| 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 | 49.6 | Very low | 54.7 | Low | 229 Ų | 229 | 121.5 Ų | 121.5 | 100% | 1.128 | 62% | 0.624 | S | S | * | * | 0 | 29.9 | 0 | -66.4 | 175.2 | 164.4 | 0 | 0 | 112.9 | |||||
| 2 | H | 47.8 | Very low | 54.8 | Low | 157 Ų | 157 | 122.1 Ų | 122.1 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -107.4 | -12.4 | -176 | -103.4 | -176.5 | 0 | 0 | 0 | 114.7 | ||||
| 3 | N | 51.5 | Low | 54.7 | Low | 135 Ų | 135 | 122 Ų | 122 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.2 | -29.5 | -178.1 | -91.7 | 35.5 | 0 | 0 | 0 | 114.1 | Y5 | N3-Y5 PolarHBondContact O-N 2.91Å |
| 4 | G | 54.3 | Low | 54.5 | Low | 41 Ų | 41 | 120.6 Ų | 120.6 | 42% | 0.423 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.2 | -34.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N6 E7 I8 | G4-N6 PolarHBondContact O-N 2.84Å; G4-E7 PolarHBondContact O-N 2.87Å; G4-I8 VanDerWaalsContact O-CD1 3.24Å; G4-I8 WeakPolarHBondContact O-CD1 3.39Å; G4-I8 WeakPolarHBondContact O-CG1 3.31Å; G4-I8 PolarHBondContact O-N 3.03Å; G4-I8 VanDerWaalsContact O-N 3.15Å |
| 5 | Y | 54.4 | Low | 54.3 | Low | 171 Ų | 171 | 122.7 Ų | 122.7 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.3 | -33.9 | -177.1 | -67.6 | -81.3 | 0 | 0 | 0 | 113.4 | N3 G9 | N3-Y5 PolarHBondContact O-N 2.91Å; Y5-G9 PolarHBondContact O-N 2.84Å |
| 6 | N | 53.7 | Low | 53.9 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.2 | -35.9 | 179.4 | -69.2 | -30 | 0 | 0 | 0 | 111.6 | G4 F10 | G4-N6 PolarHBondContact O-N 2.84Å; N6-F10 VanDerWaalsContact O-CB 3.32Å; N6-F10 WeakPolarHBondContact O-CB 3.29Å; N6-F10 PolarHBondContact O-N 3.41Å |
| 7 | E | 56.7 | Low | 53.2 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 67% | 0.673 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -43.9 | 174.6 | -63.9 | -154.6 | 109.2 | 0 | 0 | 111 | G4 G9 F10 V11 | G4-E7 PolarHBondContact O-N 2.87Å; E7-G9 VanDerWaalsContact C-N 3.31Å; E7-G9 PolarHBondContact O-N 3.32Å; E7-F10 PolarHBondContact O-N 3.49Å; E7-F10 VanDerWaalsContact O-N 3.13Å; E7-V11 WeakPolarHBondContact O-CG2 3.27Å; E7-V11 PolarHBondContact O-N 3.45Å |
| 8 | I | 58.3 | Low | 52.9 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61 | -40.9 | 176.9 | -59 | 158.6 | 0 | 0 | 0 | 110.8 | G4 V11 Q12 | G4-I8 VanDerWaalsContact O-CD1 3.24Å; G4-I8 WeakPolarHBondContact O-CD1 3.39Å; G4-I8 WeakPolarHBondContact O-CG1 3.31Å; G4-I8 PolarHBondContact O-N 3.03Å; G4-I8 VanDerWaalsContact O-N 3.15Å; I8-V11 WeakPolarHBondContact O-CG2 3.24Å; I8-Q12 WeakPolarHBondContact O-CB 3.13Å; I8-Q12 PolarHBondContact O-N 3.42Å |
| 9 | G | 61.4 | Low | 52.6 | Low | 31 Ų | 31 | 123.6 Ų | 123.6 | 32% | 0.32 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y5 E7 Q12 Q13 | Y5-G9 PolarHBondContact O-N 2.84Å; E7-G9 VanDerWaalsContact C-N 3.31Å; E7-G9 PolarHBondContact O-N 3.32Å; G9-Q12 PolarHBondContact O-N 3.15Å; G9-Q13 VanDerWaalsContact O-CB 3.24Å; G9-Q13 WeakPolarHBondContact O-CB 3.25Å; G9-Q13 PolarHBondContact O-N 3.37Å |
| 10 | F | 59.6 | Low | 52.2 | Low | 132 Ų | 132 | 123.7 Ų | 123.7 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.1 | -43.5 | 179.6 | -175.5 | -109.7 | 0 | 0 | 0 | 112.9 | N6 E7 Q12 Q13 I14 | N6-F10 VanDerWaalsContact O-CB 3.32Å; N6-F10 WeakPolarHBondContact O-CB 3.29Å; N6-F10 PolarHBondContact O-N 3.41Å; E7-F10 PolarHBondContact O-N 3.49Å; E7-F10 VanDerWaalsContact O-N 3.13Å; F10-Q12 VanDerWaalsContact C-N 3.33Å; F10-Q13 PolarHBondContact O-N 2.88Å; F10-I14 HydrophobicContact CD1-CD1 3.63Å; F10-I14 HydrophobicContact CD2-CD1 4.49Å; F10-I14 HydrophobicContact CE1-CD1 3.23Å; F10-I14 HydrophobicContact CE1-CG1 4.37Å; F10-I14 HydrophobicContact CE2-CD1 4.15Å; F10-I14 HydrophobicContact CG-CD1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.52Å; F10-I14 HydrophobicContact CZ-CG1 4.37Å; F10-I14 WeakPolarHBondContact O-CG1 3.22Å; F10-I14 PolarHBondContact O-N 2.96Å |
| 11 | V | 54.3 | Low | 51.7 | Low | 78 Ų | 78 | 123.6 Ų | 123.6 | 47% | 0.473 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67 | -35.5 | 173 | -77.6 | 0 | 0 | 0 | 0 | 111.6 | E7 I8 Q13 I14 L15 | E7-V11 WeakPolarHBondContact O-CG2 3.27Å; E7-V11 PolarHBondContact O-N 3.45Å; I8-V11 WeakPolarHBondContact O-CG2 3.24Å; V11-Q13 VanDerWaalsContact C-N 3.3Å; V11-Q13 PolarHBondContact O-N 3.13Å; V11-I14 PolarHBondContact O-N 3.48Å; V11-L15 VanDerWaalsContact O-CB 3.31Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 VanDerWaalsContact O-CD1 3.26Å; V11-L15 WeakPolarHBondContact O-CD1 3.03Å; V11-L15 PolarHBondContact O-N 3.5Å |
| 12 | Q | 56 | Low | 51.9 | Low | 128 Ų | 128 | 123 Ų | 123 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.3 | -36.6 | 174.2 | -164.5 | -177.1 | 7.5 | 0 | 0 | 111 | I8 G9 F10 L15 S16 | I8-Q12 WeakPolarHBondContact O-CB 3.13Å; I8-Q12 PolarHBondContact O-N 3.42Å; G9-Q12 PolarHBondContact O-N 3.15Å; F10-Q12 VanDerWaalsContact C-N 3.33Å; Q12-L15 PolarHBondContact O-N 2.96Å; Q12-S16 WeakPolarHBondContact O-CB 3.32Å; Q12-S16 PolarHBondContact O-N 3.39Å; Q12-S16 PolarHBondContact O-OG 2.82Å |
| 13 | Q | 52.9 | Low | 51.5 | Low | 121 Ų | 121 | 124.8 Ų | 124.8 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.2 | -37.3 | 176.1 | -154.4 | 177.3 | -30 | 0 | 0 | 111.6 | G9 F10 V11 S16 L17 | G9-Q13 VanDerWaalsContact O-CB 3.24Å; G9-Q13 WeakPolarHBondContact O-CB 3.25Å; G9-Q13 PolarHBondContact O-N 3.37Å; F10-Q13 PolarHBondContact O-N 2.88Å; V11-Q13 VanDerWaalsContact C-N 3.3Å; V11-Q13 PolarHBondContact O-N 3.13Å; Q13-S16 PolarHBondContact O-N 2.84Å; Q13-L17 HydrophobicContact CG-CD1 3.71Å; Q13-L17 VanDerWaalsContact O-CB 3.26Å; Q13-L17 WeakPolarHBondContact O-CB 3.14Å; Q13-L17 WeakPolarHBondContact O-CD1 3.34Å; Q13-L17 PolarHBondContact O-N 3.13Å |
| 14 | I | 51.8 | Low | 51.8 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 52% | 0.523 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70 | -40.4 | 172.2 | -69.2 | 170.9 | 0 | 0 | 0 | 111.7 | F10 V11 S16 | F10-I14 HydrophobicContact CD1-CD1 3.63Å; F10-I14 HydrophobicContact CD2-CD1 4.49Å; F10-I14 HydrophobicContact CE1-CD1 3.23Å; F10-I14 HydrophobicContact CE1-CG1 4.37Å; F10-I14 HydrophobicContact CE2-CD1 4.15Å; F10-I14 HydrophobicContact CG-CD1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.52Å; F10-I14 HydrophobicContact CZ-CG1 4.37Å; F10-I14 WeakPolarHBondContact O-CG1 3.22Å; F10-I14 PolarHBondContact O-N 2.96Å; V11-I14 PolarHBondContact O-N 3.48Å; I14-S16 PolarHBondContact O-N 3.24Å |
| 15 | L | 52.3 | Low | 51.2 | Low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.8 | -25.5 | 172.6 | -102.4 | 83.2 | 0 | 0 | 0 | 112.2 | V11 Q12 | V11-L15 VanDerWaalsContact O-CB 3.31Å; V11-L15 WeakPolarHBondContact O-CB 3.32Å; V11-L15 VanDerWaalsContact O-CD1 3.26Å; V11-L15 WeakPolarHBondContact O-CD1 3.03Å; V11-L15 PolarHBondContact O-N 3.5Å; Q12-L15 PolarHBondContact O-N 2.96Å |
| 16 | S | 47.2 | Very low | 50.8 | Low | 91 Ų | 91 | 123.5 Ų | 123.5 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -100.4 | -12.1 | -175.6 | -57.3 | 0 | 0 | 0 | 0 | 114.2 | Q12 Q13 I14 N18 | Q12-S16 WeakPolarHBondContact O-CB 3.32Å; Q12-S16 PolarHBondContact O-N 3.39Å; Q12-S16 PolarHBondContact O-OG 2.82Å; Q13-S16 PolarHBondContact O-N 2.84Å; I14-S16 PolarHBondContact O-N 3.24Å; S16-N18 PolarHBondContact O-N 2.86Å |
| 17 | L | 42.7 | Very low | 50.3 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 56% | 0.56 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87 | 110.3 | -172.4 | -121.7 | 96.1 | 0 | 0 | 0 | 113.4 | Q13 | Q13-L17 HydrophobicContact CG-CD1 3.71Å; Q13-L17 VanDerWaalsContact O-CB 3.26Å; Q13-L17 WeakPolarHBondContact O-CB 3.14Å; Q13-L17 WeakPolarHBondContact O-CD1 3.34Å; Q13-L17 PolarHBondContact O-N 3.13Å |
| 18 | N | 46.8 | Very low | 49.8 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 72.7 | 62.5 | 140.8 | -79.8 | -50.1 | 0 | 0 | 0 | 120 | S16 | S16-N18 PolarHBondContact O-N 2.86Š|
| 19 | L | 47.6 | Very low | 48.7 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 91% | 0.911 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -124.3 | -3.4 | 151.7 | -102.3 | 153.2 | 0 | 0 | 0 | 114.5 | ||
| 20 | V | 45.1 | Very low | 48.2 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -116.7 | 114.2 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | R22 | V20-R22 PolarHBondContact O-N 3.43Å; V20-R22 VanDerWaalsContact O-N 3.09Å |
| 21 | P | 41.4 | Very low | 47.3 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -61.8 | 113.4 | 177 | -19.3 | 30.5 | 0 | 0 | 0 | 110.3 | K23 | P21-K23 PolarHBondContact O-N 3.46Š| ||
| 22 | R | 53.2 | Low | 46.8 | Very low | 216 Ų | 216 | 136.4 Ų | 136.4 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | -74.2 | 96.1 | 173 | 177.7 | 154.1 | 167.9 | 139.6 | -11.8 | 109.6 | V20 N24 | V20-R22 PolarHBondContact O-N 3.43Å; V20-R22 VanDerWaalsContact O-N 3.09Å; R22-N24 WeakPolarHBondContact CG-OD1 3.49Å; R22-N24 PolarHBondContact NE-OD1 2.81Å; R22-N24 PolarHBondContact O-N 2.89Å | ||
| 23 | K | 41.3 | Very low | 46.1 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | -72.5 | 101.9 | 168.9 | -175.4 | -179.4 | 177.1 | 179.9 | 0 | 109.2 | P21 | P21-K23 PolarHBondContact O-N 3.46Š| ||
| 24 | N | 57.4 | Low | 45.9 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -84 | 112.3 | 169.2 | -76.2 | -9.2 | 0 | 0 | 0 | 109.2 | R22 | R22-N24 WeakPolarHBondContact CG-OD1 3.49Å; R22-N24 PolarHBondContact NE-OD1 2.81Å; R22-N24 PolarHBondContact O-N 2.89Å | ||
| 25 | G | 42.1 | Very low | 45.6 | Very low | 56 Ų | 56 | 132.8 Ų | 132.8 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | trans | -175.8 | 74.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 26 | T | 46.1 | Very low | 45.7 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | 35.8 | 98.3 | 142.1 | 53.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 27 | N | 42.3 | Very low | 45.9 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | -179.9 | 136.4 | 118.9 | -110.6 | -89.5 | 0 | 0 | 0 | 111.7 | G29 | N27-G29 PolarHBondContact O-N 3.38Š| |||
| 28 | R | 46.4 | Very low | 46.1 | Very low | 244 Ų | 244 | 129.7 Ų | 129.7 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | 5.7 | 99.1 | 155.3 | -76.6 | 172.9 | 159.7 | 158.1 | -6.1 | 116.6 | ||||
| 29 | G | 35.6 | Very low | 46.5 | Very low | 63 Ų | 63 | 129 Ų | 129 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | 179.6 | 98.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | N27 D31 | N27-G29 PolarHBondContact O-N 3.38Å; G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.49Å | ||
| 30 | N | 50 | Low | 47 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 80% | 0.802 | 68% | 0.684 | S | S | * | * | trans | -73.8 | 79.5 | 176.2 | 174.5 | 57.3 | 0 | 0 | 0 | 109.5 | ||||
| 31 | D | 41.3 | Very low | 47.4 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | -136.7 | 70.8 | 171.7 | -70.1 | -54 | 0 | 0 | 0 | 111.1 | G29 S33 | G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.49Å; D31-S33 PolarHBondContact O-N 2.9Å | ||
| 32 | T | 44.1 | Very low | 47.9 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | trans | -69.9 | 58.1 | 152.5 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 33 | S | 40.4 | Very low | 48 | Very low | 68 Ų | 68 | 115.3 Ų | 115.3 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | trans | -128.2 | 109.8 | 178.9 | -170 | 0 | 0 | 0 | 0 | 108.8 | D31 S35 | D31-S33 PolarHBondContact O-N 2.9Å; S33-S35 PolarHBondContact O-N 3.4Å; S33-S35 PolarHBondContact O-OG 3.08Å | ||
| 34 | L | 49.2 | Very low | 48.9 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | trans | -67.8 | 77.3 | 161.6 | -73.9 | 157.3 | 0 | 0 | 0 | 107.4 | E39 | L34-E39 HydrophobicContact CD2-CG 4.24Å; L34-E39 WeakPolarHBondContact CD2-OE1 3.36Å | ||
| 35 | S | 46.1 | Very low | 48.9 | Very low | 88 Ų | 88 | 106.3 Ų | 106.3 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | trans | -89.9 | -9.6 | -172.1 | 39.1 | 0 | 0 | 0 | 0 | 114.3 | S33 | S33-S35 PolarHBondContact O-N 3.4Å; S33-S35 PolarHBondContact O-OG 3.08Å | ||
| 36 | D | 52.8 | Low | 49.6 | Very low | 108 Ų | 108 | 108.4 Ų | 108.4 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | trans | -102 | 121.2 | -175.7 | -80.8 | -58.7 | 0 | 0 | 0 | 112.8 | S38 E39 | D36-S38 PolarHBondContact O-N 3.45Å; D36-E39 PolarHBondContact O-N 3.41Å | ||
| 37 | F | 52.6 | Low | 50.2 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -49.5 | -33.1 | 175.6 | 178.2 | -98 | 0 | 0 | 0 | 112.7 | E39 W41 A100 | F37-E39 VanDerWaalsContact C-N 3.33Å; F37-E39 PolarHBondContact O-N 3.09Å; F37-W41 WeakPolarHBondContact O-CB 3.5Å; F37-W41 PolarHBondContact O-N 3.38Å; F37-A100 HydrophobicContact CE2-CB 4.17Å |
| 38 | S | 47.5 | Very low | 50.8 | Low | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 179.9 | -144.4 | 0 | 0 | 0 | 0 | 112.5 | D36 Y42 | D36-S38 PolarHBondContact O-N 3.45Å; S38-Y42 WeakPolarHBondContact O-CB 3.14Å; S38-Y42 PolarHBondContact O-N 3.49Å |
| 39 | E | 55.2 | Low | 51.3 | Low | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76 | -38.7 | -176.5 | -151.4 | 173 | 147 | 0 | 0 | 111.4 | L34 D36 F37 G43 | L34-E39 HydrophobicContact CD2-CG 4.24Å; L34-E39 WeakPolarHBondContact CD2-OE1 3.36Å; D36-E39 PolarHBondContact O-N 3.41Å; F37-E39 VanDerWaalsContact C-N 3.33Å; F37-E39 PolarHBondContact O-N 3.09Å; E39-G43 PolarHBondContact O-N 3.46Å; E39-G43 VanDerWaalsContact O-N 3.09Å |
| 40 | M | 57.1 | Low | 52.2 | Low | 106 Ų | 106 | 96.2 Ų | 96.2 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 171.1 | -86.3 | -177.6 | -79.7 | 0 | 0 | 112.3 | G43 V44 | M40-G43 PolarHBondContact O-N 3.25Å; M40-V44 PolarHBondContact O-N 2.96Å |
| 41 | W | 54.2 | Low | 52.5 | Low | 77 Ų | 77 | 91 Ų | 91 | 29% | 0.292 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | -179.9 | 178.2 | 70.1 | 0 | 0 | 0 | 112 | F37 G43 V44 F45 | F37-W41 WeakPolarHBondContact O-CB 3.5Å; F37-W41 PolarHBondContact O-N 3.38Å; W41-G43 VanDerWaalsContact C-N 3.32Å; W41-G43 PolarHBondContact O-N 3.45Å; W41-V44 PolarHBondContact O-N 3.42Å; W41-F45 VanDerWaalsContact O-CB 3.3Å; W41-F45 WeakPolarHBondContact O-CB 3.26Å; W41-F45 PolarHBondContact O-N 2.93Å |
| 42 | Y | 50.3 | Low | 53.2 | Low | 125 Ų | 125 | 85.7 Ų | 85.7 | 49% | 0.49 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.4 | -107.5 | -84.5 | 0 | 0 | 0 | 111.8 | S38 V44 F45 L46 | S38-Y42 WeakPolarHBondContact O-CB 3.14Å; S38-Y42 PolarHBondContact O-N 3.49Å; Y42-V44 PolarHBondContact O-N 2.98Å; Y42-F45 PolarHBondContact O-N 2.83Å; Y42-L46 HydrophobicContact CD1-CD1 4.03Å; Y42-L46 VanDerWaalsContact O-CB 3.3Å; Y42-L46 WeakPolarHBondContact O-CB 3.2Å; Y42-L46 PolarHBondContact O-N 2.78Å |
| 43 | G | 56.5 | Low | 53.7 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E39 M40 W41 W47 | E39-G43 PolarHBondContact O-N 3.46Å; E39-G43 VanDerWaalsContact O-N 3.09Å; M40-G43 PolarHBondContact O-N 3.25Å; W41-G43 VanDerWaalsContact C-N 3.32Å; W41-G43 PolarHBondContact O-N 3.45Å; G43-W47 PolarHBondContact O-N 3.49Å |
| 44 | V | 59.7 | Low | 54.4 | Low | 61 Ų | 61 | 85.6 Ų | 85.6 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | M40 W41 Y42 W47 A48 | M40-V44 PolarHBondContact O-N 2.96Å; W41-V44 PolarHBondContact O-N 3.42Å; Y42-V44 PolarHBondContact O-N 2.98Å; V44-W47 PolarHBondContact O-N 3.4Å; V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.28Å; V44-A48 PolarHBondContact O-N 3.35Å |
| 45 | F | 57.7 | Low | 54.7 | Low | 78 Ų | 78 | 86.8 Ų | 86.8 | 34% | 0.342 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.4 | 177.8 | -100.8 | 0 | 0 | 0 | 112.7 | W41 Y42 A48 A49 V93 | W41-F45 VanDerWaalsContact O-CB 3.3Å; W41-F45 WeakPolarHBondContact O-CB 3.26Å; W41-F45 PolarHBondContact O-N 2.93Å; Y42-F45 PolarHBondContact O-N 2.83Å; F45-A48 PolarHBondContact O-N 2.94Å; F45-A49 VanDerWaalsContact O-CB 3.32Å; F45-A49 WeakPolarHBondContact O-CB 3.41Å; F45-A49 PolarHBondContact O-N 2.64Å; F45-V93 HydrophobicContact CD2-CG2 4.29Å; F45-V93 HydrophobicContact CE2-CG2 4.23Å |
| 46 | L | 56.6 | Low | 54.9 | Low | 99 Ų | 99 | 86 Ų | 86 | 52% | 0.518 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.1 | -110.5 | 150.5 | 0 | 0 | 0 | 111.4 | Y42 A49 V50 | Y42-L46 HydrophobicContact CD1-CD1 4.03Å; Y42-L46 VanDerWaalsContact O-CB 3.3Å; Y42-L46 WeakPolarHBondContact O-CB 3.2Å; Y42-L46 PolarHBondContact O-N 2.78Å; L46-A49 PolarHBondContact O-N 3.49Å; L46-V50 HydrophobicContact CD2-CG2 4.46Å; L46-V50 WeakPolarHBondContact O-CB 3.13Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.36Å |
| 47 | W | 59.3 | Low | 54.8 | Low | 158 Ų | 158 | 85.9 Ų | 85.9 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.5 | -36.8 | 178 | -122 | 141.3 | 0 | 0 | 0 | 112.1 | G43 V44 A49 V50 S51 | G43-W47 PolarHBondContact O-N 3.49Å; V44-W47 PolarHBondContact O-N 3.4Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.34Å; W47-V50 HydrophobicContact CE3-CB 4.03Å; W47-V50 HydrophobicContact CE3-CG1 4.06Å; W47-V50 HydrophobicContact CZ3-CB 4.29Å; W47-V50 HydrophobicContact CZ3-CG1 3.81Å; W47-S51 VanDerWaalsContact CE3-OG 3.26Å; W47-S51 WeakPolarHBondContact CZ3-OG 3.46Å; W47-S51 VanDerWaalsContact O-CB 3.27Å; W47-S51 WeakPolarHBondContact O-CB 3.49Å; W47-S51 PolarHBondContact O-N 2.92Å; W47-S51 PolarHBondContact O-OG 3.32Å |
| 48 | A | 55.3 | Low | 54.7 | Low | 56 Ų | 56 | 84 Ų | 84 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V44 F45 S52 | V44-A48 VanDerWaalsContact O-CB 3.31Å; V44-A48 WeakPolarHBondContact O-CB 3.28Å; V44-A48 PolarHBondContact O-N 3.35Å; F45-A48 PolarHBondContact O-N 2.94Å; A48-S52 WeakPolarHBondContact O-CB 3.49Å; A48-S52 PolarHBondContact O-N 3.49Å |
| 49 | A | 55.4 | Low | 55 | Low | 46 Ų | 46 | 83.5 Ų | 83.5 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F45 L46 W47 S52 L53 | F45-A49 VanDerWaalsContact O-CB 3.32Å; F45-A49 WeakPolarHBondContact O-CB 3.41Å; F45-A49 PolarHBondContact O-N 2.64Å; L46-A49 PolarHBondContact O-N 3.49Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.34Å; A49-S52 PolarHBondContact O-N 3.3Å; A49-L53 WeakPolarHBondContact O-CB 3.24Å; A49-L53 PolarHBondContact O-N 3.32Å |
| 50 | V | 55.5 | Low | 54.9 | Low | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | L46 W47 L53 V54 | L46-V50 HydrophobicContact CD2-CG2 4.46Å; L46-V50 WeakPolarHBondContact O-CB 3.13Å; L46-V50 VanDerWaalsContact O-CG2 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.36Å; W47-V50 HydrophobicContact CE3-CB 4.03Å; W47-V50 HydrophobicContact CE3-CG1 4.06Å; W47-V50 HydrophobicContact CZ3-CB 4.29Å; W47-V50 HydrophobicContact CZ3-CG1 3.81Å; V50-L53 PolarHBondContact O-N 3.12Å; V50-V54 WeakPolarHBondContact O-CG2 3.08Å; V50-V54 PolarHBondContact O-N 3.4Å; V50-V54 VanDerWaalsContact O-N 3.12Å |
| 51 | S | 56.7 | Low | 54.9 | Low | 40 Ų | 40 | 80.1 Ų | 80.1 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | W47 L53 V54 F55 | W47-S51 VanDerWaalsContact CE3-OG 3.26Å; W47-S51 WeakPolarHBondContact CZ3-OG 3.46Å; W47-S51 VanDerWaalsContact O-CB 3.27Å; W47-S51 WeakPolarHBondContact O-CB 3.49Å; W47-S51 PolarHBondContact O-N 2.92Å; W47-S51 PolarHBondContact O-OG 3.32Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.44Å; S51-V54 PolarHBondContact O-N 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.26Å; S51-F55 PolarHBondContact O-N 2.8Å |
| 52 | S | 54.9 | Low | 55.2 | Low | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | A48 A49 V54 F55 H56 | A48-S52 WeakPolarHBondContact O-CB 3.49Å; A48-S52 PolarHBondContact O-N 3.49Å; A49-S52 PolarHBondContact O-N 3.3Å; S52-V54 PolarHBondContact O-N 2.93Å; S52-F55 PolarHBondContact O-N 3.34Å; S52-H56 VanDerWaalsContact O-CB 3.32Å; S52-H56 WeakPolarHBondContact O-CB 3.38Å; S52-H56 PolarHBondContact O-N 2.89Å; S52-H56 PolarHBondContact O-ND1 3.07Å; S52-H56 PolarHBondContact OG-CE1 3.41Å; S52-H56 PolarHBondContact OG-ND1 3.25Å |
| 53 | L | 55 | Low | 55.4 | Low | 110 Ų | 110 | 77.7 Ų | 77.7 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -37.4 | -179.9 | -166.6 | 66 | 0 | 0 | 0 | 112.6 | A49 V50 S51 F55 H56 L57 | A49-L53 WeakPolarHBondContact O-CB 3.24Å; A49-L53 PolarHBondContact O-N 3.32Å; V50-L53 PolarHBondContact O-N 3.12Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.44Å; L53-F55 PolarHBondContact O-N 3.45Å; L53-H56 PolarHBondContact O-N 2.93Å; L53-L57 HydrophobicContact CD1-CD1 3.78Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.73Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 2.98Å |
| 54 | V | 55 | Low | 55.3 | Low | 92 Ų | 92 | 80 Ų | 80 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.3 | -35.1 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | V50 S51 S52 P58 | V50-V54 WeakPolarHBondContact O-CG2 3.08Å; V50-V54 PolarHBondContact O-N 3.4Å; V50-V54 VanDerWaalsContact O-N 3.12Å; S51-V54 PolarHBondContact O-N 3.31Å; S52-V54 PolarHBondContact O-N 2.93Å; V54-P58 WeakPolarHBondContact O-CD 3.31Å; V54-P58 WeakPolarHBondContact O-CG 3.26Å |
| 55 | F | 56.3 | Low | 55.1 | Low | 144 Ų | 144 | 80.3 Ų | 80.3 | 63% | 0.632 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -85.1 | -27.5 | 177.1 | -66.8 | -66.5 | 0 | 0 | 0 | 113.2 | S51 S52 L53 | S51-F55 WeakPolarHBondContact O-CD2 3.26Å; S51-F55 PolarHBondContact O-N 2.8Å; S52-F55 PolarHBondContact O-N 3.34Å; L53-F55 PolarHBondContact O-N 3.45Å |
| 56 | H | 49.4 | Very low | 54.9 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 34% | 0.338 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -86.1 | -24.1 | 179.1 | -72.7 | 69.7 | 0 | 0 | 0 | 113.2 | S52 L53 A59 A60 | S52-H56 VanDerWaalsContact O-CB 3.32Å; S52-H56 WeakPolarHBondContact O-CB 3.38Å; S52-H56 PolarHBondContact O-N 2.89Å; S52-H56 PolarHBondContact O-ND1 3.07Å; S52-H56 PolarHBondContact OG-CE1 3.41Å; S52-H56 PolarHBondContact OG-ND1 3.25Å; L53-H56 PolarHBondContact O-N 2.93Å; H56-A59 PolarHBondContact O-N 3.33Å; H56-A60 WeakPolarHBondContact O-CB 3.1Å; H56-A60 PolarHBondContact O-N 3.3Å |
| 57 | L | 50.6 | Low | 54.5 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 176.3 | -123 | 91.8 | 0 | 0 | 0 | 112.3 | L53 A60 L61 | L53-L57 HydrophobicContact CD1-CD1 3.78Å; L53-L57 HydrophobicContact CD2-CD1 4.49Å; L53-L57 HydrophobicContact CG-CD1 3.73Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 3.37Å; L57-L61 VanDerWaalsContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 2.99Å |
| 58 | P | 50.2 | Low | 54.1 | Low | 68 Ų | 68 | 82.6 Ų | 82.6 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 179.8 | -19.1 | 31.5 | 0 | 0 | 0 | 112 | V54 L61 L62 | V54-P58 WeakPolarHBondContact O-CD 3.31Å; V54-P58 WeakPolarHBondContact O-CG 3.26Å; P58-L61 PolarHBondContact O-N 2.9Å; P58-L62 WeakPolarHBondContact O-CB 3.34Å; P58-L62 VanDerWaalsContact O-CD1 3.31Å; P58-L62 WeakPolarHBondContact O-CD1 3.47Å; P58-L62 PolarHBondContact O-N 3.37Å |
| 59 | A | 53.7 | Low | 54.1 | Low | 58 Ų | 58 | 88.3 Ų | 88.3 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H56 A63 | H56-A59 PolarHBondContact O-N 3.33Å; A59-A63 VanDerWaalsContact O-CB 3.26Å; A59-A63 WeakPolarHBondContact O-CB 3.42Å; A59-A63 PolarHBondContact O-N 3.21Å |
| 60 | A | 54 | Low | 53.7 | Low | 34 Ų | 34 | 93.5 Ų | 93.5 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H56 L57 A63 L64 | H56-A60 WeakPolarHBondContact O-CB 3.1Å; H56-A60 PolarHBondContact O-N 3.3Å; L57-A60 PolarHBondContact O-N 3.37Å; A60-A63 PolarHBondContact O-N 3.4Å; A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.32Å; A60-L64 WeakPolarHBondContact O-CD1 3.16Å; A60-L64 PolarHBondContact O-N 3.31Å |
| 61 | L | 56.5 | Low | 53.6 | Low | 123 Ų | 123 | 100.4 Ų | 100.4 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -42.6 | 177.3 | -148.2 | 82.4 | 0 | 0 | 0 | 111.6 | L57 P58 L64 A65 | L57-L61 VanDerWaalsContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 2.99Å; P58-L61 PolarHBondContact O-N 2.9Å; L61-L64 PolarHBondContact O-N 2.89Å; L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 2.93Å |
| 62 | L | 60.1 | Low | 53.2 | Low | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.4 | -42.4 | 173.3 | -100.8 | 101.1 | 0 | 0 | 0 | 111.5 | P58 L64 A65 T66 | P58-L62 WeakPolarHBondContact O-CB 3.34Å; P58-L62 VanDerWaalsContact O-CD1 3.31Å; P58-L62 WeakPolarHBondContact O-CD1 3.47Å; P58-L62 PolarHBondContact O-N 3.37Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 2.96Å; L62-A65 PolarHBondContact O-N 3.49Å; L62-T66 VanDerWaalsContact O-CB 3.29Å; L62-T66 WeakPolarHBondContact O-CB 3.33Å; L62-T66 PolarHBondContact O-N 3.38Å; L62-T66 PolarHBondContact O-OG1 3.49Å |
| 63 | A | 55.2 | Low | 52.9 | Low | 34 Ų | 34 | 107.9 Ų | 107.9 | 28% | 0.281 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A59 A60 L67 | A59-A63 VanDerWaalsContact O-CB 3.26Å; A59-A63 WeakPolarHBondContact O-CB 3.42Å; A59-A63 PolarHBondContact O-N 3.21Å; A60-A63 PolarHBondContact O-N 3.4Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 VanDerWaalsContact O-CD1 3.22Å; A63-L67 WeakPolarHBondContact O-CD1 3.5Å; A63-L67 PolarHBondContact O-N 3.24Å |
| 64 | L | 55 | Low | 52.9 | Low | 92 Ų | 92 | 109.7 Ų | 109.7 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.4 | -37.8 | 174.7 | -91.4 | 156.1 | 0 | 0 | 0 | 113.1 | A60 L61 L62 R68 | A60-L64 VanDerWaalsContact O-CB 3.28Å; A60-L64 WeakPolarHBondContact O-CB 3.32Å; A60-L64 WeakPolarHBondContact O-CD1 3.16Å; A60-L64 PolarHBondContact O-N 3.31Å; L61-L64 PolarHBondContact O-N 2.89Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 2.96Å; L64-R68 PolarHBondContact O-N 3.39Å |
| 65 | A | 55.8 | Low | 52.9 | Low | 67 Ų | 67 | 112.4 Ų | 112.4 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L61 L62 | L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 2.93Å; L62-A65 PolarHBondContact O-N 3.49Å |
| 66 | T | 53.5 | Low | 52.8 | Low | 104 Ų | 104 | 112 Ų | 112 | 64% | 0.638 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.3 | -30.8 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | L62 | L62-T66 VanDerWaalsContact O-CB 3.29Å; L62-T66 WeakPolarHBondContact O-CB 3.33Å; L62-T66 PolarHBondContact O-N 3.38Å; L62-T66 PolarHBondContact O-OG1 3.49Å |
| 67 | L | 47.6 | Very low | 53 | Low | 52 Ų | 52 | 110.6 Ų | 110.6 | 27% | 0.272 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -89.6 | -2.8 | 179 | -89.2 | 84 | 0 | 0 | 0 | 115.4 | A63 Q69 H70 A73 P77 | A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 VanDerWaalsContact O-CD1 3.22Å; A63-L67 WeakPolarHBondContact O-CD1 3.5Å; A63-L67 PolarHBondContact O-N 3.24Å; L67-Q69 PolarHBondContact O-N 3.11Å; L67-H70 PolarHBondContact O-N 3.24Å; L67-A73 HydrophobicContact CD2-CB 4.36Å; L67-A73 WeakPolarHBondContact CD2-O 3.2Å; L67-P77 HydrophobicContact CD1-CG 4.21Å; L67-P77 HydrophobicContact CD2-CG 3.44Å; L67-P77 VanDerWaalsContact CD2-CG 3.44Å; L67-P77 HydrophobicContact CG-CG 4.45Å |
| 68 | R | 50.6 | Low | 53.3 | Low | 227 Ų | 227 | 109.3 Ų | 109.3 | 86% | 0.857 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11.8 | 179.7 | -114.5 | 179.8 | 163.9 | 173.5 | -3.7 | 114.1 | L64 | L64-R68 PolarHBondContact O-N 3.39Š|
| 69 | Q | 54.5 | Low | 53.7 | Low | 176 Ų | 176 | 108.6 Ų | 108.6 | 82% | 0.822 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -12.6 | -175.4 | -71.8 | -94.2 | -59.7 | 0 | 0 | 115.1 | L67 | L67-Q69 PolarHBondContact O-N 3.11Š|
| 70 | H | 48.7 | Very low | 54 | Low | 154 Ų | 154 | 111.7 Ų | 111.7 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | trans | -133.5 | 125.2 | -176.5 | -103.8 | -92 | 0 | 0 | 0 | 115 | L67 M72 | L67-H70 PolarHBondContact O-N 3.24Å; H70-M72 VanDerWaalsContact C-N 3.3Å; H70-M72 PolarHBondContact O-N 3.42Å; H70-M72 VanDerWaalsContact O-N 3.13Å | ||
| 71 | K | 52.1 | Low | 54.2 | Low | 212 Ų | 212 | 113.3 Ų | 113.3 | 92% | 0.922 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.7 | -167.3 | -155 | 174.1 | -179 | -173.1 | 0 | 116.1 | ||
| 72 | M | 48.2 | Very low | 54.3 | Low | 178 Ų | 178 | 112.4 Ų | 112.4 | 88% | 0.877 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -7.8 | -173.4 | -78.5 | -68.7 | -78.7 | 0 | 0 | 116.2 | H70 | H70-M72 VanDerWaalsContact C-N 3.3Å; H70-M72 PolarHBondContact O-N 3.42Å; H70-M72 VanDerWaalsContact O-N 3.13Å |
| 73 | A | 48.7 | Very low | 54.3 | Low | 47 Ų | 47 | 114.3 Ų | 114.3 | 39% | 0.388 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -6.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L67 F75 M76 P77 | L67-A73 HydrophobicContact CD2-CB 4.36Å; L67-A73 WeakPolarHBondContact CD2-O 3.2Å; A73-F75 PolarHBondContact O-N 3.08Å; A73-F75 VanDerWaalsContact O-N 3.08Å; A73-M76 PolarHBondContact O-N 2.97Å; A73-P77 WeakPolarHBondContact O-CD 3.36Å |
| 74 | R | 56.3 | Low | 54.4 | Low | 148 Ų | 148 | 114.8 Ų | 114.8 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -30.4 | -169.5 | -173.4 | 175.2 | -169.7 | -179.8 | 1.8 | 115.4 | I78 | R74-I78 WeakPolarHBondContact O-CD1 3.38Š|
| 75 | F | 53.9 | Low | 54.4 | Low | 149 Ų | 149 | 113.7 Ų | 113.7 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -15.6 | -169.1 | -64.2 | -77.2 | 0 | 0 | 0 | 114.6 | A73 I78 A79 | A73-F75 PolarHBondContact O-N 3.08Å; A73-F75 VanDerWaalsContact O-N 3.08Å; F75-I78 HydrophobicContact CD1-CD1 4.07Å; F75-I78 WeakPolarHBondContact O-CB 3.49Å; F75-I78 PolarHBondContact O-N 3.24Å; F75-A79 PolarHBondContact O-N 3.47Å |
| 76 | M | 54.4 | Low | 54.7 | Low | 137 Ų | 137 | 114.6 Ų | 114.6 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.3 | -46.3 | 178.7 | -83.8 | -55.1 | -171.9 | 0 | 0 | 114.6 | A73 I78 A79 I80 | A73-M76 PolarHBondContact O-N 2.97Å; M76-I78 PolarHBondContact O-N 2.94Å; M76-A79 PolarHBondContact O-N 3.34Å; M76-I80 WeakPolarHBondContact O-CG1 3.26Å; M76-I80 PolarHBondContact O-N 2.87Å |
| 77 | P | 53.9 | Low | 54.9 | Low | 43 Ų | 43 | 111.8 Ų | 111.8 | 28% | 0.279 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.8 | -27.8 | 175 | 22.9 | -30.4 | 0 | 0 | 0 | 112.1 | L67 A73 L81 | L67-P77 HydrophobicContact CD1-CG 4.21Å; L67-P77 HydrophobicContact CD2-CG 3.44Å; L67-P77 VanDerWaalsContact CD2-CG 3.44Å; L67-P77 HydrophobicContact CG-CG 4.45Å; A73-P77 WeakPolarHBondContact O-CD 3.36Å; P77-L81 WeakPolarHBondContact O-CB 3.34Å; P77-L81 PolarHBondContact O-N 3.27Å |
| 78 | I | 55.9 | Low | 55.3 | Low | 76 Ų | 76 | 111.7 Ų | 111.7 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -43.5 | 174.8 | -59.4 | 174.8 | 0 | 0 | 0 | 110.4 | R74 F75 M76 L81 L82 | R74-I78 WeakPolarHBondContact O-CD1 3.38Å; F75-I78 HydrophobicContact CD1-CD1 4.07Å; F75-I78 WeakPolarHBondContact O-CB 3.49Å; F75-I78 PolarHBondContact O-N 3.24Å; M76-I78 PolarHBondContact O-N 2.94Å; I78-L81 PolarHBondContact O-N 2.93Å; I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 WeakPolarHBondContact O-CB 3.2Å; I78-L82 PolarHBondContact O-N 2.94Å |
| 79 | A | 59.7 | Low | 55.6 | Low | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F75 M76 L81 L82 M83 | F75-A79 PolarHBondContact O-N 3.47Å; M76-A79 PolarHBondContact O-N 3.34Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-L82 PolarHBondContact O-N 2.92Å; A79-M83 WeakPolarHBondContact O-CB 3.33Å; A79-M83 PolarHBondContact O-N 3.44Å |
| 80 | I | 60.3 | Low | 55.8 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 176.1 | -65.3 | 166.3 | 0 | 0 | 0 | 110.6 | M76 G84 | M76-I80 WeakPolarHBondContact O-CG1 3.26Å; M76-I80 PolarHBondContact O-N 2.87Å; I80-G84 PolarHBondContact O-N 2.94Å |
| 81 | L | 57.1 | Low | 56.2 | Low | 68 Ų | 68 | 93.5 Ų | 93.5 | 36% | 0.356 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.2 | -166.8 | 111.8 | 0 | 0 | 0 | 111.2 | P77 I78 A79 G84 I85 | P77-L81 WeakPolarHBondContact O-CB 3.34Å; P77-L81 PolarHBondContact O-N 3.27Å; I78-L81 PolarHBondContact O-N 2.93Å; A79-L81 VanDerWaalsContact C-N 3.35Å; L81-G84 PolarHBondContact O-N 3.47Å; L81-I85 HydrophobicContact CD2-CD1 3.58Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 WeakPolarHBondContact O-CB 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 3.32Å |
| 82 | L | 59 | Low | 56.4 | Low | 105 Ų | 105 | 84.2 Ų | 84.2 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.5 | -118.1 | 111.3 | 0 | 0 | 0 | 111.8 | I78 A79 G84 I85 V86 | I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 WeakPolarHBondContact O-CB 3.2Å; I78-L82 PolarHBondContact O-N 2.94Å; A79-L82 PolarHBondContact O-N 2.92Å; L82-G84 VanDerWaalsContact C-N 3.3Å; L82-G84 PolarHBondContact O-N 2.88Å; L82-I85 PolarHBondContact O-N 3.44Å; L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 2.82Å |
| 83 | M | 60.5 | Low | 56.8 | Low | 155 Ų | 155 | 78 Ų | 78 | 76% | 0.764 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61 | -41 | 177.9 | -168.4 | 85.9 | 166.3 | 0 | 0 | 111.3 | A79 G87 | A79-M83 WeakPolarHBondContact O-CB 3.33Å; A79-M83 PolarHBondContact O-N 3.44Å; M83-G87 PolarHBondContact O-N 3.31Å; M83-G87 VanDerWaalsContact O-N 3.11Å |
| 84 | G | 55.8 | Low | 57.2 | Low | 44 Ų | 44 | 81.7 Ų | 81.7 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I80 L81 L82 G87 L88 | I80-G84 PolarHBondContact O-N 2.94Å; L81-G84 PolarHBondContact O-N 3.47Å; L82-G84 VanDerWaalsContact C-N 3.3Å; L82-G84 PolarHBondContact O-N 2.88Å; G84-G87 PolarHBondContact O-N 3.33Å; G84-L88 VanDerWaalsContact O-CB 3.24Å; G84-L88 WeakPolarHBondContact O-CB 3.32Å; G84-L88 PolarHBondContact O-N 3.41Å |
| 85 | I | 56.8 | Low | 57.3 | Low | 70 Ų | 70 | 77 Ų | 77 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 176.4 | -72 | 168.1 | 0 | 0 | 0 | 110.4 | L81 L82 G87 L88 V89 | L81-I85 HydrophobicContact CD2-CD1 3.58Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 WeakPolarHBondContact O-CB 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.37Å; L81-I85 PolarHBondContact O-N 3.32Å; L82-I85 PolarHBondContact O-N 3.44Å; I85-G87 PolarHBondContact O-N 2.93Å; I85-L88 PolarHBondContact O-N 2.94Å; I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CB 3.31Å; I85-V89 WeakPolarHBondContact O-CB 3.18Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.2Å |
| 86 | V | 62.3 | Low | 57.3 | Low | 85 Ų | 85 | 71.1 Ų | 71.1 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L82 V89 C90 | L82-V86 VanDerWaalsContact O-CG2 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 2.82Å; V86-V89 PolarHBondContact O-N 2.86Å; V86-C90 WeakPolarHBondContact O-CB 3.3Å; V86-C90 PolarHBondContact O-N 2.87Å |
| 87 | G | 56.7 | Low | 57.4 | Low | 45 Ų | 45 | 66.6 Ų | 66.6 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M83 G84 I85 G91 | M83-G87 PolarHBondContact O-N 3.31Å; M83-G87 VanDerWaalsContact O-N 3.11Å; G84-G87 PolarHBondContact O-N 3.33Å; I85-G87 PolarHBondContact O-N 2.93Å; G87-G91 PolarHBondContact O-N 3.09Å |
| 88 | L | 57 | Low | 57.7 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 178 | -175.1 | 65.7 | 0 | 0 | 0 | 112.1 | G84 I85 G92 | G84-L88 VanDerWaalsContact O-CB 3.24Å; G84-L88 WeakPolarHBondContact O-CB 3.32Å; G84-L88 PolarHBondContact O-N 3.41Å; I85-L88 PolarHBondContact O-N 2.94Å; L88-G92 VanDerWaalsContact O-CA 3.3Å; L88-G92 WeakPolarHBondContact O-CA 3.44Å; L88-G92 PolarHBondContact O-N 3.36Å |
| 89 | V | 55.3 | Low | 57.9 | Low | 72 Ų | 72 | 66 Ų | 66 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.6 | -49.1 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | I85 V86 V93 | I85-V89 HydrophobicContact CG2-CG2 4.03Å; I85-V89 VanDerWaalsContact O-CB 3.31Å; I85-V89 WeakPolarHBondContact O-CB 3.18Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.2Å; V86-V89 PolarHBondContact O-N 2.86Å; V89-V93 HydrophobicContact CG1-CG2 4.41Å; V89-V93 WeakPolarHBondContact O-CB 3.41Å; V89-V93 WeakPolarHBondContact O-CG2 3.41Å; V89-V93 PolarHBondContact O-N 3.43Å |
| 90 | C | 59.2 | Low | 57.6 | Low | 74 Ų | 74 | 64.7 Ų | 64.7 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 177.7 | -77.9 | 0 | 0 | 0 | 0 | 112.1 | V86 L94 | V86-C90 WeakPolarHBondContact O-CB 3.3Å; V86-C90 PolarHBondContact O-N 2.87Å; C90-L94 WeakPolarHBondContact O-CB 3.47Å; C90-L94 WeakPolarHBondContact O-CD1 3.33Å; C90-L94 WeakPolarHBondContact O-CG 3.42Å; C90-L94 PolarHBondContact O-N 3.21Å |
| 91 | G | 56.8 | Low | 57.3 | Low | 28 Ų | 28 | 60.5 Ų | 60.5 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | G87 L94 T95 | G87-G91 PolarHBondContact O-N 3.09Å; G91-L94 PolarHBondContact O-N 3.05Å; G91-T95 VanDerWaalsContact O-CB 3.24Å; G91-T95 WeakPolarHBondContact O-CB 3.3Å; G91-T95 PolarHBondContact O-N 3.21Å; G91-T95 PolarHBondContact O-OG1 3.23Å |
| 92 | G | 56.3 | Low | 57.3 | Low | 17 Ų | 17 | 62 Ų | 62 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L88 S96 | L88-G92 VanDerWaalsContact O-CA 3.3Å; L88-G92 WeakPolarHBondContact O-CA 3.44Å; L88-G92 PolarHBondContact O-N 3.36Å; G92-S96 WeakPolarHBondContact O-CB 3.31Å; G92-S96 PolarHBondContact O-N 3.41Å; G92-S96 PolarHBondContact O-OG 3.5Å |
| 93 | V | 56.1 | Low | 57.2 | Low | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 111 | F45 V89 S96 A97 | F45-V93 HydrophobicContact CD2-CG2 4.29Å; F45-V93 HydrophobicContact CE2-CG2 4.23Å; V89-V93 HydrophobicContact CG1-CG2 4.41Å; V89-V93 WeakPolarHBondContact O-CB 3.41Å; V89-V93 WeakPolarHBondContact O-CG2 3.41Å; V89-V93 PolarHBondContact O-N 3.43Å; V93-S96 PolarHBondContact O-N 2.94Å; V93-A97 VanDerWaalsContact O-CB 3.24Å; V93-A97 WeakPolarHBondContact O-CB 3.3Å; V93-A97 PolarHBondContact O-N 2.86Å |
| 94 | L | 58.8 | Low | 56.7 | Low | 126 Ų | 126 | 60.3 Ų | 60.3 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 176.6 | -85.4 | 159 | 0 | 0 | 0 | 112.3 | C90 G91 A97 A98 | C90-L94 WeakPolarHBondContact O-CB 3.47Å; C90-L94 WeakPolarHBondContact O-CD1 3.33Å; C90-L94 WeakPolarHBondContact O-CG 3.42Å; C90-L94 PolarHBondContact O-N 3.21Å; G91-L94 PolarHBondContact O-N 3.05Å; L94-A97 PolarHBondContact O-N 3.17Å; L94-A98 WeakPolarHBondContact O-CB 3.24Å; L94-A98 PolarHBondContact O-N 3Å |
| 95 | T | 57 | Low | 56.7 | Low | 49 Ų | 49 | 62.7 Ų | 62.7 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | -179.8 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | G91 A98 I99 Q122 | G91-T95 VanDerWaalsContact O-CB 3.24Å; G91-T95 WeakPolarHBondContact O-CB 3.3Å; G91-T95 PolarHBondContact O-N 3.21Å; G91-T95 PolarHBondContact O-OG1 3.23Å; T95-A98 PolarHBondContact O-N 2.9Å; T95-I99 HydrophobicContact CG2-CD1 3.91Å; T95-I99 VanDerWaalsContact O-CG1 3.26Å; T95-I99 WeakPolarHBondContact O-CG1 3.17Å; T95-I99 PolarHBondContact O-N 3.08Å; T95-Q122 PolarHBondContact OG1-NE2 3.12Å; T95-Q122 VanDerWaalsContact OG1-NE2 3.11Å |
| 96 | S | 55 | Low | 56.5 | Low | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | G92 V93 I99 A100 | G92-S96 WeakPolarHBondContact O-CB 3.31Å; G92-S96 PolarHBondContact O-N 3.41Å; G92-S96 PolarHBondContact O-OG 3.5Å; V93-S96 PolarHBondContact O-N 2.94Å; S96-I99 PolarHBondContact O-N 3.44Å; S96-A100 VanDerWaalsContact O-CB 3.29Å; S96-A100 WeakPolarHBondContact O-CB 3.31Å; S96-A100 PolarHBondContact O-N 3.33Å |
| 97 | A | 55.3 | Low | 56 | Low | 42 Ų | 42 | 62.2 Ų | 62.2 | 35% | 0.347 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V93 L94 G101 | V93-A97 VanDerWaalsContact O-CB 3.24Å; V93-A97 WeakPolarHBondContact O-CB 3.3Å; V93-A97 PolarHBondContact O-N 2.86Å; L94-A97 PolarHBondContact O-N 3.17Å; A97-G101 PolarHBondContact O-N 2.95Å |
| 98 | A | 61.4 | Low | 55.2 | Low | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L94 T95 G101 V102 | L94-A98 WeakPolarHBondContact O-CB 3.24Å; L94-A98 PolarHBondContact O-N 3Å; T95-A98 PolarHBondContact O-N 2.9Å; A98-G101 PolarHBondContact O-N 3.42Å; A98-V102 WeakPolarHBondContact O-CG2 3.3Å; A98-V102 PolarHBondContact O-N 2.96Å |
| 99 | I | 58.6 | Low | 54.6 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 178.8 | -66.7 | 167.8 | 0 | 0 | 0 | 110.9 | T95 S96 G101 V102 Y103 M110 F118 | T95-I99 HydrophobicContact CG2-CD1 3.91Å; T95-I99 VanDerWaalsContact O-CG1 3.26Å; T95-I99 WeakPolarHBondContact O-CG1 3.17Å; T95-I99 PolarHBondContact O-N 3.08Å; S96-I99 PolarHBondContact O-N 3.44Å; I99-G101 VanDerWaalsContact C-N 3.28Å; I99-G101 PolarHBondContact O-N 3.07Å; I99-V102 PolarHBondContact O-N 3.03Å; I99-Y103 HydrophobicContact CG2-CD2 4.33Å; I99-Y103 PolarHBondContact O-N 2.87Å; I99-M110 HydrophobicContact CG2-CE 3.16Å; I99-M110 HydrophobicContact CG2-SD 4.15Å; I99-F118 HydrophobicContact CD1-CB 4.36Å |
| 100 | A | 54.3 | Low | 53.9 | Low | 26 Ų | 26 | 76 Ų | 76 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F37 S96 K104 | F37-A100 HydrophobicContact CE2-CB 4.17Å; S96-A100 VanDerWaalsContact O-CB 3.29Å; S96-A100 WeakPolarHBondContact O-CB 3.31Å; S96-A100 PolarHBondContact O-N 3.33Å; A100-K104 WeakPolarHBondContact O-CB 3.3Å; A100-K104 PolarHBondContact O-N 3.37Å |
| 101 | G | 54.1 | Low | 53.4 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A97 A98 I99 K104 A105 | A97-G101 PolarHBondContact O-N 2.95Å; A98-G101 PolarHBondContact O-N 3.42Å; I99-G101 VanDerWaalsContact C-N 3.28Å; I99-G101 PolarHBondContact O-N 3.07Å; G101-K104 PolarHBondContact O-N 3.5Å; G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 3.47Å |
| 102 | V | 57.6 | Low | 52.8 | Low | 99 Ų | 99 | 81.2 Ų | 81.2 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | A98 I99 A105 A106 | A98-V102 WeakPolarHBondContact O-CG2 3.3Å; A98-V102 PolarHBondContact O-N 2.96Å; I99-V102 PolarHBondContact O-N 3.03Å; V102-A105 PolarHBondContact O-N 2.93Å; V102-A106 WeakPolarHBondContact O-CB 3.21Å; V102-A106 PolarHBondContact O-N 2.78Å |
| 103 | Y | 55.8 | Low | 52.2 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 176.6 | -96.4 | -92.6 | 0 | 0 | 0 | 113.1 | I99 A106 G107 M110 | I99-Y103 HydrophobicContact CG2-CD2 4.33Å; I99-Y103 PolarHBondContact O-N 2.87Å; Y103-A106 PolarHBondContact O-N 2.78Å; Y103-G107 PolarHBondContact O-N 3.26Å; Y103-M110 HydrophobicContact CD1-CB 3.35Å; Y103-M110 HydrophobicContact CD1-CG 3.51Å; Y103-M110 HydrophobicContact CD1-SD 3.93Å; Y103-M110 HydrophobicContact CD2-CE 3.45Å; Y103-M110 VanDerWaalsContact CD2-CE 3.45Å; Y103-M110 HydrophobicContact CD2-CG 3.86Å; Y103-M110 HydrophobicContact CD2-SD 3.32Å; Y103-M110 WeakPolarHBondContact CD2-SD 3.24Å; Y103-M110 VanDerWaalsContact CE1-CA 3.44Å; Y103-M110 HydrophobicContact CE1-CB 3.54Å; Y103-M110 HydrophobicContact CE1-CG 3.41Å; Y103-M110 VanDerWaalsContact CE1-CG 3.41Å; Y103-M110 HydrophobicContact CE1-SD 4.23Å; Y103-M110 HydrophobicContact CE2-CE 3.27Å; Y103-M110 HydrophobicContact CE2-CG 3.76Å; Y103-M110 HydrophobicContact CE2-SD 3.66Å; Y103-M110 HydrophobicContact CG-CB 3.86Å; Y103-M110 HydrophobicContact CG-CE 4.2Å; Y103-M110 HydrophobicContact CG-CG 3.71Å; Y103-M110 HydrophobicContact CG-SD 3.44Å |
| 104 | K | 51.3 | Low | 51.7 | Low | 163 Ų | 163 | 88.4 Ų | 88.4 | 71% | 0.709 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -38.9 | 173.8 | -172.2 | -179.8 | 178.1 | -169.5 | 0 | 112 | A100 G101 A106 | A100-K104 WeakPolarHBondContact O-CB 3.3Å; A100-K104 PolarHBondContact O-N 3.37Å; G101-K104 PolarHBondContact O-N 3.5Å; K104-A106 VanDerWaalsContact C-N 3.34Å |
| 105 | A | 55 | Low | 51.4 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 78% | 0.777 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.3 | -27.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G101 V102 | G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 3.47Å; V102-A105 PolarHBondContact O-N 2.93Å |
| 106 | A | 53.5 | Low | 51 | Low | 67 Ų | 67 | 85.3 Ų | 85.3 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | V102 Y103 K104 K108 | V102-A106 WeakPolarHBondContact O-CB 3.21Å; V102-A106 PolarHBondContact O-N 2.78Å; Y103-A106 PolarHBondContact O-N 2.78Å; K104-A106 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 2.85Å; A106-K108 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 50.3 | Low | 51 | Low | 78 Ų | 78 | 88.4 Ų | 88.4 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 16.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y103 | Y103-G107 PolarHBondContact O-N 3.26Š|
| 108 | K | 41.1 | Very low | 51 | Low | 163 Ų | 163 | 92.1 Ų | 92.1 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | trans | -108 | 136.8 | -174.6 | -121.5 | 175 | 179 | 164.1 | 0 | 110.3 | A106 M110 | A106-K108 PolarHBondContact O-N 2.85Å; A106-K108 VanDerWaalsContact O-N 3.12Å; K108-M110 PolarHBondContact O-N 3.46Å | ||
| 109 | R | 44.4 | Very low | 50.6 | Low | 235 Ų | 235 | 90.9 Ų | 90.9 | 89% | 0.887 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -71 | 127.9 | 174.2 | -67.6 | -162.4 | -125.7 | -150.4 | 2.7 | 110.1 | ||
| 110 | M | 39.4 | Very low | 50.3 | Low | 58 Ų | 58 | 93 Ų | 93 | 29% | 0.286 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 121.7 | -176.1 | -163.1 | 165.7 | -172.4 | 0 | 0 | 111 | I99 Y103 K108 A115 | I99-M110 HydrophobicContact CG2-CE 3.16Å; I99-M110 HydrophobicContact CG2-SD 4.15Å; Y103-M110 HydrophobicContact CD1-CB 3.35Å; Y103-M110 HydrophobicContact CD1-CG 3.51Å; Y103-M110 HydrophobicContact CD1-SD 3.93Å; Y103-M110 HydrophobicContact CD2-CE 3.45Å; Y103-M110 VanDerWaalsContact CD2-CE 3.45Å; Y103-M110 HydrophobicContact CD2-CG 3.86Å; Y103-M110 HydrophobicContact CD2-SD 3.32Å; Y103-M110 WeakPolarHBondContact CD2-SD 3.24Å; Y103-M110 VanDerWaalsContact CE1-CA 3.44Å; Y103-M110 HydrophobicContact CE1-CB 3.54Å; Y103-M110 HydrophobicContact CE1-CG 3.41Å; Y103-M110 VanDerWaalsContact CE1-CG 3.41Å; Y103-M110 HydrophobicContact CE1-SD 4.23Å; Y103-M110 HydrophobicContact CE2-CE 3.27Å; Y103-M110 HydrophobicContact CE2-CG 3.76Å; Y103-M110 HydrophobicContact CE2-SD 3.66Å; Y103-M110 HydrophobicContact CG-CB 3.86Å; Y103-M110 HydrophobicContact CG-CE 4.2Å; Y103-M110 HydrophobicContact CG-CG 3.71Å; Y103-M110 HydrophobicContact CG-SD 3.44Å; K108-M110 PolarHBondContact O-N 3.46Å; M110-A115 HydrophobicContact CE-CB 4.01Å |
| 111 | I | 48.7 | Very low | 50.3 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 125 | 171.6 | -92.9 | 167.9 | 0 | 0 | 0 | 108.3 | L113 E114 | I111-L113 HydrophobicContact CG2-CB 3.69Å; I111-L113 HydrophobicContact CG2-CG 4.47Å; I111-L113 PolarHBondContact O-N 3.37Å; I111-L113 VanDerWaalsContact O-N 3.07Å; I111-E114 HydrophobicContact CG2-CG 4.23Å; I111-E114 PolarHBondContact O-N 3.43Å; I111-E114 VanDerWaalsContact O-N 3.12Å |
| 112 | S | 44.2 | Very low | 50.3 | Low | 104 Ų | 104 | 95 Ų | 95 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58 | -21.2 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | L116 | S112-L116 VanDerWaalsContact O-CB 3.3Å; S112-L116 WeakPolarHBondContact O-CB 3.47Å; S112-L116 PolarHBondContact O-N 3.09Å |
| 113 | L | 45.1 | Very low | 50 | Low | 121 Ų | 121 | 93 Ų | 93 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.2 | -33 | 176.9 | -75.6 | 163.9 | 0 | 0 | 0 | 113.1 | I111 L116 V117 | I111-L113 HydrophobicContact CG2-CB 3.69Å; I111-L113 HydrophobicContact CG2-CG 4.47Å; I111-L113 PolarHBondContact O-N 3.37Å; I111-L113 VanDerWaalsContact O-N 3.07Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; L113-L116 WeakPolarHBondContact O-CB 3.18Å; L113-L116 PolarHBondContact O-N 3.11Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 3.43Å |
| 114 | E | 45.2 | Very low | 49.8 | Very low | 94 Ų | 94 | 96.3 Ų | 96.3 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.9 | -43.9 | 178 | -68.7 | -80.5 | 127.6 | 0 | 0 | 110.3 | I111 L116 V117 F118 | I111-E114 HydrophobicContact CG2-CG 4.23Å; I111-E114 PolarHBondContact O-N 3.43Å; I111-E114 VanDerWaalsContact O-N 3.12Å; E114-L116 VanDerWaalsContact C-N 3.28Å; E114-L116 PolarHBondContact O-N 3.45Å; E114-V117 PolarHBondContact O-N 2.82Å; E114-F118 WeakPolarHBondContact O-CD2 3.46Å; E114-F118 PolarHBondContact O-N 3.47Å |
| 115 | A | 51.2 | Low | 50 | Low | 21 Ų | 21 | 92 Ų | 92 | 17% | 0.174 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M110 G119 | M110-A115 HydrophobicContact CE-CB 4.01Å; A115-G119 PolarHBondContact O-N 3.41Å |
| 116 | L | 49.9 | Very low | 50 | Low | 88 Ų | 88 | 90.9 Ų | 90.9 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.5 | -171.9 | 111.9 | 0 | 0 | 0 | 111.4 | S112 L113 E114 G119 V120 | S112-L116 VanDerWaalsContact O-CB 3.3Å; S112-L116 WeakPolarHBondContact O-CB 3.47Å; S112-L116 PolarHBondContact O-N 3.09Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; L113-L116 WeakPolarHBondContact O-CB 3.18Å; L113-L116 PolarHBondContact O-N 3.11Å; E114-L116 VanDerWaalsContact C-N 3.28Å; E114-L116 PolarHBondContact O-N 3.45Å; L116-G119 PolarHBondContact O-N 3.27Å; L116-V120 HydrophobicContact CG-CG2 4.46Å; L116-V120 WeakPolarHBondContact O-CB 3.2Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 2.91Å |
| 117 | V | 53.9 | Low | 50 | Low | 91 Ų | 91 | 92.4 Ų | 92.4 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.9 | 165.7 | 0 | 0 | 0 | 0 | 111.6 | L113 E114 V120 G121 | L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.35Å; L113-V117 PolarHBondContact O-N 3.43Å; E114-V117 PolarHBondContact O-N 2.82Å; V117-V120 PolarHBondContact O-N 3.36Å; V117-G121 PolarHBondContact O-N 2.99Å |
| 118 | F | 55.3 | Low | 50.3 | Low | 121 Ų | 121 | 92.5 Ų | 92.5 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.8 | -80.5 | -65.4 | 0 | 0 | 0 | 112.5 | I99 E114 G121 Q122 | I99-F118 HydrophobicContact CD1-CB 4.36Å; E114-F118 WeakPolarHBondContact O-CD2 3.46Å; E114-F118 PolarHBondContact O-N 3.47Å; F118-G121 PolarHBondContact O-N 3.11Å; F118-Q122 WeakPolarHBondContact O-CB 3.08Å; F118-Q122 PolarHBondContact O-N 2.89Å |
| 119 | G | 52.9 | Low | 51.2 | Low | 33 Ų | 33 | 89.9 Ų | 89.9 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A115 L116 S123 | A115-G119 PolarHBondContact O-N 3.41Å; L116-G119 PolarHBondContact O-N 3.27Å; G119-S123 PolarHBondContact O-N 3.5Å; G119-S123 PolarHBondContact O-OG 2.92Å |
| 120 | V | 52.5 | Low | 51.7 | Low | 92 Ų | 92 | 82.2 Ų | 82.2 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L116 V117 Q122 S123 F124 | L116-V120 HydrophobicContact CG-CG2 4.46Å; L116-V120 WeakPolarHBondContact O-CB 3.2Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 2.91Å; V117-V120 PolarHBondContact O-N 3.36Å; V120-Q122 PolarHBondContact O-N 3.41Å; V120-S123 PolarHBondContact O-N 2.65Å; V120-F124 WeakPolarHBondContact O-CB 3.33Å; V120-F124 PolarHBondContact O-N 3.49Å |
| 121 | G | 54.6 | Low | 52.4 | Low | 32 Ų | 32 | 87 Ų | 87 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V117 F118 F124 C125 | V117-G121 PolarHBondContact O-N 2.99Å; F118-G121 PolarHBondContact O-N 3.11Å; G121-F124 PolarHBondContact O-N 2.86Å; G121-C125 PolarHBondContact O-N 2.69Å; G121-C125 PolarHBondContact O-SG 3.02Å |
| 122 | Q | 53.4 | Low | 52.7 | Low | 70 Ų | 70 | 86.9 Ų | 86.9 | 33% | 0.327 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 177.8 | -157.3 | 174.6 | 20.9 | 0 | 0 | 111.6 | T95 F118 V120 F124 C125 V126 | T95-Q122 PolarHBondContact OG1-NE2 3.12Å; T95-Q122 VanDerWaalsContact OG1-NE2 3.11Å; F118-Q122 WeakPolarHBondContact O-CB 3.08Å; F118-Q122 PolarHBondContact O-N 2.89Å; V120-Q122 PolarHBondContact O-N 3.41Å; Q122-F124 VanDerWaalsContact C-N 3.35Å; Q122-F124 PolarHBondContact O-N 2.89Å; Q122-C125 PolarHBondContact O-N 2.96Å; Q122-V126 WeakPolarHBondContact O-CG2 3.19Å; Q122-V126 PolarHBondContact O-N 2.93Å; Q122-V126 VanDerWaalsContact O-N 3.08Å |
| 123 | S | 51.7 | Low | 53.2 | Low | 57 Ų | 57 | 91 Ų | 91 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | G119 V120 L127 | G119-S123 PolarHBondContact O-N 3.5Å; G119-S123 PolarHBondContact O-OG 2.92Å; V120-S123 PolarHBondContact O-N 2.65Å; S123-L127 WeakPolarHBondContact O-CB 3.34Å; S123-L127 PolarHBondContact O-N 2.95Å; S123-L127 VanDerWaalsContact O-N 3.11Å |
| 124 | F | 52.9 | Low | 53.5 | Low | 131 Ų | 131 | 89.4 Ų | 89.4 | 58% | 0.575 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65 | -44.1 | 177.2 | -172.8 | -106.2 | 0 | 0 | 0 | 112.6 | V120 G121 Q122 L127 I128 | V120-F124 WeakPolarHBondContact O-CB 3.33Å; V120-F124 PolarHBondContact O-N 3.49Å; G121-F124 PolarHBondContact O-N 2.86Å; Q122-F124 VanDerWaalsContact C-N 3.35Å; Q122-F124 PolarHBondContact O-N 2.89Å; F124-L127 VanDerWaalsContact O-CB 3.26Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 2.98Å; F124-I128 HydrophobicContact CD1-CD1 3.95Å; F124-I128 HydrophobicContact CE1-CD1 3.52Å; F124-I128 HydrophobicContact CE1-CG1 4.48Å; F124-I128 HydrophobicContact CZ-CD1 4.01Å; F124-I128 PolarHBondContact O-N 3Å; F124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | C | 53.9 | Low | 53.7 | Low | 73 Ų | 73 | 90.6 Ų | 90.6 | 49% | 0.493 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 177 | -76 | 0 | 0 | 0 | 0 | 112.7 | G121 Q122 L127 I128 I129 | G121-C125 PolarHBondContact O-N 2.69Å; G121-C125 PolarHBondContact O-SG 3.02Å; Q122-C125 PolarHBondContact O-N 2.96Å; C125-L127 VanDerWaalsContact C-N 3.27Å; C125-L127 PolarHBondContact O-N 3.47Å; C125-I128 PolarHBondContact O-N 3.31Å; C125-I129 WeakPolarHBondContact O-CG1 3.38Å; C125-I129 PolarHBondContact O-N 2.97Å |
| 126 | V | 56 | Low | 53.4 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | Q122 I129 S130 | Q122-V126 WeakPolarHBondContact O-CG2 3.19Å; Q122-V126 PolarHBondContact O-N 2.93Å; Q122-V126 VanDerWaalsContact O-N 3.08Å; V126-I129 PolarHBondContact O-N 3.3Å; V126-S130 WeakPolarHBondContact O-CB 3.29Å; V126-S130 PolarHBondContact O-N 2.97Å |
| 127 | L | 54.3 | Low | 53.3 | Low | 99 Ų | 99 | 95.2 Ų | 95.2 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.2 | -131 | 157.7 | 0 | 0 | 0 | 111.7 | S123 F124 C125 S130 F131 | S123-L127 WeakPolarHBondContact O-CB 3.34Å; S123-L127 PolarHBondContact O-N 2.95Å; S123-L127 VanDerWaalsContact O-N 3.11Å; F124-L127 VanDerWaalsContact O-CB 3.26Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 2.98Å; C125-L127 VanDerWaalsContact C-N 3.27Å; C125-L127 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 2.88Å; L127-F131 PolarHBondContact O-N 2.93Å |
| 128 | I | 55.2 | Low | 52.7 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -47.5 | 177.3 | -70.2 | 176.3 | 0 | 0 | 0 | 111.2 | F124 C125 S130 F131 L132 | F124-I128 HydrophobicContact CD1-CD1 3.95Å; F124-I128 HydrophobicContact CE1-CD1 3.52Å; F124-I128 HydrophobicContact CE1-CG1 4.48Å; F124-I128 HydrophobicContact CZ-CD1 4.01Å; F124-I128 PolarHBondContact O-N 3Å; F124-I128 VanDerWaalsContact O-N 3.08Å; C125-I128 PolarHBondContact O-N 3.31Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.4Å; I128-F131 WeakPolarHBondContact O-CB 3.24Å; I128-F131 PolarHBondContact O-N 3.04Å; I128-L132 HydrophobicContact CG2-CD1 3.81Å; I128-L132 HydrophobicContact CG2-CG 4.32Å; I128-L132 WeakPolarHBondContact O-CB 3.26Å; I128-L132 VanDerWaalsContact O-CG 3.31Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.49Å |
| 129 | I | 60.3 | Low | 52.6 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 56% | 0.559 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.2 | -40.6 | 178.7 | -67.2 | 174.3 | 0 | 0 | 0 | 110.7 | C125 V126 F131 L132 R133 | C125-I129 WeakPolarHBondContact O-CG1 3.38Å; C125-I129 PolarHBondContact O-N 2.97Å; V126-I129 PolarHBondContact O-N 3.3Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 3.44Å; I129-L132 PolarHBondContact O-N 3.02Å; I129-R133 WeakPolarHBondContact O-CB 3.36Å; I129-R133 PolarHBondContact O-N 2.89Å |
| 130 | S | 55.4 | Low | 52.6 | Low | 73 Ų | 73 | 102.6 Ų | 102.6 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -38.5 | 178.1 | -145.8 | 0 | 0 | 0 | 0 | 111.5 | V126 L127 I128 V134 | V126-S130 WeakPolarHBondContact O-CB 3.29Å; V126-S130 PolarHBondContact O-N 2.97Å; L127-S130 PolarHBondContact O-N 2.88Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.4Å; S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.06Å |
| 131 | F | 53.2 | Low | 52.6 | Low | 160 Ų | 160 | 103.2 Ų | 103.2 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -46.5 | 174.8 | -131.9 | -87.9 | 0 | 0 | 0 | 112.1 | L127 I128 I129 R133 V134 L135 | L127-F131 PolarHBondContact O-N 2.93Å; I128-F131 WeakPolarHBondContact O-CB 3.24Å; I128-F131 PolarHBondContact O-N 3.04Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 3.44Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 2.92Å; F131-V134 PolarHBondContact O-N 3.46Å; F131-L135 PolarHBondContact O-N 3Å; F131-L135 VanDerWaalsContact O-N 3.09Å |
| 132 | L | 55 | Low | 52.5 | Low | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -37.5 | 177.5 | -72 | 170.9 | 0 | 0 | 0 | 112 | I128 I129 L135 A136 | I128-L132 HydrophobicContact CG2-CD1 3.81Å; I128-L132 HydrophobicContact CG2-CG 4.32Å; I128-L132 WeakPolarHBondContact O-CB 3.26Å; I128-L132 VanDerWaalsContact O-CG 3.31Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.49Å; I129-L132 PolarHBondContact O-N 3.02Å; L132-L135 PolarHBondContact O-N 3.32Å; L132-A136 WeakPolarHBondContact O-CB 3.34Å; L132-A136 PolarHBondContact O-N 3.35Å |
| 133 | R | 56.1 | Low | 52.4 | Low | 190 Ų | 190 | 109.7 Ų | 109.7 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.6 | -42.6 | 179.4 | -162.4 | -175.2 | -163.5 | 151.8 | 4.7 | 112 | I129 F131 L135 A136 T137 | I129-R133 WeakPolarHBondContact O-CB 3.36Å; I129-R133 PolarHBondContact O-N 2.89Å; F131-R133 VanDerWaalsContact C-N 3.3Å; F131-R133 PolarHBondContact O-N 2.92Å; R133-L135 VanDerWaalsContact C-N 3.34Å; R133-A136 PolarHBondContact O-N 2.96Å; R133-T137 PolarHBondContact O-N 3.38Å; R133-T137 PolarHBondContact O-OG1 2.99Å |
| 134 | V | 51.4 | Low | 52.5 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | S130 F131 A136 T137 L138 | S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.06Å; F131-V134 PolarHBondContact O-N 3.46Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.35Å; V134-T137 PolarHBondContact O-N 3.12Å; V134-T137 PolarHBondContact O-OG1 3.4Å; V134-L138 HydrophobicContact CG1-CD1 4.47Å; V134-L138 PolarHBondContact O-N 3.34Å |
| 135 | L | 48.9 | Very low | 52.5 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64 | -34.8 | 176.5 | -170.2 | 68.3 | 0 | 0 | 0 | 112.8 | F131 L132 R133 T137 L138 | F131-L135 PolarHBondContact O-N 3Å; F131-L135 VanDerWaalsContact O-N 3.09Å; L132-L135 PolarHBondContact O-N 3.32Å; R133-L135 VanDerWaalsContact C-N 3.34Å; L135-T137 VanDerWaalsContact C-N 3.3Å; L135-T137 PolarHBondContact O-N 2.93Å; L135-L138 PolarHBondContact O-N 3.27Å |
| 136 | A | 43.8 | Very low | 52.4 | Low | 84 Ų | 84 | 114.9 Ų | 114.9 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.5 | -17.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L132 R133 V134 | L132-A136 WeakPolarHBondContact O-CB 3.34Å; L132-A136 PolarHBondContact O-N 3.35Å; R133-A136 PolarHBondContact O-N 2.96Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.35Å |
| 137 | T | 47.6 | Very low | 52 | Low | 121 Ų | 121 | 118.6 Ų | 118.6 | 74% | 0.742 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -1.8 | 175.7 | 34.4 | 0 | 0 | 0 | 0 | 114 | R133 V134 L135 | R133-T137 PolarHBondContact O-N 3.38Å; R133-T137 PolarHBondContact O-OG1 2.99Å; V134-T137 PolarHBondContact O-N 3.12Å; V134-T137 PolarHBondContact O-OG1 3.4Å; L135-T137 VanDerWaalsContact C-N 3.3Å; L135-T137 PolarHBondContact O-N 2.93Å |
| 138 | L | 43.4 | Very low | 51.8 | Low | 195 Ų | 195 | 120.4 Ų | 120.4 | 100% | 1.021 | 64% | 0.642 | S | S | * | * | trans | -97.1 | 0 | 174 | -114.2 | 138.5 | 0 | 0 | 0 | 110 | V134 L135 | V134-L138 HydrophobicContact CG1-CD1 4.47Å; V134-L138 PolarHBondContact O-N 3.34Å; L135-L138 PolarHBondContact O-N 3.27Å |
Retrieved 138 of 138 residues in 306.2 ms
(Link to these results)