VanDerWaalsContact O-N 3.08Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 2.93Å; L117-Y120 PolarHBondContact O-N 2.96Å; L117-R121 WeakPolarHBondContact O-CB 3.4Å; L117-R121 PolarHBondContact O-N 3.06Å |
| 118 | K | 98.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.478 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.1 | -69.5 | -178.6 | 177.7 | -175.7 | 0 | 111.6 | V114 Q115 Y120 R121 S122 | V114-K118 HydrophobicContact CG1-CD 4.43Å; V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 3.03Å; Q115-K118 PolarHBondContact O-N 2.85Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.39Å; K118-R121 PolarHBondContact O-N 3.44Å; K118-S122 PolarHBondContact O-N 3.12Å |
| 119 | E | 98 | Very high | 96.8 | Very high | 75 Ų | 75 | 65 Ų | 65 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 176.6 | -169.9 | -167.4 | 164.7 | 0 | 0 | 112.2 | Q115 S122 K123 M155 | Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 2.9Å; E119-S122 PolarHBondContact O-OG 2.78Å; E119-K123 HydrophobicContact CG-CD 4.36Å; E119-K123 WeakPolarHBondContact O-CG 3.43Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 3.81Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å; E119-M155 HydrophobicContact CB-CE 3.98Å; E119-M155 HydrophobicContact CG-CE 3.81Å; E119-M155 WeakPolarHBondContact OE2-CE 3.01Å |
| 120 | Y | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 69.3 Ų | 69.3 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 172.7 | 177.4 | -106.9 | 0 | 0 | 0 | 111.6 | I55 I94 I96 R116 L117 K118 S122 K123 L124 V154 M155 | I55-Y120 HydrophobicContact CB-CD2 4.17Å; I55-Y120 HydrophobicContact CB-CE2 4.22Å; I55-Y120 HydrophobicContact CD1-CD2 3.78Å; I55-Y120 HydrophobicContact CD1-CG 3.93Å; I55-Y120 HydrophobicContact CG2-CD1 3.9Å; I55-Y120 HydrophobicContact CG2-CD2 3.99Å; I55-Y120 HydrophobicContact CG2-CE1 3.94Å; I55-Y120 HydrophobicContact CG2-CE2 4.06Å; I55-Y120 HydrophobicContact CG2-CG 3.9Å; I94-Y120 PolarHBondContact O-OH 3.45Å; I94-Y120 VanDerWaalsContact O-OH 3.11Å; I96-Y120 HydrophobicContact CD1-CD1 3.99Å; I96-Y120 HydrophobicContact CD1-CE1 4.06Å; I96-Y120 HydrophobicContact CG1-CD1 3.77Å; I96-Y120 HydrophobicContact CG1-CE1 3.5Å; R116-Y120 WeakPolarHBondContact O-CB 3.02Å; R116-Y120 PolarHBondContact O-N 3.42Å; L117-Y120 PolarHBondContact O-N 2.96Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.39Å; Y120-S122 VanDerWaalsContact C-N 3.33Å; Y120-S122 PolarHBondContact O-N 3.15Å; Y120-K123 PolarHBondContact O-N 3.07Å; Y120-L124 HydrophobicContact CE1-CD1 4.29Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 2.74Å; Y120-V154 HydrophobicContact CD2-CG1 4.1Å; Y120-V154 HydrophobicContact CE2-CG1 3.87Å; Y120-M155 HydrophobicContact CD2-SD 4.25Å |
| 121 | R | 95.8 | Very high | 96.3 | Very high | 105 Ų | 105 | 73.6 Ų | 73.6 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | -179.1 | -177.2 | 62.5 | -178 | 105 | -6.3 | 112.4 | L117 K118 L124 | L117-R121 WeakPolarHBondContact O-CB 3.4Å; L117-R121 PolarHBondContact O-N 3.06Å; K118-R121 PolarHBondContact O-N 3.44Å; R121-L124 PolarHBondContact O-N 3.5Å |
| 122 | S | 95.7 | Very high | 96.1 | Very high | 98 Ų | 98 | 73.2 Ų | 73.2 | 69% | 0.685 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71.2 | -30.3 | 175.6 | 67.9 | 0 | 0 | 0 | 0 | 113 | K118 E119 Y120 | K118-S122 PolarHBondContact O-N 3.12Å; E119-S122 PolarHBondContact O-OG 2.78Å; Y120-S122 VanDerWaalsContact C-N 3.33Å; Y120-S122 PolarHBondContact O-N 3.15Å |
| 123 | K | 95.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 72.9 Ų | 72.9 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.7 | 176.2 | -68.2 | 174.8 | 177.8 | 176 | 0 | 113.7 | E119 Y120 | E119-K123 HydrophobicContact CG-CD 4.36Å; E119-K123 WeakPolarHBondContact O-CG 3.43Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 3.81Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å; Y120-K123 PolarHBondContact O-N 3.07Å |
| 124 | L | 95.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 76.8 Ų | 76.8 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | trans | -86.8 | 113.3 | -175.4 | -179 | 72.6 | 0 | 0 | 0 | 110.4 | I94 Y120 R121 | I94-L124 HydrophobicContact CB-CD2 3.99Å; I94-L124 HydrophobicContact CD1-CD2 4.38Å; Y120-L124 HydrophobicContact CE1-CD1 4.29Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 2.74Å; R121-L124 PolarHBondContact O-N 3.5Å | ||
| 125 | I | 95.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 84.1 Ų | 84.1 | 30% | 0.303 | 42% | 0.418 | S | S | . | . | trans | -83.2 | 115.8 | 168.8 | -57.9 | 173 | 0 | 0 | 0 | 108.3 | F127 S139 E143 L144 A147 | I125-F127 HydrophobicContact CG2-CD2 4.27Å; I125-F127 HydrophobicContact CG2-CE2 3.93Å; I125-S139 WeakPolarHBondContact CA-OG 3.38Å; I125-S139 WeakPolarHBondContact CG2-OG 3.36Å; I125-E143 HydrophobicContact CG2-CB 4.26Å; I125-L144 HydrophobicContact CG2-CD2 4.09Å; I125-A147 HydrophobicContact CD1-CB 4.1Å; I125-A147 HydrophobicContact CG2-CB 4.3Å | ||
| 126 | L | 95.5 | Very high | 95 | Very high | 53 Ų | 53 | 89.6 Ų | 89.6 | 28% | 0.277 | 44% | 0.441 | S | S | . | . | trans | -103.1 | 115.7 | -178.3 | -172.7 | 64.1 | 0 | 0 | 0 | 110.4 | I94 S139 | I94-L126 HydrophobicContact CG2-CD1 4.49Å; L126-S139 PolarHBondContact N-OG 3.06Å; L126-S139 WeakPolarHBondContact O-CB 3.48Å; L126-S139 PolarHBondContact O-N 2.8Å | ||
| 127 | F | 94.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 90.7 Ų | 90.7 | 39% | 0.386 | 46% | 0.458 | S | S | . | . | trans | -76.4 | 136.9 | 179.3 | -81.3 | -118.5 | 0 | 0 | 0 | 111 | P48 I125 L144 A147 | P48-F127 HydrophobicContact CB-CZ 4.46Å; P48-F127 HydrophobicContact CG-CD2 4.24Å; P48-F127 HydrophobicContact CG-CE1 4.31Å; P48-F127 HydrophobicContact CG-CE2 3.84Å; P48-F127 HydrophobicContact CG-CZ 3.88Å; I125-F127 HydrophobicContact CG2-CD2 4.27Å; I125-F127 HydrophobicContact CG2-CE2 3.93Å; F127-L144 HydrophobicContact CB-CD2 4.35Å; F127-L144 HydrophobicContact CD1-CD2 3.74Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CE1-CB 4.43Å; F127-L144 HydrophobicContact CE1-CD2 3.78Å; F127-L144 HydrophobicContact CE2-CD2 3.61Å; F127-L144 HydrophobicContact CG-CD2 3.63Å; F127-L144 HydrophobicContact CZ-CB 4.34Å; F127-L144 HydrophobicContact CZ-CD2 3.71Å; F127-A147 HydrophobicContact CE2-CB 3.66Å; F127-A147 HydrophobicContact CZ-CB 3.64Å | ||
| 128 | P | 95.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 92.7 Ų | 92.7 | 11% | 0.11 | 47% | 0.469 | C | S | . | . | trans | -62.6 | 144.3 | 173.4 | 27.5 | -34.7 | 0 | 0 | 0 | 110.7 | K130 P134 D138 L144 | P128-K130 VanDerWaalsContact C-N 3.35Å; P128-P134 HydrophobicContact CB-CB 4.22Å; P128-D138 VanDerWaalsContact CA-CG 3.47Å; P128-D138 WeakPolarHBondContact CA-OD2 3.39Å; P128-D138 HydrophobicContact CB-CB 4.14Å; P128-D138 VanDerWaalsContact CB-OD2 3.3Å; P128-D138 WeakPolarHBondContact CB-OD2 3.45Å; P128-L144 HydrophobicContact CG-CD1 4.36Å | ||
| 129 | R | 93.6 | Very high | 93.9 | Very high | 227 Ų | 227 | 88.2 Ų | 88.2 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -66.8 | -38.7 | 177.3 | -69.5 | -70.1 | 177.8 | 155.9 | 1.7 | 112.2 | ||
| 130 | K | 94 | Very high | 93.6 | Very high | 132 Ų | 132 | 87.4 Ų | 87.4 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -115.5 | 111.6 | 174.3 | -174 | 171.3 | 179.8 | 178.1 | 0 | 107.7 | P128 S132 A133 | P128-K130 VanDerWaalsContact C-N 3.35Å; K130-S132 VanDerWaalsContact CE-OG 3.26Å; K130-S132 WeakPolarHBondContact CE-OG 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å; K130-A133 HydrophobicContact CD-CB 4.25Å; K130-A133 HydrophobicContact CG-CB 4.42Å; K130-A133 CarbonylContact O-C 3.57Å; K130-A133 PolarHBondContact O-N 2.84Å |
| 131 | P | 90.4 | Very high | 93.2 | Very high | 115 Ų | 115 | 89.7 Ų | 89.7 | 75% | 0.747 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32 | -175.8 | -27.3 | 35.2 | 0 | 0 | 0 | 114 | ||
| 132 | S | 93.1 | Very high | 93 | Very high | 100 Ų | 100 | 92 Ų | 92 | 70% | 0.699 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.9 | 178.9 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | K130 | K130-S132 VanDerWaalsContact CE-OG 3.26Å; K130-S132 WeakPolarHBondContact CE-OG 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å |
| 133 | A | 92.7 | Very high | 92.8 | Very high | 38 Ų | 38 | 91.4 Ų | 91.4 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -140.6 | 73.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | K130 | K130-A133 HydrophobicContact CD-CB 4.25Å; K130-A133 HydrophobicContact CG-CB 4.42Å; K130-A133 CarbonylContact O-C 3.57Å; K130-A133 PolarHBondContact O-N 2.84Å |
| 134 | P | 93.7 | Very high | 92.6 | Very high | 83 Ų | 83 | 87.4 Ų | 87.4 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | trans | -57.7 | 146.3 | 175.2 | -21.4 | 33.4 | 0 | 0 | 0 | 112.2 | P128 | P128-P134 HydrophobicContact CB-CB 4.22Š| ||
| 135 | K | 93.9 | Very high | 92.5 | Very high | 155 Ų | 155 | 94.6 Ų | 94.6 | 67% | 0.674 | 49% | 0.493 | S | S | * | . | trans | -113.8 | 167.4 | -179.7 | -62.1 | -61.3 | -177.4 | -176.7 | 0 | 111.1 | G137 D138 | K135-G137 PolarHBondContact O-N 3.04Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.3Å; K135-D138 PolarHBondContact O-N 3.22Å; K135-D138 VanDerWaalsContact O-N 3.11Å | ||
| 136 | K | 89 | Confident | 92.3 | Very high | 222 Ų | 222 | 97.9 Ų | 97.9 | 97% | 0.965 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 120.1 | 176.2 | -173.1 | 175.6 | -178.7 | 175.2 | 0 | 110.2 | ||
| 137 | G | 85.7 | Confident | 92.1 | Very high | 43 Ų | 43 | 96.6 Ų | 96.6 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | -3.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | K135 | K135-G137 PolarHBondContact O-N 3.04Š|
| 138 | D | 92.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 98.2 Ų | 98.2 | 23% | 0.225 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 156.4 | 165.3 | -63.4 | -34.4 | 0 | 0 | 0 | 110.6 | P128 K135 | P128-D138 VanDerWaalsContact CA-CG 3.47Å; P128-D138 WeakPolarHBondContact CA-OD2 3.39Å; P128-D138 HydrophobicContact CB-CB 4.14Å; P128-D138 VanDerWaalsContact CB-OD2 3.3Å; P128-D138 WeakPolarHBondContact CB-OD2 3.45Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.3Å; K135-D138 PolarHBondContact O-N 3.22Å; K135-D138 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 93.3 | Very high | 92 | Very high | 17 Ų | 17 | 100.5 Ų | 100.5 | 12% | 0.119 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 155.9 | 178.1 | -82.5 | 0 | 0 | 0 | 0 | 112.8 | I125 L126 E143 | I125-S139 WeakPolarHBondContact CA-OG 3.38Å; I125-S139 WeakPolarHBondContact CG2-OG 3.36Å; L126-S139 PolarHBondContact N-OG 3.06Å; L126-S139 WeakPolarHBondContact O-CB 3.48Å; L126-S139 PolarHBondContact O-N 2.8Å; S139-E143 WeakPolarHBondContact CA-OE2 3.41Å; S139-E143 WeakPolarHBondContact CB-OE2 3.46Å; S139-E143 PolarHBondContact OG-OE2 2.89Å |
| 140 | S | 92.1 | Very high | 92 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 156.9 | 176.8 | 74 | 0 | 0 | 0 | 0 | 111.7 | E142 E143 L144 | S140-E142 PolarHBondContact O-N 3.06Å; S140-E142 VanDerWaalsContact O-N 3.15Å; S140-E143 PolarHBondContact O-N 3.11Å; S140-E143 VanDerWaalsContact O-N 3.13Å; S140-E143 WeakPolarHBondContact OG-CG 3.44Å; S140-E143 PolarHBondContact OG-N 3.34Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.32Å; S140-L144 VanDerWaalsContact O-N 3.07Å |
| 141 | A | 90.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 93.3 Ų | 93.3 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -29.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K145 | A141-K145 PolarHBondContact O-N 2.86Å |
| 142 | E | 91.6 | Very high | 91.9 | Very high | 154 Ų | 154 | 89.8 Ų | 89.8 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.1 | -46.2 | 175.8 | -62.7 | 177.2 | 175.4 | 0 | 0 | 111.6 | S140 L144 K145 L146 | S140-E142 PolarHBondContact O-N 3.06Å; S140-E142 VanDerWaalsContact O-N 3.15Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.17Å; E142-L146 PolarHBondContact O-N 2.7Å |
| 143 | E | 90.6 | Very high | 91.9 | Very high | 86 Ų | 86 | 88.5 Ų | 88.5 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 175.2 | -71.8 | 178.9 | 176.3 | 0 | 0 | 111.9 | I125 S139 S140 K145 L146 A147 | I125-E143 HydrophobicContact CG2-CB 4.26Å; S139-E143 WeakPolarHBondContact CA-OE2 3.41Å; S139-E143 WeakPolarHBondContact CB-OE2 3.46Å; S139-E143 PolarHBondContact OG-OE2 2.89Å; S140-E143 PolarHBondContact O-N 3.11Å; S140-E143 VanDerWaalsContact O-N 3.13Å; S140-E143 WeakPolarHBondContact OG-CG 3.44Å; S140-E143 PolarHBondContact OG-N 3.34Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.07Å; E143-L146 PolarHBondContact O-N 2.63Å; E143-A147 PolarHBondContact O-N 3.43Å |
| 144 | L | 92.2 | Very high | 91.9 | Very high | 45 Ų | 45 | 87.7 Ų | 87.7 | 24% | 0.236 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | 177.8 | -63.3 | 178.8 | 0 | 0 | 0 | 112.2 | I125 F127 P128 S140 E142 A147 | I125-L144 HydrophobicContact CG2-CD2 4.09Å; F127-L144 HydrophobicContact CB-CD2 4.35Å; F127-L144 HydrophobicContact CD1-CD2 3.74Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CE1-CB 4.43Å; F127-L144 HydrophobicContact CE1-CD2 3.78Å; F127-L144 HydrophobicContact CE2-CD2 3.61Å; F127-L144 HydrophobicContact CG-CD2 3.63Å; F127-L144 HydrophobicContact CZ-CB 4.34Å; F127-L144 HydrophobicContact CZ-CD2 3.71Å; P128-L144 HydrophobicContact CG-CD1 4.36Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.32Å; S140-L144 VanDerWaalsContact O-N 3.07Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.15Å; L144-A147 WeakPolarHBondContact O-CB 3.26Å; L144-A147 PolarHBondContact O-N 3.35Å |
| 145 | K | 91.7 | Very high | 92 | Very high | 183 Ų | 183 | 85.3 Ų | 85.3 | 80% | 0.796 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.9 | -33.5 | 175.7 | -68.3 | 175.7 | -177.7 | 178.2 | 0 | 112.1 | A141 E142 E143 A147 | A141-K145 PolarHBondContact O-N 2.86Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.17Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.07Å; K145-A147 VanDerWaalsContact C-N 3.27Å; K145-A147 PolarHBondContact O-N 2.71Å |
| 146 | L | 92.5 | Very high | 92 | Very high | 129 Ų | 129 | 85.3 Ų | 85.3 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -76.3 | -13.6 | 176.5 | -65 | 173 | 0 | 0 | 0 | 113.3 | E142 E143 T148 | E142-L146 PolarHBondContact O-N 2.7Å; E143-L146 PolarHBondContact O-N 2.63Å; L146-T148 PolarHBondContact O-N 3.29Å |
| 147 | A | 91.7 | Very high | 92.3 | Very high | 25 Ų | 25 | 76.6 Ų | 76.6 | 21% | 0.207 | 43% | 0.429 | C | S | . | . | trans | -65.1 | 105.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I125 F127 E143 L144 K145 | I125-A147 HydrophobicContact CD1-CB 4.1Å; I125-A147 HydrophobicContact CG2-CB 4.3Å; F127-A147 HydrophobicContact CE2-CB 3.66Å; F127-A147 HydrophobicContact CZ-CB 3.64Å; E143-A147 PolarHBondContact O-N 3.43Å; L144-A147 WeakPolarHBondContact O-CB 3.26Å; L144-A147 PolarHBondContact O-N 3.35Å; K145-A147 VanDerWaalsContact C-N 3.27Å; K145-A147 PolarHBondContact O-N 2.71Å | ||
| 148 | T | 93.2 | Very high | 92.8 | Very high | 122 Ų | 122 | 82.8 Ų | 82.8 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | trans | -113.7 | 152.2 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | L146 L150 | L146-T148 PolarHBondContact O-N 3.29Å; T148-L150 PolarHBondContact O-N 2.95Å | ||
| 149 | Q | 93.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 83.7 Ų | 83.7 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 117.2 | 178.1 | -177.5 | 171.9 | 66.3 | 0 | 0 | 110.5 | A43 R49 T151 | A43-Q149 PolarHBondContact O-NE2 3.35Å; R49-Q149 PolarHBondContact O-NE2 2.81Å; Q149-T151 PolarHBondContact O-N 2.95Å |
| 150 | L | 94 | Very high | 92.8 | Very high | 84 Ų | 84 | 89.2 Ų | 89.2 | 44% | 0.44 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 127.4 | 174.1 | -174.2 | 70.4 | 0 | 0 | 0 | 111.4 | P50 T148 V154 | P50-L150 HydrophobicContact CB-CB 4.35Å; P50-L150 HydrophobicContact CG-CB 4.38Å; T148-L150 PolarHBondContact O-N 2.95Å; L150-V154 HydrophobicContact CD2-CB 4.31Å; L150-V154 HydrophobicContact CD2-CG2 4.06Å |
| 151 | T | 90.5 | Very high | 92.9 | Very high | 125 Ų | 125 | 94.4 Ų | 94.4 | 77% | 0.767 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 139.4 | 171.2 | 56.8 | 0 | 0 | 0 | 0 | 111 | Q149 | Q149-T151 PolarHBondContact O-N 2.95Š|
| 152 | G | 91.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 100.2 Ų | 100.2 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 79.4 | -169.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S52 | S52-G152 WeakPolarHBondContact CB-O 3.36Š|
| 153 | P | 92.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 102.3 Ų | 102.3 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -73.7 | 129.1 | -175.1 | 28.2 | -32.8 | 0 | 0 | 0 | 112 | M155 R156 | P153-M155 PolarHBondContact O-N 2.86Å; P153-R156 HydrophobicContact CG-CB 4.1Å; P153-R156 HydrophobicContact CG-CG 4.04Å |
| 154 | V | 93.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 106.4 Ų | 106.4 | 12% | 0.121 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 122.2 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | P50 I55 Y120 L150 | P50-V154 HydrophobicContact CB-CG2 3.57Å; P50-V154 HydrophobicContact CG-CG2 3.81Å; I55-V154 HydrophobicContact CB-CG1 4.34Å; Y120-V154 HydrophobicContact CD2-CG1 4.1Å; Y120-V154 HydrophobicContact CE2-CG1 3.87Å; L150-V154 HydrophobicContact CD2-CB 4.31Å; L150-V154 HydrophobicContact CD2-CG2 4.06Å |
| 155 | M | 94.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 113.4 Ų | 113.4 | 17% | 0.167 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 48.7 | 65 | -178.8 | -64 | 176.3 | 63.8 | 0 | 0 | 112.8 | I55 R116 E119 Y120 P153 I157 | I55-M155 HydrophobicContact CD1-CB 4.16Å; I55-M155 HydrophobicContact CD1-CG 4.3Å; I55-M155 HydrophobicContact CD1-SD 3.58Å; I55-M155 VanDerWaalsContact CD1-SD 3.58Å; R116-M155 HydrophobicContact CG-CE 4.18Å; R116-M155 PolarHBondContact NH1-O 3.23Å; R116-M155 VanDerWaalsContact NH1-O 3.14Å; R116-M155 PolarHBondContact NH2-O 3.48Å; E119-M155 HydrophobicContact CB-CE 3.98Å; E119-M155 HydrophobicContact CG-CE 3.81Å; E119-M155 WeakPolarHBondContact OE2-CE 3.01Å; Y120-M155 HydrophobicContact CD2-SD 4.25Å; P153-M155 PolarHBondContact O-N 2.86Å; M155-I157 PolarHBondContact O-N 3.14Å |
| 156 | R | 95 | Very high | 94.1 | Very high | 155 Ų | 155 | 110 Ų | 110 | 59% | 0.585 | 56% | 0.562 | S | S | * | * | trans | -49.1 | 123.7 | -176.1 | -170.6 | 174.1 | 77.4 | -169.5 | 4.7 | 112.5 | P153 R158 | P153-R156 HydrophobicContact CG-CB 4.1Å; P153-R156 HydrophobicContact CG-CG 4.04Å; R156-R158 VanDerWaalsContact NH2-CZ 3.32Å; R156-R158 VanDerWaalsContact NH2-NH2 3.17Å | ||
| 157 | I | 95.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 111.8 Ų | 111.8 | 20% | 0.195 | 56% | 0.56 | C | S | . | * | trans | -73.4 | 130.3 | 175.9 | -60.5 | 167.9 | 0 | 0 | 0 | 108.8 | P57 I58 V70 A72 M155 | P57-I157 WeakPolarHBondContact O-CD1 3.36Å; I58-I157 HydrophobicContact CB-CD1 4.49Å; I58-I157 HydrophobicContact CG1-CD1 3.89Å; I58-I157 HydrophobicContact CG1-CG1 3.94Å; I58-I157 HydrophobicContact CG1-CG2 4.34Å; V70-I157 HydrophobicContact CG1-CG2 3.91Å; A72-I157 HydrophobicContact CB-CD1 3.99Å; M155-I157 PolarHBondContact O-N 3.14Å | ||
| 158 | R | 94.8 | Very high | 94.5 | Very high | 173 Ų | 173 | 116.9 Ų | 116.9 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | trans | -123.2 | 148.1 | 176.5 | -59 | -176.4 | -173 | -168 | 2.3 | 109 | R156 V160 | R156-R158 VanDerWaalsContact NH2-CZ 3.32Å; R156-R158 VanDerWaalsContact NH2-NH2 3.17Å; R158-V160 PolarHBondContact O-N 3.2Å | ||
| 159 | N | 93.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 116 Ų | 116 | 33% | 0.332 | 58% | 0.578 | S | S | . | * | trans | -77.1 | 117.6 | 167.7 | -69.8 | -23 | 0 | 0 | 0 | 107.5 | V70 Y161 | V70-N159 WeakPolarHBondContact CA-OD1 3.49Å; V70-N159 VanDerWaalsContact CB-OD1 3.25Å; V70-N159 WeakPolarHBondContact CB-OD1 3.32Å; V70-N159 PolarHBondContact N-OD1 2.87Å; V70-N159 PolarHBondContact O-OD1 3.46Å; N159-Y161 HydrophobicContact CB-CE2 4.14Å | ||
| 160 | V | 93.5 | Very high | 94.9 | Very high | 132 Ų | 132 | 115.8 Ų | 115.8 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | trans | -104.5 | 133.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | R158 | R158-V160 PolarHBondContact O-N 3.2Š| ||
| 161 | Y | 94.2 | Very high | 95.1 | Very high | 166 Ų | 166 | 117.4 Ų | 117.4 | 65% | 0.651 | 59% | 0.586 | S | S | * | * | trans | -112.3 | 128 | 174 | -60.1 | -84.4 | 0 | 0 | 0 | 107.9 | N159 K163 | N159-Y161 HydrophobicContact CB-CE2 4.14Å; Y161-K163 PolarHBondContact O-N 3.25Å | ||
| 162 | K | 95.1 | Very high | 95.4 | Very high | 193 Ų | 193 | 119.2 Ų | 119.2 | 84% | 0.839 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 124.7 | 172 | -174.6 | 179.1 | 179.1 | -176.3 | 0 | 107 | ||
| 163 | K | 95.9 | Very high | 95.6 | Very high | 197 Ų | 197 | 121.5 Ų | 121.5 | 86% | 0.857 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -82 | 116.6 | 170.3 | -65.8 | -175 | 177.2 | -174.8 | 0 | 107.9 | Y161 | Y161-K163 PolarHBondContact O-N 3.25Š|
| 164 | E | 96.1 | Very high | 95.8 | Very high | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 153.6 | 168 | 56.2 | -109.6 | -173.4 | 0 | 0 | 111.5 | ||
| 165 | K | 96.8 | Very high | 96 | Very high | 191 Ų | 191 | 128.7 Ų | 128.7 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 152.6 | 171.8 | -63.3 | -176.7 | -179.8 | -176.7 | 0 | 109.1 | R167 | K165-R167 PolarHBondContact O-N 3.35Š|
| 166 | A | 96.5 | Very high | 96.2 | Very high | 112 Ų | 112 | 133.1 Ų | 133.1 | 93% | 0.926 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 137.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 167 | R | 96.9 | Very high | 96.3 | Very high | 167 Ų | 167 | 133.6 Ų | 133.6 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | trans | -135.1 | 149 | -179.6 | 55.6 | -178.7 | -108.4 | 124 | -6.4 | 109.4 | K165 E173 | K165-R167 PolarHBondContact O-N 3.35Å; R167-E173 IonicContact CZ-OE1 3.76Å; R167-E173 IonicContact NE-OE1 3.93Å; R167-E173 IonicContact NH2-OE1 2.86Å; R167-E173 PolarHBondContact NH2-OE1 3.44Å; R167-E173 IonicContact NH2-OE2 3.22Å; R167-E173 PolarHBondContact NH2-OE2 3.36Å | ||
| 168 | V | 97.1 | Very high | 96.4 | Very high | 132 Ų | 132 | 134.2 Ų | 134.2 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 134.5 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 169 | I | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 133.6 Ų | 133.6 | 53% | 0.533 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 129.5 | -179.9 | -56.1 | 172.7 | 0 | 0 | 0 | 108.7 | E173 K174 | I169-E173 HydrophobicContact CG2-CB 3.85Å; I169-K174 HydrophobicContact CG2-CG 3.75Å |
| 170 | T | 98 | Very high | 96.8 | Very high | 59 Ų | 59 | 132.9 Ų | 132.9 | 36% | 0.362 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 153.7 | 177.5 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | E172 E173 K174 | T170-E172 PolarHBondContact O-N 3.03Å; T170-E173 PolarHBondContact N-OE2 3.18Å; T170-E173 PolarHBondContact O-N 3.38Å; T170-E173 VanDerWaalsContact O-N 3.16Å; T170-E173 VanDerWaalsContact OG1-CD 3.24Å; T170-E173 VanDerWaalsContact OG1-CG 3.23Å; T170-E173 WeakPolarHBondContact OG1-CG 3.03Å; T170-E173 PolarHBondContact OG1-N 2.94Å; T170-E173 PolarHBondContact OG1-OE2 3.05Å; T170-K174 PolarHBondContact O-N 3.48Å; T170-K174 VanDerWaalsContact O-N 3.14Å |
| 171 | E | 97.4 | Very high | 97 | Very high | 118 Ų | 118 | 129.1 Ų | 129.1 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61 | -30.5 | 177 | -67.2 | -54.4 | 131.3 | 0 | 0 | 112.6 | K174 N175 | E171-K174 PolarHBondContact O-N 2.86Å; E171-K174 IonicContact OE1-NZ 2.6Å; E171-K174 PolarHBondContact OE1-NZ 3.2Å; E171-K174 IonicContact OE2-NZ 3.61Å; E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.08Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.04Å; E171-N175 VanDerWaalsContact O-ND2 3.1Å |
| 172 | E | 97.3 | Very high | 97.2 | Very high | 164 Ų | 164 | 126.3 Ų | 126.3 | 77% | 0.766 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.1 | -46.4 | 173.6 | -172 | -174.4 | 173.2 | 0 | 0 | 112 | T170 K174 N175 F176 | T170-E172 PolarHBondContact O-N 3.03Å; E172-K174 VanDerWaalsContact C-N 3.31Å; E172-K174 PolarHBondContact O-N 2.99Å; E172-N175 PolarHBondContact O-N 3.16Å; E172-F176 PolarHBondContact O-N 3.37Å |
| 173 | E | 96.2 | Very high | 97.3 | Very high | 88 Ų | 88 | 124.1 Ų | 124.1 | 41% | 0.411 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -35.6 | 178 | -73.3 | 166.5 | 147.6 | 0 | 0 | 112 | R167 I169 T170 F176 | R167-E173 IonicContact CZ-OE1 3.76Å; R167-E173 IonicContact NE-OE1 3.93Å; R167-E173 IonicContact NH2-OE1 2.86Å; R167-E173 PolarHBondContact NH2-OE1 3.44Å; R167-E173 IonicContact NH2-OE2 3.22Å; R167-E173 PolarHBondContact NH2-OE2 3.36Å; I169-E173 HydrophobicContact CG2-CB 3.85Å; T170-E173 PolarHBondContact N-OE2 3.18Å; T170-E173 PolarHBondContact O-N 3.38Å; T170-E173 VanDerWaalsContact O-N 3.16Å; T170-E173 VanDerWaalsContact OG1-CD 3.24Å; T170-E173 VanDerWaalsContact OG1-CG 3.23Å; T170-E173 WeakPolarHBondContact OG1-CG 3.03Å; T170-E173 PolarHBondContact OG1-N 2.94Å; T170-E173 PolarHBondContact OG1-OE2 3.05Å; E173-F176 PolarHBondContact O-N 3.17Å |
| 174 | K | 96.8 | Very high | 97.5 | Very high | 124 Ų | 124 | 119.8 Ų | 119.8 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -41.1 | 174.7 | -68.6 | -179.9 | -172.6 | 168.3 | 0 | 111.8 | I169 T170 E171 E172 F176 | I169-K174 HydrophobicContact CG2-CG 3.75Å; T170-K174 PolarHBondContact O-N 3.48Å; T170-K174 VanDerWaalsContact O-N 3.14Å; E171-K174 PolarHBondContact O-N 2.86Å; E171-K174 IonicContact OE1-NZ 2.6Å; E171-K174 PolarHBondContact OE1-NZ 3.2Å; E171-K174 IonicContact OE2-NZ 3.61Å; E172-K174 VanDerWaalsContact C-N 3.31Å; E172-K174 PolarHBondContact O-N 2.99Å; K174-F176 VanDerWaalsContact C-N 3.33Å |
| 175 | N | 97.6 | Very high | 97.6 | Very high | 120 Ų | 120 | 114.2 Ų | 114.2 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -82.8 | -8.7 | -177.3 | -69.2 | -33.7 | 0 | 0 | 0 | 113.5 | E171 E172 K177 | E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.08Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.04Å; E171-N175 VanDerWaalsContact O-ND2 3.1Å; E172-N175 PolarHBondContact O-N 3.16Å; N175-K177 PolarHBondContact O-N 3.26Å |
| 176 | F | 97.9 | Very high | 97.6 | Very high | 128 Ų | 128 | 113.3 Ų | 113.3 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | trans | -71 | 113.2 | -178 | -179.1 | -106.7 | 0 | 0 | 0 | 113.1 | E172 E173 K174 A178 | E172-F176 PolarHBondContact O-N 3.37Å; E173-F176 PolarHBondContact O-N 3.17Å; K174-F176 VanDerWaalsContact C-N 3.33Å; F176-A178 HydrophobicContact CD1-CB 4.02Å; F176-A178 HydrophobicContact CE1-CB 3.72Å; F176-A178 PolarHBondContact O-N 2.87Å | ||
| 177 | K | 97.8 | Very high | 97.7 | Very high | 164 Ų | 164 | 109.2 Ų | 109.2 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | trans | -83.6 | 78.3 | 178.9 | -61.6 | 179.6 | -176.3 | 175 | 0 | 112.1 | N175 F179 A180 S181 | N175-K177 PolarHBondContact O-N 3.26Å; K177-F179 PolarHBondContact O-N 2.83Å; K177-A180 HydrophobicContact CB-CB 3.97Å; K177-A180 PolarHBondContact O-N 3.41Å; K177-S181 PolarHBondContact O-N 3.28Å | ||
| 178 | A | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 104.6 Ų | 104.6 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -54.1 | -46.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F176 S181 L182 | F176-A178 HydrophobicContact CD1-CB 4.02Å; F176-A178 HydrophobicContact CE1-CB 3.72Å; F176-A178 PolarHBondContact O-N 2.87Å; A178-S181 PolarHBondContact O-N 3.38Å; A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.47Å |
| 179 | F | 97.9 | Very high | 97.8 | Very high | 160 Ų | 160 | 102.1 Ų | 102.1 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 179.9 | 179.2 | -99.4 | 0 | 0 | 0 | 112.3 | K177 S181 L182 R183 | K177-F179 PolarHBondContact O-N 2.83Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.41Å; F179-L182 PolarHBondContact O-N 3.26Å; F179-R183 HydrophobicContact CD1-CG 4.29Å; F179-R183 HydrophobicContact CE1-CG 3.9Å; F179-R183 HydrophobicContact CE2-CG 4.47Å; F179-R183 HydrophobicContact CZ-CG 4Å; F179-R183 WeakPolarHBondContact O-CG 3.46Å; F179-R183 PolarHBondContact O-N 2.91Å; F179-R183 VanDerWaalsContact O-N 3.08Å |
| 180 | A | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 106.5 Ų | 106.5 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K177 L182 R183 M184 | K177-A180 HydrophobicContact CB-CB 3.97Å; K177-A180 PolarHBondContact O-N 3.41Å; A180-L182 PolarHBondContact O-N 3.36Å; A180-R183 PolarHBondContact O-N 3.11Å; A180-M184 WeakPolarHBondContact O-CB 3.35Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.23Å |
| 181 | S | 98.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 106 Ų | 106 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55.8 | -48.6 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | K177 A178 F179 R183 M184 A185 | K177-S181 PolarHBondContact O-N 3.28Å; A178-S181 PolarHBondContact O-N 3.38Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.41Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.37Å; S181-M184 PolarHBondContact O-N 3.27Å; S181-A185 WeakPolarHBondContact O-CB 3.14Å; S181-A185 PolarHBondContact O-N 3.02Å |
| 182 | L | 98.2 | Very high | 97.9 | Very high | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -40 | 177.8 | -71.1 | 173.5 | 0 | 0 | 0 | 112.6 | A178 F179 A180 R186 | A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.47Å; F179-L182 PolarHBondContact O-N 3.26Å; A180-L182 PolarHBondContact O-N 3.36Å; L182-R186 WeakPolarHBondContact O-CG 3.42Å; L182-R186 PolarHBondContact O-N 3.46Å |
| 183 | R | 98.3 | Very high | 97.9 | Very high | 147 Ų | 147 | 102.2 Ų | 102.2 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | 177 | -67.9 | -66.4 | -64 | -178 | -2.1 | 111.4 | F179 A180 S181 R186 A187 | F179-R183 HydrophobicContact CD1-CG 4.29Å; F179-R183 HydrophobicContact CE1-CG 3.9Å; F179-R183 HydrophobicContact CE2-CG 4.47Å; F179-R183 HydrophobicContact CZ-CG 4Å; F179-R183 WeakPolarHBondContact O-CG 3.46Å; F179-R183 PolarHBondContact O-N 2.91Å; F179-R183 VanDerWaalsContact O-N 3.08Å; A180-R183 PolarHBondContact O-N 3.11Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.37Å; R183-R186 PolarHBondContact O-N 3.03Å; R183-A187 PolarHBondContact O-N 3.46Å |
| 184 | M | 98.4 | Very high | 98 | Very high | 106 Ų | 106 | 102.1 Ų | 102.1 | 52% | 0.522 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 178 | -70.4 | -55.9 | -67.7 | 0 | 0 | 112 | A180 S181 R186 A187 N188 | A180-M184 WeakPolarHBondContact O-CB 3.35Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.23Å; S181-M184 PolarHBondContact O-N 3.27Å; M184-R186 PolarHBondContact O-N 3.2Å; M184-A187 PolarHBondContact O-N 2.96Å; M184-N188 WeakPolarHBondContact O-CB 3.43Å; M184-N188 PolarHBondContact O-N 3.44Å; M184-N188 PolarHBondContact O-ND2 2.88Å |
| 185 | A | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S181 N188 A189 | S181-A185 WeakPolarHBondContact O-CB 3.14Å; S181-A185 PolarHBondContact O-N 3.02Å; A185-N188 PolarHBondContact O-N 3.45Å; A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 3.2Å |
| 186 | R | 98.2 | Very high | 98 | Very high | 172 Ų | 172 | 98.9 Ų | 98.9 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 174.3 | -71 | 177.5 | -174.6 | -175.4 | 4.1 | 112 | L182 R183 M184 R190 | L182-R186 WeakPolarHBondContact O-CG 3.42Å; L182-R186 PolarHBondContact O-N 3.46Å; R183-R186 PolarHBondContact O-N 3.03Å; M184-R186 PolarHBondContact O-N 3.2Å; R186-R190 WeakPolarHBondContact O-CB 3.39Å; R186-R190 PolarHBondContact O-N 2.96Å |
| 187 | A | 98.3 | Very high | 98 | Very high | 26 Ų | 26 | 99.1 Ų | 99.1 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R183 M184 R190 L191 | R183-A187 PolarHBondContact O-N 3.46Å; M184-A187 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.07Å; A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 WeakPolarHBondContact O-CG 3.33Å; A187-L191 PolarHBondContact O-N 3.16Å |
| 188 | N | 98.3 | Very high | 98 | Very high | 69 Ų | 69 | 99.6 Ų | 99.6 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 177 | -70 | -19 | 0 | 0 | 0 | 111.5 | M184 A185 R190 L191 F192 R195 | M184-N188 WeakPolarHBondContact O-CB 3.43Å; M184-N188 PolarHBondContact O-N 3.44Å; M184-N188 PolarHBondContact O-ND2 2.88Å; A185-N188 PolarHBondContact O-N 3.45Å; N188-R190 VanDerWaalsContact C-N 3.29Å; N188-R190 PolarHBondContact O-N 2.98Å; N188-L191 PolarHBondContact O-N 3.39Å; N188-F192 WeakPolarHBondContact O-CB 3.45Å; N188-F192 PolarHBondContact O-N 3.41Å; N188-R195 PolarHBondContact OD1-NH1 3.01Å |
| 189 | A | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 67% | 0.669 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A185 | A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 3.2Å |
| 190 | R | 98 | Very high | 97.9 | Very high | 195 Ų | 195 | 98.9 Ų | 98.9 | 74% | 0.736 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 176.6 | -174.8 | 177 | 68.1 | 173.3 | 3.1 | 112.8 | R186 A187 N188 | R186-R190 WeakPolarHBondContact O-CB 3.39Å; R186-R190 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.07Å; N188-R190 VanDerWaalsContact C-N 3.29Å; N188-R190 PolarHBondContact O-N 2.98Å |
| 191 | L | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 100.4 Ų | 100.4 | 26% | 0.262 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -95.8 | 0.9 | -172.2 | -64.2 | 177.2 | 0 | 0 | 0 | 114.2 | A187 N188 G193 I194 R195 | A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 WeakPolarHBondContact O-CG 3.33Å; A187-L191 PolarHBondContact O-N 3.16Å; N188-L191 PolarHBondContact O-N 3.39Å; L191-G193 PolarHBondContact O-N 3.43Å; L191-I194 HydrophobicContact CD2-CD1 4.09Å; L191-I194 PolarHBondContact O-N 3.44Å; L191-R195 HydrophobicContact CB-CG 4.37Å; L191-R195 WeakPolarHBondContact O-CB 3.46Å; L191-R195 WeakPolarHBondContact O-CG 3.47Å; L191-R195 PolarHBondContact O-N 3.41Å |
| 192 | F | 98.1 | Very high | 97.7 | Very high | 156 Ų | 156 | 99.9 Ų | 99.9 | 68% | 0.684 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53.2 | -54.6 | -176 | 177.8 | -101.1 | 0 | 0 | 0 | 112.5 | N188 I194 R195 A196 | N188-F192 WeakPolarHBondContact O-CB 3.45Å; N188-F192 PolarHBondContact O-N 3.41Å; F192-I194 PolarHBondContact O-N 3Å; F192-R195 PolarHBondContact O-N 3.44Å; F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.38Å |
| 193 | G | 97.6 | Very high | 97.6 | Very high | 46 Ų | 46 | 97.4 Ų | 97.4 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L191 A196 K197 | L191-G193 PolarHBondContact O-N 3.43Å; G193-A196 PolarHBondContact O-N 2.92Å; G193-K197 WeakPolarHBondContact O-CB 3.27Å; G193-K197 PolarHBondContact O-N 2.97Å |
| 194 | I | 97.4 | Very high | 97.4 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 179.1 | -64 | 169.5 | 0 | 0 | 0 | 110.5 | L191 F192 K197 R198 | L191-I194 HydrophobicContact CD2-CD1 4.09Å; L191-I194 PolarHBondContact O-N 3.44Å; F192-I194 PolarHBondContact O-N 3Å; I194-K197 PolarHBondContact O-N 2.9Å; I194-R198 WeakPolarHBondContact O-CG 3.48Å; I194-R198 PolarHBondContact O-N 2.98Å |
| 195 | R | 97.3 | Very high | 97.1 | Very high | 125 Ų | 125 | 95.5 Ų | 95.5 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.8 | -72.7 | 176.2 | 176.6 | 170.1 | -0.4 | 111.4 | N188 L191 F192 R198 A199 | N188-R195 PolarHBondContact OD1-NH1 3.01Å; L191-R195 HydrophobicContact CB-CG 4.37Å; L191-R195 WeakPolarHBondContact O-CB 3.46Å; L191-R195 WeakPolarHBondContact O-CG 3.47Å; L191-R195 PolarHBondContact O-N 3.41Å; F192-R195 PolarHBondContact O-N 3.44Å; R195-R198 PolarHBondContact O-N 3.47Å; R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 2.95Å |
| 196 | A | 97.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | F192 G193 A199 K200 | F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.38Å; G193-A196 PolarHBondContact O-N 2.92Å; A196-A199 PolarHBondContact O-N 3.08Å; A196-K200 PolarHBondContact O-N 3.3Å |
| 197 | K | 97.9 | Very high | 96.4 | Very high | 132 Ų | 132 | 92.9 Ų | 92.9 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -50.6 | 176 | 179.3 | 176.3 | 169.1 | 177 | 0 | 111.8 | G193 I194 A199 K200 E201 | G193-K197 WeakPolarHBondContact O-CB 3.27Å; G193-K197 PolarHBondContact O-N 2.97Å; I194-K197 PolarHBondContact O-N 2.9Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.35Å; K197-K200 WeakPolarHBondContact O-CB 3.43Å; K197-K200 PolarHBondContact O-N 2.74Å; K197-K200 VanDerWaalsContact O-N 3.11Å; K197-E201 WeakPolarHBondContact CE-OE1 3.37Å; K197-E201 HydrophobicContact CG-CG 4.42Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.28Å |
| 198 | R | 97.1 | Very high | 95.8 | Very high | 174 Ų | 174 | 98.4 Ų | 98.4 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 179 | -73.2 | 179.8 | -178.6 | 177.5 | -1.1 | 112.6 | I194 R195 K200 E201 A202 | I194-R198 WeakPolarHBondContact O-CG 3.48Å; I194-R198 PolarHBondContact O-N 2.98Å; R195-R198 PolarHBondContact O-N 3.47Å; R198-K200 VanDerWaalsContact C-N 3.3Å; R198-E201 PolarHBondContact O-N 3.01Å; R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.43Å; R198-A202 PolarHBondContact O-N 3.08Å |
| 199 | A | 97.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 102.7 Ų | 102.7 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R195 A196 K197 A203 | R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 2.95Å; A196-A199 PolarHBondContact O-N 3.08Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.35Å; A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; A199-A203 VanDerWaalsContact O-N 3.08Å |
| 200 | K | 97.3 | Very high | 94.3 | Very high | 135 Ų | 135 | 107.7 Ų | 107.7 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -48.1 | 175.2 | -176.5 | 178.2 | 168.6 | 179.4 | 0 | 112 | A196 K197 R198 A202 A203 E204 | A196-K200 PolarHBondContact O-N 3.3Å; K197-K200 WeakPolarHBondContact O-CB 3.43Å; K197-K200 PolarHBondContact O-N 2.74Å; K197-K200 VanDerWaalsContact O-N 3.11Å; R198-K200 VanDerWaalsContact C-N 3.3Å; K200-A202 VanDerWaalsContact C-N 3.35Å; K200-A202 PolarHBondContact O-N 3.35Å; K200-A203 PolarHBondContact O-N 2.85Å; K200-E204 WeakPolarHBondContact CE-OE1 3.15Å; K200-E204 IonicContact NZ-OE1 2.68Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.22Å |
| 201 | E | 96.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 109.3 Ų | 109.3 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.2 | -71.1 | 172.1 | 158.9 | 0 | 0 | 111.7 | K197 R198 E204 Q205 | K197-E201 WeakPolarHBondContact CE-OE1 3.37Å; K197-E201 HydrophobicContact CG-CG 4.42Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.28Å; R198-E201 PolarHBondContact O-N 3.01Å; E201-E204 PolarHBondContact O-N 3.42Å; E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å |
| 202 | A | 96.1 | Very high | 92.6 | Very high | 43 Ų | 43 | 112.3 Ų | 112.3 | 36% | 0.355 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R198 K200 E204 Q205 D206 | R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.43Å; R198-A202 PolarHBondContact O-N 3.08Å; K200-A202 VanDerWaalsContact C-N 3.35Å; K200-A202 PolarHBondContact O-N 3.35Å; A202-E204 PolarHBondContact O-N 3.35Å; A202-Q205 PolarHBondContact O-N 3.33Å; A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 VanDerWaalsContact O-CG 3.29Å; A202-D206 PolarHBondContact O-N 2.98Å |
| 203 | A | 95.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 109.9 Ų | 109.9 | 44% | 0.438 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A199 K200 D206 V207 | A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; A199-A203 VanDerWaalsContact O-N 3.08Å; K200-A203 PolarHBondContact O-N 2.85Å; A203-D206 PolarHBondContact O-N 3.28Å; A203-V207 VanDerWaalsContact O-CG2 3.27Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.1Å |
| 204 | E | 93.9 | Very high | 92 | Very high | 103 Ų | 103 | 113.5 Ų | 113.5 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 175.1 | -74.3 | 172 | 177.1 | 0 | 0 | 111.6 | K200 E201 A202 D206 V207 E208 | K200-E204 WeakPolarHBondContact CE-OE1 3.15Å; K200-E204 IonicContact NZ-OE1 2.68Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.22Å; E201-E204 PolarHBondContact O-N 3.42Å; A202-E204 PolarHBondContact O-N 3.35Å; E204-D206 PolarHBondContact O-N 2.88Å; E204-V207 PolarHBondContact O-N 3.16Å; E204-E208 PolarHBondContact O-N 3.11Å |
| 205 | Q | 92.9 | Very high | 91.7 | Very high | 111 Ų | 111 | 115.2 Ų | 115.2 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -39 | 174.2 | -72.5 | 177.7 | 1.4 | 0 | 0 | 112.5 | E201 A202 V207 E208 K209 | E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å; A202-Q205 PolarHBondContact O-N 3.33Å; Q205-V207 VanDerWaalsContact C-N 3.29Å; Q205-V207 PolarHBondContact O-N 2.99Å; Q205-E208 PolarHBondContact O-N 3.26Å; Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 VanDerWaalsContact O-CG 3.32Å; Q205-K209 WeakPolarHBondContact O-CG 3.43Å; Q205-K209 PolarHBondContact O-N 3.38Å |
| 206 | D | 92.2 | Very high | 91.4 | Very high | 89 Ų | 89 | 114.6 Ų | 114.6 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69 | -28.8 | 176.5 | -72.8 | -22 | 0 | 0 | 0 | 112.4 | A202 A203 E204 K210 | A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 VanDerWaalsContact O-CG 3.29Å; A202-D206 PolarHBondContact O-N 2.98Å; A203-D206 PolarHBondContact O-N 3.28Å; E204-D206 PolarHBondContact O-N 2.88Å; D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 3.3Å |
| 207 | V | 90.3 | Very high | 90.9 | Very high | 85 Ų | 85 | 118.7 Ų | 118.7 | 52% | 0.515 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.3 | -42.5 | 171.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | A203 E204 Q205 K209 K210 K211 | A203-V207 VanDerWaalsContact O-CG2 3.27Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.1Å; E204-V207 PolarHBondContact O-N 3.16Å; Q205-V207 VanDerWaalsContact C-N 3.29Å; Q205-V207 PolarHBondContact O-N 2.99Å; V207-K209 VanDerWaalsContact C-N 3.35Å; V207-K210 PolarHBondContact O-N 2.94Å; V207-K211 PolarHBondContact O-N 3.31Å |
| 208 | E | 84.6 | Confident | 90.4 | Very high | 142 Ų | 142 | 117.8 Ų | 117.8 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -40.5 | 176.3 | -170.8 | 173.8 | -164 | 0 | 0 | 111.7 | E204 Q205 K210 K211 | E204-E208 PolarHBondContact O-N 3.11Å; Q205-E208 PolarHBondContact O-N 3.26Å; E208-K210 PolarHBondContact O-N 3.34Å; E208-K211 PolarHBondContact O-N 2.73Å |
| 209 | K | 85.3 | Confident | 89.9 | Confident | 158 Ų | 158 | 113.5 Ų | 113.5 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -20.7 | 173.9 | -76.9 | 176.4 | -178.1 | 172.8 | 0 | 114.7 | Q205 V207 | Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 VanDerWaalsContact O-CG 3.32Å; Q205-K209 WeakPolarHBondContact O-CG 3.43Å; Q205-K209 PolarHBondContact O-N 3.38Å; V207-K209 VanDerWaalsContact C-N 3.35Å |
| 210 | K | 79.7 | Confident | 89.3 | Confident | 187 Ų | 187 | 117.7 Ų | 117.7 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -12.6 | 178.6 | -77.6 | 178.7 | -178.7 | -178.8 | 0 | 113.1 | D206 V207 E208 | D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 3.3Å; V207-K210 PolarHBondContact O-N 2.94Å; E208-K210 PolarHBondContact O-N 3.34Å |
| 211 | K | 68.5 | Low | 88.6 | Confident | 228 Ų | 228 | 116.1 Ų | 116.1 | 99% | 0.991 | 57% | 0.573 | S | S | * | * | trans | -81.8 | 0 | 168.4 | -73.5 | -177.9 | 176.6 | -179 | 0 | 109.6 | V207 E208 | V207-K211 PolarHBondContact O-N 3.31Å; E208-K211 PolarHBondContact O-N 2.73Å |
Retrieved 211 of 211 residues in 161 ms
(Link to these results)