| 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 | 40.9 | Very low | 50.6 | Low | 234 Ų | 234 | 126 Ų | 126 | 100% | 1.153 | 70% | 0.702 | S | S | * | * | 0 | 116.1 | 0 | -65.7 | -52.3 | -176.3 | 0 | 0 | 108.5 | |||||
| 2 | A | 39.8 | Very low | 51 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | trans | -79.1 | 149.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.37Š| ||
| 3 | W | 44.7 | Very low | 51.6 | Low | 228 Ų | 228 | 120.5 Ų | 120.5 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -99.8 | 100.5 | 173.8 | -79.6 | 44.6 | 0 | 0 | 0 | 111.1 | ||||
| 4 | P | 50.4 | Low | 52 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 69% | 0.686 | S | S | * | * | trans | -76.2 | 133.1 | 148.1 | 36.3 | -32.8 | 0 | 0 | 0 | 106.8 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.37Š| ||
| 5 | C | 49.8 | Very low | 51.9 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 51% | 0.507 | 68% | 0.678 | S | S | . | * | -168.9 | 21.7 | 65.9 | -95.3 | 0 | 0 | 0 | 0 | 113.2 | S7 R8 | C5-S7 PolarHBondContact O-N 3.21Å; C5-R8 PolarHBondContact O-N 2.73Å | |||
| 6 | I | 53.6 | Low | 52 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -53.3 | -34.6 | -171.2 | -66.3 | 174.4 | 0 | 0 | 0 | 112.8 | R8 | I6-R8 PolarHBondContact O-N 3.38Å |
| 7 | S | 53.7 | Low | 52.2 | Low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59 | -39.7 | 173.3 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | C5 A9 C10 C11 | C5-S7 PolarHBondContact O-N 3.21Å; S7-A9 PolarHBondContact O-N 3.27Å; S7-C10 WeakPolarHBondContact O-CB 3.34Å; S7-C10 PolarHBondContact O-N 3.07Å; S7-C11 PolarHBondContact O-N 3.11Å; S7-C11 PolarHBondContact O-SG 3.04Å |
| 8 | R | 59.3 | Low | 52.2 | Low | 185 Ų | 185 | 128.1 Ų | 128.1 | 70% | 0.698 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.1 | -32.2 | -172.5 | -163 | 166.3 | -175.6 | 125.2 | 0.2 | 112.9 | C5 I6 C11 M12 | C5-R8 PolarHBondContact O-N 2.73Å; I6-R8 PolarHBondContact O-N 3.38Å; R8-C11 PolarHBondContact O-N 3.38Å; R8-M12 PolarHBondContact O-N 2.9Å; R8-M12 VanDerWaalsContact O-N 3.13Å |
| 9 | A | 55.5 | Low | 52.1 | Low | 70 Ų | 70 | 125.4 Ų | 125.4 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S7 M12 A13 | S7-A9 PolarHBondContact O-N 3.27Å; A9-M12 PolarHBondContact O-N 3.08Å; A9-A13 PolarHBondContact O-N 3.29Å |
| 10 | C | 55.3 | Low | 52.1 | Low | 81 Ų | 81 | 124.6 Ų | 124.6 | 55% | 0.547 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.8 | -40 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | S7 M12 A13 R14 | S7-C10 WeakPolarHBondContact O-CB 3.34Å; S7-C10 PolarHBondContact O-N 3.07Å; C10-M12 PolarHBondContact O-N 3.47Å; C10-A13 PolarHBondContact O-N 3.09Å; C10-R14 PolarHBondContact O-N 3.11Å; C10-R14 VanDerWaalsContact O-N 3.11Å |
| 11 | C | 54 | Low | 52 | Low | 84 Ų | 84 | 126.6 Ų | 126.6 | 57% | 0.568 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60 | -42.2 | 173.5 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | S7 R8 R14 F15 | S7-C11 PolarHBondContact O-N 3.11Å; S7-C11 PolarHBondContact O-SG 3.04Å; R8-C11 PolarHBondContact O-N 3.38Å; C11-R14 PolarHBondContact O-N 2.97Å; C11-F15 PolarHBondContact O-N 3.41Å; C11-F15 VanDerWaalsContact O-N 3.09Å |
| 12 | M | 55.5 | Low | 52.4 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -48.8 | 175.9 | -71.2 | -175.2 | 68 | 0 | 0 | 111.6 | R8 A9 C10 R14 F15 W16 | R8-M12 PolarHBondContact O-N 2.9Å; R8-M12 VanDerWaalsContact O-N 3.13Å; A9-M12 PolarHBondContact O-N 3.08Å; C10-M12 PolarHBondContact O-N 3.47Å; M12-R14 PolarHBondContact O-N 2.96Å; M12-R14 VanDerWaalsContact O-N 3.15Å; M12-F15 PolarHBondContact O-N 3.33Å; M12-W16 VanDerWaalsContact O-CD1 3.26Å; M12-W16 PolarHBondContact O-N 3.13Å |
| 13 | A | 58.1 | Low | 52.9 | Low | 68 Ų | 68 | 119.5 Ų | 119.5 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.5 | -35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A9 C10 N17 | A9-A13 PolarHBondContact O-N 3.29Å; C10-A13 PolarHBondContact O-N 3.09Å; A13-N17 PolarHBondContact O-N 3.47Å |
| 14 | R | 58.2 | Low | 53.1 | Low | 201 Ų | 201 | 114.8 Ų | 114.8 | 76% | 0.758 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76 | -35.4 | 177.6 | -146.2 | 174.8 | -173.6 | 120.5 | -0.3 | 113.3 | C10 C11 M12 Q18 | C10-R14 PolarHBondContact O-N 3.11Å; C10-R14 VanDerWaalsContact O-N 3.11Å; C11-R14 PolarHBondContact O-N 2.97Å; M12-R14 PolarHBondContact O-N 2.96Å; M12-R14 VanDerWaalsContact O-N 3.15Å; R14-Q18 PolarHBondContact O-N 3.44Å |
| 15 | F | 50.3 | Low | 52.9 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -43.6 | 177.6 | -168.3 | -100.5 | 0 | 0 | 0 | 112.1 | C11 M12 N17 Q18 L19 | C11-F15 PolarHBondContact O-N 3.41Å; C11-F15 VanDerWaalsContact O-N 3.09Å; M12-F15 PolarHBondContact O-N 3.33Å; F15-N17 PolarHBondContact O-N 3.42Å; F15-Q18 PolarHBondContact O-N 3.35Å; F15-Q18 VanDerWaalsContact O-N 3.15Å; F15-L19 HydrophobicContact CD1-CD1 3.89Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CZ-CD1 4.43Å; F15-L19 PolarHBondContact O-N 3.2Å |
| 16 | W | 52.6 | Low | 52.8 | Low | 174 Ų | 174 | 115.2 Ų | 115.2 | 66% | 0.659 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 177.7 | -78.3 | 73.3 | 0 | 0 | 0 | 112.4 | M12 Q18 L19 D20 | M12-W16 VanDerWaalsContact O-CD1 3.26Å; M12-W16 PolarHBondContact O-N 3.13Å; W16-Q18 PolarHBondContact O-N 3.31Å; W16-Q18 VanDerWaalsContact O-N 3.17Å; W16-L19 PolarHBondContact O-N 3.24Å; W16-D20 PolarHBondContact O-N 2.91Å |
| 17 | N | 56.8 | Low | 52.4 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 48% | 0.481 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.9 | -15.8 | 176.1 | -150.2 | -72.3 | 0 | 0 | 0 | 113.5 | A13 F15 K21 | A13-N17 PolarHBondContact O-N 3.47Å; F15-N17 PolarHBondContact O-N 3.42Å; N17-K21 VanDerWaalsContact OD1-CE 3.32Å; N17-K21 WeakPolarHBondContact OD1-CE 3.38Å; N17-K21 PolarHBondContact OD1-NZ 3.1Å |
| 18 | Q | 50.7 | Low | 52.2 | Low | 144 Ų | 144 | 117.2 Ų | 117.2 | 67% | 0.673 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -91.8 | -33 | 179.9 | -158.9 | 165.9 | 14.1 | 0 | 0 | 112.2 | R14 F15 W16 | R14-Q18 PolarHBondContact O-N 3.44Å; F15-Q18 PolarHBondContact O-N 3.35Å; F15-Q18 VanDerWaalsContact O-N 3.15Å; W16-Q18 PolarHBondContact O-N 3.31Å; W16-Q18 VanDerWaalsContact O-N 3.17Å |
| 19 | L | 51.8 | Low | 51.9 | Low | 76 Ų | 76 | 113.7 Ų | 113.7 | 40% | 0.398 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68 | -46.4 | 170.8 | -81.7 | 156.9 | 0 | 0 | 0 | 112.2 | F15 W16 K21 A22 D23 | F15-L19 HydrophobicContact CD1-CD1 3.89Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CZ-CD1 4.43Å; F15-L19 PolarHBondContact O-N 3.2Å; W16-L19 PolarHBondContact O-N 3.24Å; L19-K21 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 3.34Å; L19-D23 WeakPolarHBondContact CD2-OD2 3.46Å; L19-D23 PolarHBondContact O-N 3.18Å |
| 20 | D | 52.3 | Low | 51.1 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -18.5 | -178 | -114 | 8.5 | 0 | 0 | 0 | 114.3 | W16 I24 | W16-D20 PolarHBondContact O-N 2.91Å; D20-I24 WeakPolarHBondContact O-CD1 3.25Å |
| 21 | K | 48.6 | Very low | 50.8 | Low | 167 Ų | 167 | 120.5 Ų | 120.5 | 73% | 0.726 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -3.5 | -177.1 | -61.1 | -173.4 | -176.7 | -177.5 | 0 | 114.3 | N17 L19 | N17-K21 VanDerWaalsContact OD1-CE 3.32Å; N17-K21 WeakPolarHBondContact OD1-CE 3.38Å; N17-K21 PolarHBondContact OD1-NZ 3.1Å; L19-K21 PolarHBondContact O-N 3.45Å |
| 22 | A | 48.7 | Very low | 50 | Low | 63 Ų | 63 | 124.9 Ų | 124.9 | 52% | 0.521 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.1 | -46.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L19 | L19-A22 PolarHBondContact O-N 3.34Š|
| 23 | D | 51.2 | Low | 49.4 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -98.9 | -0.2 | -164.6 | -68.7 | -36.6 | 0 | 0 | 0 | 115.2 | L19 A25 | L19-D23 WeakPolarHBondContact CD2-OD2 3.46Å; L19-D23 PolarHBondContact O-N 3.18Å; D23-A25 PolarHBondContact O-N 2.99Å |
| 24 | I | 48.4 | Very low | 48.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 67% | 0.667 | 67% | 0.666 | S | S | * | * | trans | -84.9 | 42.4 | 171.3 | -39.3 | -176.8 | 0 | 0 | 0 | 111 | D20 | D20-I24 WeakPolarHBondContact O-CD1 3.25Š| ||
| 25 | A | 47.3 | Very low | 48.4 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 65% | 0.653 | 66% | 0.662 | S | S | * | * | trans | -108.2 | 46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D23 P27 | D23-A25 PolarHBondContact O-N 2.99Å; A25-P27 VanDerWaalsContact O-CD 3.26Å; A25-P27 WeakPolarHBondContact O-CD 3.17Å | ||
| 26 | V | 46.6 | Very low | 48.3 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | trans | -63.4 | 119.4 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | L28 | V26-L28 PolarHBondContact O-N 2.8Š| ||
| 27 | P | 44.8 | Very low | 48.3 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | trans | -67.9 | 110.1 | -178.4 | -21.3 | 34.4 | 0 | 0 | 0 | 111.4 | A25 V29 | A25-P27 VanDerWaalsContact O-CD 3.26Å; A25-P27 WeakPolarHBondContact O-CD 3.17Å; P27-V29 HydrophobicContact CB-CG2 4.32Å; P27-V29 PolarHBondContact O-N 3.46Å | ||
| 28 | L | 51.5 | Low | 47.9 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 87% | 0.869 | 66% | 0.661 | S | S | * | * | trans | -74.4 | 65.8 | 173.7 | -74.9 | 170.8 | 0 | 0 | 0 | 111.3 | V26 | V26-L28 PolarHBondContact O-N 2.8Š| ||
| 29 | V | 51 | Low | 47.8 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 67% | 0.667 | 66% | 0.663 | S | S | * | * | trans | -127.2 | 54.1 | -179.8 | -164 | 0 | 0 | 0 | 0 | 110.4 | P27 T31 | P27-V29 HydrophobicContact CB-CG2 4.32Å; P27-V29 PolarHBondContact O-N 3.46Å; V29-T31 HydrophobicContact CG1-CG2 4.34Å; V29-T31 PolarHBondContact O-N 3.23Å; V29-T31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | F | 39.3 | Very low | 47.7 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | trans | -76.5 | 93.2 | 169.8 | -85.8 | -76.8 | 0 | 0 | 0 | 110.7 | K32 | F30-K32 PolarHBondContact O-N 3.05Å; F30-K32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | T | 48.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | trans | -76.8 | 98.4 | 174.2 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | V29 | V29-T31 HydrophobicContact CG1-CG2 4.34Å; V29-T31 PolarHBondContact O-N 3.23Å; V29-T31 VanDerWaalsContact O-N 3.12Å | ||
| 32 | K | 37.5 | Very low | 47.3 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | 79.1 | 137.7 | 169.3 | -50.1 | 174.4 | -176.5 | 176.5 | 0 | 115.5 | F30 T34 | F30-K32 PolarHBondContact O-N 3.05Å; F30-K32 VanDerWaalsContact O-N 3.14Å; K32-T34 VanDerWaalsContact C-N 3.26Å; K32-T34 PolarHBondContact O-N 3.41Å; K32-T34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | Y | 42.8 | Very low | 47 | Very low | 228 Ų | 228 | 131.6 Ų | 131.6 | 89% | 0.894 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 16.5 | -168.5 | -82.1 | -90.3 | 0 | 0 | 0 | 116.1 | ||
| 34 | T | 48.1 | Very low | 46.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 63% | 0.632 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -44.3 | -173.7 | -37.8 | 0 | 0 | 0 | 0 | 112.9 | K32 V36 S37 | K32-T34 VanDerWaalsContact C-N 3.26Å; K32-T34 PolarHBondContact O-N 3.41Å; K32-T34 VanDerWaalsContact O-N 3.11Å; T34-V36 VanDerWaalsContact C-N 3.33Å; T34-V36 PolarHBondContact O-N 3.37Å; T34-S37 PolarHBondContact O-N 3.29Å |
| 35 | D | 47.3 | Very low | 45.7 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -60.5 | -36.9 | -168.6 | -123 | -33.9 | 0 | 0 | 0 | 113.8 | S37 E38 M39 | D35-S37 PolarHBondContact O-N 3.09Å; D35-E38 PolarHBondContact O-N 3.27Å; D35-M39 PolarHBondContact O-N 2.89Å |
| 36 | V | 49.1 | Very low | 45.2 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -63.1 | -27.3 | -175.5 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | T34 | T34-V36 VanDerWaalsContact C-N 3.33Å; T34-V36 PolarHBondContact O-N 3.37Å |
| 37 | S | 52.2 | Low | 44.5 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -79.6 | -40.7 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | T34 D35 Q40 H41 | T34-S37 PolarHBondContact O-N 3.29Å; D35-S37 PolarHBondContact O-N 3.09Å; S37-Q40 PolarHBondContact O-N 3.22Å; S37-H41 PolarHBondContact O-N 3Å |
| 38 | E | 47.8 | Very low | 44 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 57% | 0.57 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70.2 | -40.8 | -175.1 | -170.4 | 157.3 | -172.1 | 0 | 0 | 111.6 | D35 Q40 H41 I42 | D35-E38 PolarHBondContact O-N 3.27Å; E38-Q40 VanDerWaalsContact C-N 3.29Å; E38-Q40 PolarHBondContact O-N 3.17Å; E38-H41 PolarHBondContact O-N 3.44Å; E38-H41 VanDerWaalsContact O-N 3.12Å; E38-I42 HydrophobicContact CG-CD1 4.03Å; E38-I42 WeakPolarHBondContact O-CG1 3.38Å; E38-I42 PolarHBondContact O-N 2.72Å |
| 39 | M | 48.9 | Very low | 43.2 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -60.7 | -33.7 | 178.5 | -161.4 | 178.4 | -170.3 | 0 | 0 | 113.4 | D35 | D35-M39 PolarHBondContact O-N 2.89Å |
| 40 | Q | 50.2 | Low | 42.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75 | -32.3 | 177 | -65.5 | -173.2 | 19 | 0 | 0 | 112.6 | S37 E38 | S37-Q40 PolarHBondContact O-N 3.22Å; E38-Q40 VanDerWaalsContact C-N 3.29Å; E38-Q40 PolarHBondContact O-N 3.17Å |
| 41 | H | 44.3 | Very low | 42.2 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -83.1 | -19.9 | -172.4 | -145.6 | -55 | 0 | 0 | 0 | 113.7 | S37 E38 | S37-H41 PolarHBondContact O-N 3Å; E38-H41 PolarHBondContact O-N 3.44Å; E38-H41 VanDerWaalsContact O-N 3.12Å |
| 42 | I | 47.9 | Very low | 41.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.1 | -37.9 | 176.1 | -67.2 | 166.9 | 0 | 0 | 0 | 111.6 | E38 L44 | E38-I42 HydrophobicContact CG-CD1 4.03Å; E38-I42 WeakPolarHBondContact O-CG1 3.38Å; E38-I42 PolarHBondContact O-N 2.72Å; I42-L44 VanDerWaalsContact C-N 3.33Å; I42-L44 PolarHBondContact O-N 2.76Å |
| 43 | Q | 42 | Very low | 41.5 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.5 | -170.5 | -168.1 | 164.7 | -27.2 | 0 | 0 | 114.7 | ||
| 44 | L | 40.3 | Very low | 41 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 7.5 | -176.5 | -70 | 176.9 | 0 | 0 | 0 | 115.2 | I42 P46 | I42-L44 VanDerWaalsContact C-N 3.33Å; I42-L44 PolarHBondContact O-N 2.76Å; L44-P46 WeakPolarHBondContact O-CD 3.49Å |
| 45 | Q | 32.8 | Very low | 40.6 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | trans | -100.6 | 113.8 | 174.9 | -166.6 | 179.8 | 102 | 0 | 0 | 111.5 | S47 | Q45-S47 PolarHBondContact O-N 3.42Š| ||
| 46 | P | 35.9 | Very low | 40 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -64.9 | 121.4 | 169 | -18.5 | 32.1 | 0 | 0 | 0 | 109.8 | L44 L48 | L44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-L48 PolarHBondContact O-N 2.68Å; P46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | S | 31.3 | Very low | 39.6 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -68.8 | 108.3 | -177.7 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | Q45 H49 | Q45-S47 PolarHBondContact O-N 3.42Å; S47-H49 PolarHBondContact O-N 2.83Å | ||
| 48 | L | 35.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -61.5 | 108.9 | 174.3 | -71.9 | 172 | 0 | 0 | 0 | 109.7 | P46 | P46-L48 PolarHBondContact O-N 2.68Å; P46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 49 | H | 33.1 | Very low | 38.6 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 139.1 | 175.1 | -99.2 | 58.6 | 0 | 0 | 0 | 111.2 | S47 | S47-H49 PolarHBondContact O-N 2.83Š| ||
| 50 | P | 37.7 | Very low | 38 | Very low | 98 Ų | 98 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 149.7 | 171.9 | 28.9 | -34.6 | 0 | 0 | 0 | 110.8 | Q52 | P50-Q52 PolarHBondContact O-N 2.84Š| ||
| 51 | P | 32.9 | Very low | 37.5 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -75 | 96.1 | -172.9 | 30.1 | -35.4 | 0 | 0 | 0 | 111.9 | ||||
| 52 | Q | 37.8 | Very low | 36.9 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 143.4 | 164.9 | -68.2 | -166.3 | -8.2 | 0 | 0 | 110.8 | P50 R54 | P50-Q52 PolarHBondContact O-N 2.84Å; Q52-R54 PolarHBondContact O-N 3.49Å | ||
| 53 | A | 33.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 129.1 | -164 | 0 | 0 | 0 | 0 | 0 | 113.3 | V55 | A53-V55 PolarHBondContact O-N 3.18Š| ||
| 54 | R | 33.6 | Very low | 35.8 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -75 | 114.5 | 166.8 | -68.6 | -179.8 | 179.7 | -102.8 | -0 | 108.9 | Q52 A56 | Q52-R54 PolarHBondContact O-N 3.49Å; R54-A56 PolarHBondContact O-N 2.8Å | ||
| 55 | V | 38.7 | Very low | 35.6 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -62.8 | 125.9 | 165.2 | 177.5 | 0 | 0 | 0 | 0 | 108 | A53 | A53-V55 PolarHBondContact O-N 3.18Š| ||
| 56 | A | 35.4 | Very low | 35.7 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -74.5 | 133.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R54 | R54-A56 PolarHBondContact O-N 2.8Š| ||
| 57 | I | 38.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -115.6 | 106.4 | 159.9 | -63 | 179.6 | 0 | 0 | 0 | 106 | ||||
| 58 | E | 43.5 | Very low | 35.8 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -69.8 | 125.4 | 171.6 | -64.3 | 177.1 | 99.5 | 0 | 0 | 109.9 | ||||
| 59 | T | 35.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -165.4 | 89.6 | 139.8 | 4.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 60 | Q | 36.6 | Very low | 35.8 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -95.2 | 129.4 | 153.4 | -80.5 | -86.9 | 7 | 0 | 0 | 107.9 | ||||
| 61 | P | 41 | Very low | 35.6 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -105.5 | 125.7 | 154.6 | 32.5 | -25.1 | 0 | 0 | 0 | 110 | ||||
| 62 | S | 30.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -69.4 | 138.9 | -179.5 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | A64 | S62-A64 PolarHBondContact O-N 3.46Å; S62-A64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | R | 33.3 | Very low | 35.9 | Very low | 249 Ų | 249 | 156.1 Ų | 156.1 | 94% | 0.94 | 84% | 0.838 | S | S | * | * | trans | -82 | 88.1 | 177.2 | -170.9 | 179.9 | -171.5 | 166.7 | 3.9 | 110.6 | ||||
| 64 | A | 33.1 | Very low | 36.2 | Very low | 91 Ų | 91 | 154.2 Ų | 154.2 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -68.8 | 144.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S62 | S62-A64 PolarHBondContact O-N 3.46Å; S62-A64 VanDerWaalsContact O-N 3.12Å | ||
| 65 | E | 37.6 | Very low | 36.7 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -90.1 | 136.6 | 172.9 | -61.4 | -174 | 106.4 | 0 | 0 | 111.6 | ||||
| 66 | T | 33.6 | Very low | 36.7 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -144.7 | 129.4 | 145.8 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 67 | R | 32.8 | Very low | 37.5 | Very low | 227 Ų | 227 | 160.5 Ų | 160.5 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -113.6 | 127.3 | 168.3 | -75 | 176.3 | 167.3 | -176.5 | -3.1 | 109.3 | ||||
| 68 | L | 36.7 | Very low | 37.3 | Very low | 175 Ų | 175 | 157 Ų | 157 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 167.5 | 156.1 | 144.7 | -112.8 | 63.9 | 0 | 0 | 0 | 108.4 | ||||
| 69 | A | 33.3 | Very low | 37.5 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -141 | 177.7 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 70 | K | 36.6 | Very low | 38.2 | Very low | 202 Ų | 202 | 152.9 Ų | 152.9 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -79.5 | 147.8 | -176.2 | -59.5 | 171.7 | 178.7 | 177 | 0 | 113 | ||||
| 71 | A | 33.3 | Very low | 38.8 | Very low | 106 Ų | 106 | 151 Ų | 151 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 110.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 72 | S | 38.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -108.1 | 116.2 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 73 | R | 38.6 | Very low | 40.5 | Very low | 252 Ų | 252 | 159.3 Ų | 159.3 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | -133.1 | 136.7 | 163.2 | -78.4 | -172.8 | 166.8 | 173.7 | -4 | 109.6 | ||||
| 74 | G | 38.6 | Very low | 41.6 | Very low | 61 Ų | 61 | 153 Ų | 153 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 167.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R76 | G74-R76 PolarHBondContact O-N 3.31Š| ||
| 75 | P | 45.2 | Very low | 42.6 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 94.9 | -166.6 | 30.4 | -36.2 | 0 | 0 | 0 | 112.9 | ||||
| 76 | R | 38 | Very low | 43.7 | Very low | 233 Ų | 233 | 147.4 Ų | 147.4 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 127.4 | 154.5 | -68.2 | -122.2 | -83.1 | -167.8 | -5.9 | 108 | G74 C78 | G74-R76 PolarHBondContact O-N 3.31Å; R76-C78 PolarHBondContact O-N 2.86Å | ||
| 77 | R | 52.7 | Low | 45.8 | Very low | 235 Ų | 235 | 143.5 Ų | 143.5 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -70.1 | 93.6 | -177.6 | -68.2 | -178 | 179.3 | 177 | -0.4 | 111.2 | V79 | R77-V79 HydrophobicContact CB-CG2 4.23Å; R77-V79 PolarHBondContact O-N 3.45Å | ||
| 78 | C | 33.8 | Very low | 48.2 | Very low | 83 Ų | 83 | 137 Ų | 137 | 56% | 0.561 | 74% | 0.738 | S | S | * | * | trans | -86.8 | 89.7 | 163.8 | -65.9 | 0 | 0 | 0 | 0 | 109.2 | R76 S80 | R76-C78 PolarHBondContact O-N 2.86Å; C78-S80 PolarHBondContact O-N 2.93Å; C78-S80 VanDerWaalsContact O-N 3.1Å | ||
| 79 | V | 48.8 | Very low | 50.2 | Low | 130 Ų | 130 | 134.8 Ų | 134.8 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -0.5 | -176.6 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | R77 | R77-V79 HydrophobicContact CB-CG2 4.23Å; R77-V79 PolarHBondContact O-N 3.45Å |
| 80 | S | 49.6 | Very low | 52.3 | Low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -21 | -172.1 | 47.8 | 0 | 0 | 0 | 0 | 116 | C78 | C78-S80 PolarHBondContact O-N 2.93Å; C78-S80 VanDerWaalsContact O-N 3.1Å |
| 81 | E | 49.3 | Very low | 54.3 | Low | 143 Ų | 143 | 134.7 Ų | 134.7 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -91.7 | -20.8 | -174.2 | -83.5 | -177.4 | 128.8 | 0 | 0 | 114.7 | R83 V84 | E81-R83 PolarHBondContact O-N 2.87Å; E81-R83 VanDerWaalsContact O-N 3.1Å; E81-V84 PolarHBondContact O-N 3.29Å; E81-V84 VanDerWaalsContact O-N 3.14Å |
| 82 | E | 51.4 | Low | 56.7 | Low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -20.2 | -174 | -166.2 | 169 | -175.4 | 0 | 0 | 113.4 | ||
| 83 | R | 55.4 | Low | 58.6 | Low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -5 | 177.7 | -62.3 | -164.3 | -169.5 | -167.4 | 5.9 | 115.6 | E81 | E81-R83 PolarHBondContact O-N 2.87Å; E81-R83 VanDerWaalsContact O-N 3.1Å |
| 84 | V | 57.2 | Low | 60.8 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -18.6 | -170.8 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | E81 | E81-V84 PolarHBondContact O-N 3.29Å; E81-V84 VanDerWaalsContact O-N 3.14Å |
| 85 | C | 54.3 | Low | 62.7 | Low | 104 Ų | 104 | 138.4 Ų | 138.4 | 70% | 0.703 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -138.1 | 37 | 176 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | S87 | C85-S87 PolarHBondContact O-N 3.07Š|
| 86 | S | 61 | Low | 64.2 | Low | 48 Ų | 48 | 142.3 Ų | 142.3 | 34% | 0.336 | 68% | 0.681 | S | S | . | * | trans | -70.9 | 110.7 | 151.7 | 55.5 | 0 | 0 | 0 | 0 | 107.8 | E91 | S86-E91 WeakPolarHBondContact CB-OE1 3.39Å; S86-E91 PolarHBondContact OG-OE1 3.39Å | ||
| 87 | S | 77.6 | Confident | 66 | Low | 60 Ų | 60 | 141.1 Ų | 141.1 | 42% | 0.42 | 68% | 0.682 | S | S | . | * | trans | -76.9 | 146.1 | 167.5 | 56.7 | 0 | 0 | 0 | 0 | 108.6 | C85 M89 R90 E91 | C85-S87 PolarHBondContact O-N 3.07Å; S87-M89 PolarHBondContact O-N 3.45Å; S87-M89 VanDerWaalsContact O-N 3.07Å; S87-R90 WeakPolarHBondContact O-CA 3.19Å; S87-R90 WeakPolarHBondContact O-CB 3.43Å; S87-R90 PolarHBondContact O-N 3.49Å; S87-E91 PolarHBondContact O-N 3.3Å | ||
| 88 | V | 82.3 | Confident | 67.2 | Low | 90 Ų | 90 | 134.4 Ų | 134.4 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -47.8 | -41.3 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | R90 E91 D92 | V88-R90 VanDerWaalsContact C-N 3.28Å; V88-R90 PolarHBondContact O-N 2.9Å; V88-E91 PolarHBondContact O-N 2.89Å; V88-D92 VanDerWaalsContact CG1-OD2 3.24Å; V88-D92 WeakPolarHBondContact CG1-OD2 3.42Å; V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 3.25Å |
| 89 | M | 80.3 | Confident | 69.1 | Low | 130 Ų | 130 | 141.2 Ų | 141.2 | 64% | 0.64 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.4 | -26 | 175.3 | -63.1 | -70.2 | 161.2 | 0 | 0 | 115.1 | S87 F93 | S87-M89 PolarHBondContact O-N 3.45Å; S87-M89 VanDerWaalsContact O-N 3.07Å; M89-F93 WeakPolarHBondContact O-CB 3.37Å; M89-F93 WeakPolarHBondContact O-CD2 3.45Å; M89-F93 PolarHBondContact O-N 3.41Å; M89-F93 HydrophobicContact SD-CD2 4.14Å; M89-F93 HydrophobicContact SD-CE2 3.71Å |
| 90 | R | 76.9 | Confident | 70.4 | Confident | 189 Ų | 189 | 140.9 Ų | 140.9 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.7 | -20.9 | 173.6 | -80.3 | 176.4 | 137.2 | -165.9 | -6.7 | 113.1 | S87 V88 | S87-R90 WeakPolarHBondContact O-CA 3.19Å; S87-R90 WeakPolarHBondContact O-CB 3.43Å; S87-R90 PolarHBondContact O-N 3.49Å; V88-R90 VanDerWaalsContact C-N 3.28Å; V88-R90 PolarHBondContact O-N 2.9Å |
| 91 | E | 77.8 | Confident | 71.5 | Confident | 103 Ų | 103 | 143.9 Ų | 143.9 | 48% | 0.481 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -86.3 | -46.3 | 178.8 | -64.6 | 174.8 | 145.2 | 0 | 0 | 110.1 | S86 S87 V88 | S86-E91 WeakPolarHBondContact CB-OE1 3.39Å; S86-E91 PolarHBondContact OG-OE1 3.39Å; S87-E91 PolarHBondContact O-N 3.3Å; V88-E91 PolarHBondContact O-N 2.89Å |
| 92 | D | 84.1 | Confident | 72.5 | Confident | 112 Ų | 112 | 142.3 Ų | 142.3 | 60% | 0.599 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.2 | -52 | 177.2 | -67.4 | -17.2 | 0 | 0 | 0 | 112.4 | V88 K94 | V88-D92 VanDerWaalsContact CG1-OD2 3.24Å; V88-D92 WeakPolarHBondContact CG1-OD2 3.42Å; V88-D92 WeakPolarHBondContact O-CB 3.37Å; V88-D92 PolarHBondContact O-N 3.25Å; D92-K94 PolarHBondContact O-N 2.98Å |
| 93 | F | 78.1 | Confident | 73.5 | Confident | 153 Ų | 153 | 138 Ų | 138 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 42.6 | -176.8 | -63 | -93 | 0 | 0 | 0 | 112.5 | M89 | M89-F93 WeakPolarHBondContact O-CB 3.37Å; M89-F93 WeakPolarHBondContact O-CD2 3.45Å; M89-F93 PolarHBondContact O-N 3.41Å; M89-F93 HydrophobicContact SD-CD2 4.14Å; M89-F93 HydrophobicContact SD-CE2 3.71Å |
| 94 | K | 83.6 | Confident | 73.8 | Confident | 162 Ų | 162 | 132.8 Ų | 132.8 | 70% | 0.704 | 67% | 0.674 | S | S | * | * | trans | -73.8 | 143.2 | 174 | -155.4 | 161.2 | -169.6 | 164.3 | 0 | 109.9 | D92 W96 | D92-K94 PolarHBondContact O-N 2.98Å; K94-W96 VanDerWaalsContact C-N 3.33Å; K94-W96 PolarHBondContact O-N 3.08Å | ||
| 95 | H | 79.3 | Confident | 74.7 | Confident | 184 Ų | 184 | 135 Ų | 135 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | trans | -72.7 | 86.4 | -176.8 | -72 | 67.6 | 0 | 0 | 0 | 110.9 | ||||
| 96 | W | 76.6 | Confident | 75.6 | Confident | 216 Ų | 216 | 135.9 Ų | 135.9 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -56.4 | 133.5 | 173.7 | 62.9 | -52.8 | 0 | 0 | 0 | 111.6 | K94 V98 | K94-W96 VanDerWaalsContact C-N 3.33Å; K94-W96 PolarHBondContact O-N 3.08Å; W96-V98 VanDerWaalsContact C-N 3.34Å; W96-V98 HydrophobicContact CD2-CG2 3.82Å; W96-V98 HydrophobicContact CE3-CG2 3.97Å; W96-V98 HydrophobicContact CG-CG2 4.46Å; W96-V98 HydrophobicContact CH2-CG2 4.08Å; W96-V98 HydrophobicContact CZ2-CG2 3.92Å; W96-V98 HydrophobicContact CZ3-CG2 4.1Å; W96-V98 PolarHBondContact O-N 3.48Å | ||
| 97 | K | 76.7 | Confident | 76.1 | Confident | 208 Ų | 208 | 143 Ų | 143 | 90% | 0.904 | 70% | 0.698 | S | S | * | * | trans | -77.7 | 85.4 | 177.2 | -71.3 | -170.2 | 179.1 | -175.9 | 0 | 109.7 | R99 | K97-R99 PolarHBondContact O-N 2.88Š| ||
| 98 | V | 76.9 | Confident | 76 | Confident | 93 Ų | 93 | 146.2 Ų | 146.2 | 56% | 0.564 | 72% | 0.721 | S | S | * | * | trans | -57.5 | 109.4 | 164.7 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | W96 P100 | W96-V98 VanDerWaalsContact C-N 3.34Å; W96-V98 HydrophobicContact CD2-CG2 3.82Å; W96-V98 HydrophobicContact CE3-CG2 3.97Å; W96-V98 HydrophobicContact CG-CG2 4.46Å; W96-V98 HydrophobicContact CH2-CG2 4.08Å; W96-V98 HydrophobicContact CZ2-CG2 3.92Å; W96-V98 HydrophobicContact CZ3-CG2 4.1Å; W96-V98 PolarHBondContact O-N 3.48Å; V98-P100 WeakPolarHBondContact O-CD 3.15Å | ||
| 99 | R | 74.3 | Confident | 76 | Confident | 227 Ų | 227 | 147.6 Ų | 147.6 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -65.2 | 127.6 | 162.8 | -82.1 | -178.3 | 165 | 165.1 | -4.6 | 106.7 | K97 E101 | K97-R99 PolarHBondContact O-N 2.88Å; R99-E101 PolarHBondContact O-N 2.87Å | ||
| 100 | P | 75.8 | Confident | 76.1 | Confident | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -63.6 | 106.5 | 169.2 | -16.9 | 30.6 | 0 | 0 | 0 | 107.7 | V98 | V98-P100 WeakPolarHBondContact O-CD 3.15Š| ||
| 101 | E | 72.4 | Confident | 76.3 | Confident | 156 Ų | 156 | 149.8 Ų | 149.8 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | -61.8 | 138 | 167 | -86.4 | -157.1 | 131.7 | 0 | 0 | 108.7 | R99 S103 | R99-E101 PolarHBondContact O-N 2.87Å; E101-S103 PolarHBondContact O-N 3.2Å | ||
| 102 | P | 71.1 | Confident | 76.5 | Confident | 109 Ų | 109 | 152.6 Ų | 152.6 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -60.7 | 113.3 | 168.6 | 27.5 | -32.4 | 0 | 0 | 0 | 107.2 | C104 | P102-C104 PolarHBondContact O-N 3.46Š| ||
| 103 | S | 71.5 | Confident | 76.5 | Confident | 80 Ų | 80 | 151.7 Ų | 151.7 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | trans | -53.7 | 130.1 | -166.3 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | E101 K105 | E101-S103 PolarHBondContact O-N 3.2Å; S103-K105 PolarHBondContact O-N 3.33Å; S103-K105 VanDerWaalsContact O-O 3.04Å | ||
| 104 | C | 63 | Low | 76.6 | Confident | 123 Ų | 123 | 153.8 Ų | 153.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -66.1 | 17.2 | 176.6 | -52.2 | 0 | 0 | 0 | 0 | 114.7 | P102 | P102-C104 PolarHBondContact O-N 3.46Š|
| 105 | K | 75.4 | Confident | 76.7 | Confident | 164 Ų | 164 | 151.4 Ų | 151.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -77.5 | 129.3 | 162.6 | -61.4 | -179.7 | 179.4 | -178.1 | 0 | 106.9 | S103 R107 | S103-K105 PolarHBondContact O-N 3.33Å; S103-K105 VanDerWaalsContact O-O 3.04Å; K105-R107 PolarHBondContact O-N 3.31Å |
| 106 | P | 73.8 | Confident | 76.9 | Confident | 124 Ų | 124 | 148.5 Ų | 148.5 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134 | 170.4 | 25.6 | -33.7 | 0 | 0 | 0 | 108.4 | S108 | P106-S108 PolarHBondContact O-N 3.49Š|
| 107 | R | 71.7 | Confident | 77.2 | Confident | 196 Ų | 196 | 146.8 Ų | 146.8 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132.3 | 178.1 | -68.7 | -174.1 | 176.4 | -179.4 | -0.7 | 108.6 | K105 E109 | K105-R107 PolarHBondContact O-N 3.31Å; R107-E109 HydrophobicContact CB-CG 4Å; R107-E109 WeakPolarHBondContact CD-OE1 2.9Å; R107-E109 IonicContact CZ-OE1 3.78Å; R107-E109 IonicContact NE-OE1 2.61Å; R107-E109 IonicContact NH1-OE1 2.9Å; R107-E109 PolarHBondContact NH1-OE1 3.45Å; R107-E109 PolarHBondContact O-N 2.84Å |
| 108 | S | 74.3 | Confident | 77.5 | Confident | 129 Ų | 129 | 142.2 Ų | 142.2 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -78.2 | 55.5 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | P106 | P106-S108 PolarHBondContact O-N 3.49Š| ||
| 109 | E | 82.9 | Confident | 78 | Confident | 119 Ų | 119 | 143.2 Ų | 143.2 | 56% | 0.556 | 74% | 0.743 | S | S | * | * | trans | -72.8 | 123.7 | 171.6 | -74.7 | 165.9 | -170.8 | 0 | 0 | 107.5 | R107 H111 | R107-E109 HydrophobicContact CB-CG 4Å; R107-E109 WeakPolarHBondContact CD-OE1 2.9Å; R107-E109 IonicContact CZ-OE1 3.78Å; R107-E109 IonicContact NE-OE1 2.61Å; R107-E109 IonicContact NH1-OE1 2.9Å; R107-E109 PolarHBondContact NH1-OE1 3.45Å; R107-E109 PolarHBondContact O-N 2.84Å; E109-H111 PolarHBondContact O-N 3.34Å | ||
| 110 | Y | 81.9 | Confident | 78.8 | Confident | 197 Ų | 197 | 136.8 Ų | 136.8 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -77.6 | 111.4 | -175.4 | 177.8 | -96.6 | 0 | 0 | 0 | 109.4 | E112 | Y110-E112 HydrophobicContact CD1-CG 4.36Å; Y110-E112 HydrophobicContact CE1-CG 4.21Å; Y110-E112 PolarHBondContact O-N 2.96Å | ||
| 111 | H | 80.6 | Confident | 79.5 | Confident | 167 Ų | 167 | 134.4 Ų | 134.4 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -77.4 | 120.2 | 170.9 | -71.1 | -78.6 | 0 | 0 | 0 | 109.8 | E109 | E109-H111 PolarHBondContact O-N 3.34Š| ||
| 112 | E | 82.4 | Confident | 80.4 | Confident | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | trans | -65.3 | 142.9 | 168 | -62.2 | -173 | 162.1 | 0 | 0 | 110 | Y110 E114 | Y110-E112 HydrophobicContact CD1-CG 4.36Å; Y110-E112 HydrophobicContact CE1-CG 4.21Å; Y110-E112 PolarHBondContact O-N 2.96Å; E112-E114 PolarHBondContact O-N 2.77Å | ||
| 113 | P | 83.3 | Confident | 81.3 | Confident | 94 Ų | 94 | 135 Ų | 135 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | trans | -70.4 | 115.4 | -178.7 | 27.6 | -33.6 | 0 | 0 | 0 | 111.1 | T115 | P113-T115 PolarHBondContact O-N 3.36Å; P113-T115 VanDerWaalsContact O-N 3.17Å | ||
| 114 | E | 81.4 | Confident | 82.1 | Confident | 196 Ų | 196 | 136.2 Ų | 136.2 | 92% | 0.916 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -58 | -27.2 | 179.3 | -172.6 | 177.5 | -171.5 | 0 | 0 | 113.4 | E112 | E112-E114 PolarHBondContact O-N 2.77Š|
| 115 | T | 85.2 | Confident | 83.4 | Confident | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -81.3 | 119.4 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | P113 | P113-T115 PolarHBondContact O-N 3.36Å; P113-T115 VanDerWaalsContact O-N 3.17Å |
| 116 | P | 84.6 | Confident | 84 | Confident | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.8 | 177.9 | 26.4 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 117 | F | 82.1 | Confident | 84.6 | Confident | 179 Ų | 179 | 130.8 Ų | 130.8 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.8 | 178.7 | -177.6 | -95.8 | 0 | 0 | 0 | 111.5 | T119 | F117-T119 HydrophobicContact CD1-CG2 4.08Å; F117-T119 PolarHBondContact O-N 3.27Å |
| 118 | N | 83 | Confident | 85.3 | Confident | 113 Ų | 113 | 126.7 Ų | 126.7 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -78.6 | 91 | -179 | -152.9 | -64.9 | 0 | 0 | 0 | 110.3 | E120 K125 | N118-E120 VanDerWaalsContact C-N 3.29Å; N118-E120 PolarHBondContact O-N 3.01Å; N118-E120 PolarHBondContact OD1-O 3.29Å; N118-K125 PolarHBondContact OD1-NZ 3.39Å | ||
| 119 | T | 88.3 | Confident | 85.8 | Confident | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | trans | -70.6 | -20.8 | -177.3 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | F117 T121 | F117-T119 HydrophobicContact CD1-CG2 4.08Å; F117-T119 PolarHBondContact O-N 3.27Å; T119-T121 PolarHBondContact O-N 3.46Å | ||
| 120 | E | 89.9 | Confident | 85.5 | Confident | 91 Ų | 91 | 131.2 Ų | 131.2 | 43% | 0.425 | 64% | 0.641 | S | S | . | * | trans | -81.3 | 114 | 179.8 | -70 | -168.9 | 163 | 0 | 0 | 111.8 | N118 K125 | N118-E120 VanDerWaalsContact C-N 3.29Å; N118-E120 PolarHBondContact O-N 3.01Å; N118-E120 PolarHBondContact OD1-O 3.29Å; E120-K125 HydrophobicContact CB-CD 4.4Å; E120-K125 VanDerWaalsContact CB-CE 3.49Å; E120-K125 HydrophobicContact CB-CG 4.34Å; E120-K125 PolarHBondContact O-NZ 3.38Å; E120-K125 WeakPolarHBondContact OE2-CE 3.34Å | ||
| 121 | T | 91.6 | Very high | 85.4 | Confident | 74 Ų | 74 | 127.3 Ų | 127.3 | 45% | 0.454 | 64% | 0.641 | S | S | . | * | trans | -64.4 | 156.5 | 169 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | T119 Y123 Q124 K125 | T119-T121 PolarHBondContact O-N 3.46Å; T121-Y123 PolarHBondContact O-N 2.88Å; T121-Q124 PolarHBondContact O-N 2.83Å; T121-Q124 VanDerWaalsContact O-N 3.09Å; T121-Q124 VanDerWaalsContact OG1-CD 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.32Å; T121-Q124 PolarHBondContact OG1-N 2.79Å; T121-Q124 PolarHBondContact OG1-OE1 2.87Å; T121-K125 PolarHBondContact O-N 3.33Å | ||
| 122 | Q | 89.8 | Confident | 85 | Confident | 122 Ų | 122 | 126.7 Ų | 126.7 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55.5 | -39.3 | 173.4 | -173.4 | 58.9 | 31.8 | 0 | 0 | 111.6 | Q124 K125 D126 | Q122-Q124 PolarHBondContact O-N 3.27Å; Q122-K125 WeakPolarHBondContact O-CB 3.34Å; Q122-K125 PolarHBondContact O-N 3.42Å; Q122-D126 WeakPolarHBondContact CG-OD2 3.43Å; Q122-D126 PolarHBondContact NE2-OD1 3.34Å; Q122-D126 PolarHBondContact NE2-OD2 3.15Å; Q122-D126 PolarHBondContact O-N 3.34Å |
| 123 | Y | 90.9 | Very high | 84.6 | Confident | 156 Ų | 156 | 122.6 Ų | 122.6 | 61% | 0.612 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.9 | -42.6 | 175.4 | -176 | -97.4 | 0 | 0 | 0 | 113.1 | T121 K125 D126 F127 | T121-Y123 PolarHBondContact O-N 2.88Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.86Å; Y123-D126 PolarHBondContact O-N 3.14Å; Y123-F127 HydrophobicContact CD2-CB 4.47Å; Y123-F127 AromaticContact CD2-CD2 3.31Å; Y123-F127 HydrophobicContact CD2-CD2 3.31Å; Y123-F127 AromaticContact CD2-CE2 3.71Å; Y123-F127 HydrophobicContact CD2-CE2 3.71Å; Y123-F127 HydrophobicContact CD2-CG 4.01Å; Y123-F127 HydrophobicContact CE1-CB 4.31Å; Y123-F127 HydrophobicContact CE2-CB 4.12Å; Y123-F127 HydrophobicContact CE2-CD1 4.22Å; Y123-F127 AromaticContact CE2-CD2 3.37Å; Y123-F127 HydrophobicContact CE2-CD2 3.37Å; Y123-F127 AromaticContact CE2-CE2 3.78Å; Y123-F127 HydrophobicContact CE2-CE2 3.78Å; Y123-F127 AromaticContact CE2-CG 3.62Å; Y123-F127 HydrophobicContact CE2-CG 3.62Å; Y123-F127 HydrophobicContact CE2-CZ 4.35Å; Y123-F127 HydrophobicContact CG-CD2 4.05Å; Y123-F127 AromaticContact CZ-CG 3.99Å; Y123-F127 WeakPolarHBondContact O-CB 3.36Å; Y123-F127 PolarHBondContact O-N 2.88Å |
| 124 | Q | 89.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 125.6 Ų | 125.6 | 49% | 0.491 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.6 | -22.3 | 176.9 | -72.5 | 158.9 | -42.4 | 0 | 0 | 113.3 | T121 Q122 K128 | T121-Q124 PolarHBondContact O-N 2.83Å; T121-Q124 VanDerWaalsContact O-N 3.09Å; T121-Q124 VanDerWaalsContact OG1-CD 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.32Å; T121-Q124 PolarHBondContact OG1-N 2.79Å; T121-Q124 PolarHBondContact OG1-OE1 2.87Å; Q122-Q124 PolarHBondContact O-N 3.27Å; Q124-K128 WeakPolarHBondContact O-CE 3.31Å; Q124-K128 WeakPolarHBondContact O-CG 3.14Å |
| 125 | K | 88.8 | Confident | 83.5 | Confident | 69 Ų | 69 | 126.1 Ų | 126.1 | 30% | 0.3 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.2 | -42.2 | 175 | -73.1 | 163.9 | 176.5 | 140.6 | 0 | 111.4 | N118 E120 T121 Q122 Y123 K128 | N118-K125 PolarHBondContact OD1-NZ 3.39Å; E120-K125 HydrophobicContact CB-CD 4.4Å; E120-K125 VanDerWaalsContact CB-CE 3.49Å; E120-K125 HydrophobicContact CB-CG 4.34Å; E120-K125 PolarHBondContact O-NZ 3.38Å; E120-K125 WeakPolarHBondContact OE2-CE 3.34Å; T121-K125 PolarHBondContact O-N 3.33Å; Q122-K125 WeakPolarHBondContact O-CB 3.34Å; Q122-K125 PolarHBondContact O-N 3.42Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.86Å; K125-K128 WeakPolarHBondContact O-CE 3.32Å |
| 126 | D | 89.6 | Confident | 82.3 | Confident | 86 Ų | 86 | 128.6 Ų | 128.6 | 46% | 0.46 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -84.9 | -42.3 | -175.1 | -60.3 | -23.9 | 0 | 0 | 0 | 113.1 | Q122 Y123 K128 | Q122-D126 WeakPolarHBondContact CG-OD2 3.43Å; Q122-D126 PolarHBondContact NE2-OD1 3.34Å; Q122-D126 PolarHBondContact NE2-OD2 3.15Å; Q122-D126 PolarHBondContact O-N 3.34Å; Y123-D126 PolarHBondContact O-N 3.14Å; D126-K128 VanDerWaalsContact C-N 3.33Å; D126-K128 PolarHBondContact O-N 3.44Å |
| 127 | F | 85.4 | Confident | 81.3 | Confident | 142 Ų | 142 | 127.6 Ų | 127.6 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | trans | -93.9 | 55.6 | -175.2 | -67.5 | -91.2 | 0 | 0 | 0 | 112.4 | Y123 | Y123-F127 HydrophobicContact CD2-CB 4.47Å; Y123-F127 AromaticContact CD2-CD2 3.31Å; Y123-F127 HydrophobicContact CD2-CD2 3.31Å; Y123-F127 AromaticContact CD2-CE2 3.71Å; Y123-F127 HydrophobicContact CD2-CE2 3.71Å; Y123-F127 HydrophobicContact CD2-CG 4.01Å; Y123-F127 HydrophobicContact CE1-CB 4.31Å; Y123-F127 HydrophobicContact CE2-CB 4.12Å; Y123-F127 HydrophobicContact CE2-CD1 4.22Å; Y123-F127 AromaticContact CE2-CD2 3.37Å; Y123-F127 HydrophobicContact CE2-CD2 3.37Å; Y123-F127 AromaticContact CE2-CE2 3.78Å; Y123-F127 HydrophobicContact CE2-CE2 3.78Å; Y123-F127 AromaticContact CE2-CG 3.62Å; Y123-F127 HydrophobicContact CE2-CG 3.62Å; Y123-F127 HydrophobicContact CE2-CZ 4.35Å; Y123-F127 HydrophobicContact CG-CD2 4.05Å; Y123-F127 AromaticContact CZ-CG 3.99Å; Y123-F127 WeakPolarHBondContact O-CB 3.36Å; Y123-F127 PolarHBondContact O-N 2.88Å | ||
| 128 | K | 86.8 | Confident | 80.6 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 48% | 0.478 | 59% | 0.585 | S | S | . | * | trans | -78.7 | 144.3 | 170.2 | -63.3 | -173.2 | -177.4 | -172.6 | 0 | 110.1 | Q124 K125 D126 W130 | Q124-K128 WeakPolarHBondContact O-CE 3.31Å; Q124-K128 WeakPolarHBondContact O-CG 3.14Å; K125-K128 WeakPolarHBondContact O-CE 3.32Å; D126-K128 VanDerWaalsContact C-N 3.33Å; D126-K128 PolarHBondContact O-N 3.44Å; K128-W130 PolarHBondContact O-N 3.34Å | ||
| 129 | P | 84.9 | Confident | 80 | Confident | 130 Ų | 130 | 122.1 Ų | 122.1 | 84% | 0.844 | 60% | 0.596 | S | S | * | * | trans | -69.4 | 102.1 | -177.9 | 27.5 | -34.1 | 0 | 0 | 0 | 110.5 | ||||
| 130 | W | 75.8 | Confident | 78.7 | Confident | 212 Ų | 212 | 125.7 Ų | 125.7 | 80% | 0.803 | 60% | 0.597 | S | S | * | * | trans | -58.9 | 135.3 | 173.5 | -63.8 | 95.7 | 0 | 0 | 0 | 110.4 | K128 I132 | K128-W130 PolarHBondContact O-N 3.34Å; W130-I132 PolarHBondContact O-N 3.21Å | ||
| 131 | P | 79.3 | Confident | 77.9 | Confident | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 60% | 0.595 | S | S | * | * | trans | -68.8 | 97.2 | 179.3 | 27.9 | -33.9 | 0 | 0 | 0 | 109.7 | P133 | P131-P133 VanDerWaalsContact O-CD 3.25Å; P131-P133 WeakPolarHBondContact O-CD 3.4Å | ||
| 132 | I | 73.9 | Confident | 76.6 | Confident | 153 Ų | 153 | 127 Ų | 127 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118.7 | 179.2 | -60.6 | 167.7 | 0 | 0 | 0 | 108.6 | W130 K134 | W130-I132 PolarHBondContact O-N 3.21Å; I132-K134 PolarHBondContact O-N 2.84Å |
| 133 | P | 72.8 | Confident | 75.6 | Confident | 77 Ų | 77 | 128.3 Ų | 128.3 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 133.6 | 174.2 | -23.1 | 34.8 | 0 | 0 | 0 | 110.1 | P131 | P131-P133 VanDerWaalsContact O-CD 3.25Å; P131-P133 WeakPolarHBondContact O-CD 3.4Å |
| 134 | K | 75.2 | Confident | 74.6 | Confident | 156 Ų | 156 | 125.8 Ų | 125.8 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142 | 172.1 | -63.8 | 177.2 | -177.2 | 175.9 | 0 | 108 | I132 Y136 D137 | I132-K134 PolarHBondContact O-N 2.84Å; K134-Y136 PolarHBondContact O-N 3.23Å; K134-D137 PolarHBondContact O-N 2.84Å |
| 135 | R | 66.2 | Low | 73.5 | Confident | 207 Ų | 207 | 126.2 Ų | 126.2 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 2.9 | -168.9 | -67.2 | -177.4 | 173.7 | 179.8 | -3 | 116.5 | ||
| 136 | Y | 60.5 | Low | 71.9 | Confident | 164 Ų | 164 | 128.9 Ų | 128.9 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 3.4 | -176.2 | -56.3 | -74.9 | 0 | 0 | 0 | 113.9 | K134 K143 | K134-Y136 PolarHBondContact O-N 3.23Å; Y136-K143 WeakPolarHBondContact O-CE 3.38Å |
| 137 | D | 64.3 | Low | 69.8 | Low | 103 Ų | 103 | 130 Ų | 130 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | trans | -106.6 | 23.6 | -179.4 | -65 | -43.9 | 0 | 0 | 0 | 112.6 | K134 | K134-D137 PolarHBondContact O-N 2.84Š| ||
| 138 | H | 67.3 | Low | 68.2 | Low | 48 Ų | 48 | 128 Ų | 128 | 22% | 0.222 | 68% | 0.677 | C | S | . | * | trans | -89.2 | 124.5 | 172.5 | -65.8 | -76.7 | 0 | 0 | 0 | 110.4 | W140 I141 | H138-W140 HydrophobicContact CB-CD2 4.14Å; H138-W140 HydrophobicContact CB-CE3 4.45Å; H138-W140 HydrophobicContact CB-CH2 4.31Å; H138-W140 HydrophobicContact CB-CZ2 3.96Å; H138-W140 AromaticContact CG-CZ2 3.82Å; H138-W140 AromaticContact ND1-CH2 3.38Å; H138-W140 WeakPolarHBondContact ND1-CH2 3.31Å; H138-W140 AromaticContact ND1-CZ2 3.34Å; H138-W140 VanDerWaalsContact ND1-CZ2 3.34Å; H138-W140 WeakPolarHBondContact ND1-CZ2 3.27Å; H138-W140 PolarHBondContact O-N 2.84Å; H138-I141 HydrophobicContact CB-CB 4.31Å; H138-I141 HydrophobicContact CB-CD1 3.82Å; H138-I141 HydrophobicContact CB-CG1 3.84Å; H138-I141 PolarHBondContact O-N 3.28Å; H138-I141 VanDerWaalsContact O-N 3.11Å | ||
| 139 | P | 69.1 | Low | 66.1 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -10.1 | -173.2 | 27.1 | -35 | 0 | 0 | 0 | 114.6 | ||
| 140 | W | 62.1 | Low | 63.9 | Low | 190 Ų | 190 | 128 Ų | 128 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -0.7 | 176.8 | 64.6 | 81.7 | 0 | 0 | 0 | 114.1 | H138 | H138-W140 HydrophobicContact CB-CD2 4.14Å; H138-W140 HydrophobicContact CB-CE3 4.45Å; H138-W140 HydrophobicContact CB-CH2 4.31Å; H138-W140 HydrophobicContact CB-CZ2 3.96Å; H138-W140 AromaticContact CG-CZ2 3.82Å; H138-W140 AromaticContact ND1-CH2 3.38Å; H138-W140 WeakPolarHBondContact ND1-CH2 3.31Å; H138-W140 AromaticContact ND1-CZ2 3.34Å; H138-W140 VanDerWaalsContact ND1-CZ2 3.34Å; H138-W140 WeakPolarHBondContact ND1-CZ2 3.27Å; H138-W140 PolarHBondContact O-N 2.84Å |
| 141 | I | 72.3 | Confident | 62.4 | Low | 74 Ų | 74 | 124.2 Ų | 124.2 | 38% | 0.379 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -99.9 | 114.1 | 176.7 | -61.5 | -176.1 | 0 | 0 | 0 | 108.4 | H138 K143 | H138-I141 HydrophobicContact CB-CB 4.31Å; H138-I141 HydrophobicContact CB-CD1 3.82Å; H138-I141 HydrophobicContact CB-CG1 3.84Å; H138-I141 PolarHBondContact O-N 3.28Å; H138-I141 VanDerWaalsContact O-N 3.11Å; I141-K143 PolarHBondContact O-N 2.72Å |
| 142 | P | 64.9 | Low | 60.4 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.4 | 173.6 | -23.3 | 34.4 | 0 | 0 | 0 | 110.4 | ||
| 143 | K | 69.3 | Low | 58.7 | Low | 150 Ų | 150 | 130.8 Ų | 130.8 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.7 | 171.9 | -66.1 | -175 | 177 | -172.5 | 0 | 108.1 | Y136 I141 | Y136-K143 WeakPolarHBondContact O-CE 3.38Å; I141-K143 PolarHBondContact O-N 2.72Å |
| 144 | P | 69 | Low | 57.9 | Low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.7 | 176.3 | 26.3 | -34 | 0 | 0 | 0 | 109.3 | ||
| 145 | P | 65.8 | Low | 56 | Low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 143.3 | 176.7 | 27.5 | -34.2 | 0 | 0 | 0 | 109.6 | S147 | P145-S147 PolarHBondContact O-N 2.94Š|
| 146 | P | 55.8 | Low | 54.5 | Low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 122.4 | 169.6 | 27.4 | -32.6 | 0 | 0 | 0 | 108.6 | ||
| 147 | S | 45.9 | Very low | 53.3 | Low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 139.5 | 167.3 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | P145 | P145-S147 PolarHBondContact O-N 2.94Š|
| 148 | A | 50.3 | Low | 52 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -64.8 | 146.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 149 | G | 44.6 | Very low | 50.4 | Low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | 104.9 | 105.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 150 | D | 37.7 | Very low | 48.5 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | cis | -137.6 | 169.2 | 22.9 | -150.2 | -15.5 | 0 | 0 | 0 | 112.1 | ||||
| 151 | D | 44.3 | Very low | 46.9 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -90.1 | -176.6 | -178.8 | -145.1 | -41.1 | 0 | 0 | 0 | 112.6 | ||||
| 152 | H | 38 | Very low | 44.9 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | 80 | 89.6 | 173.2 | -50 | -47.7 | 0 | 0 | 0 | 118 | ||||
| 153 | R | 37.9 | Very low | 43.4 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -59.7 | 169.3 | 144.1 | -65.1 | -175.8 | 179.6 | -166.4 | 3 | 111 | ||||
| 154 | P | 56 | Low | 41.9 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -138.3 | -165.2 | -45.1 | 39.3 | -21.8 | 0 | 0 | 0 | 112.2 | ||||
| 155 | R | 34.9 | Very low | 40.6 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | 72.4 | 94.6 | 146.8 | -168.8 | -160.2 | -155.6 | -171 | 8.3 | 118.6 | ||||
| 156 | H | 33.8 | Very low | 39.6 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -139.9 | 162.9 | 130.4 | -156.9 | -99.2 | 0 | 0 | 0 | 113.5 | ||||
| 157 | V | 36.6 | Very low | 38.7 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 54% | 0.539 | 79% | 0.79 | S | S | . | * | trans | -112 | 137.3 | -160.9 | 164.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 158 | K | 37.2 | Very low | 38.4 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 155.3 | 158 | -81.9 | 171.7 | 179.1 | 174.1 | 0 | 120.1 | ||||
| 159 | K | 32.5 | Very low | 38.5 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 74.4 | 142.4 | 156.6 | -76.7 | 166.7 | 176.9 | -170.7 | 0 | 116.6 | ||||
| 160 | H | 28.7 | Very low | 38.9 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -173.3 | 151.8 | -17.1 | -134.1 | -131.5 | 0 | 0 | 0 | 106.9 | ||||
| 161 | V | 29.5 | Very low | 39.4 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 64.2 | 136.8 | 158.9 | 172.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 162 | A | 30.4 | Very low | 39.9 | Very low | 78 Ų | 78 | 148.7 Ų | 148.7 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | cis | -155 | -178.3 | -12.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 163 | L | 33.7 | Very low | 40.5 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | cis | -148.6 | 151.4 | 32.1 | -72.4 | 155 | 0 | 0 | 0 | 110.6 | ||||
| 164 | D | 37.6 | Very low | 41.3 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 91% | 0.914 | 76% | 0.758 | S | S | * | * | trans | -68.5 | 123.8 | 152.9 | -67.8 | -72 | 0 | 0 | 0 | 108.8 | ||||
| 165 | A | 41.9 | Very low | 40.9 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -141.8 | 135.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | C167 | A165-C167 PolarHBondContact O-N 3.44Š| ||
| 166 | E | 45.2 | Very low | 41.8 | Very low | 206 Ų | 206 | 132 Ų | 132 | 96% | 0.963 | 75% | 0.746 | S | S | * | * | trans | -64.7 | 124.3 | -166.8 | -57.7 | 171.7 | 118.7 | 0 | 0 | 112.8 | ||||
| 167 | C | 35.2 | Very low | 42.9 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | -146.9 | 97.3 | 160.4 | -172 | 0 | 0 | 0 | 0 | 110.5 | A165 | A165-C167 PolarHBondContact O-N 3.44Š| ||
| 168 | G | 40 | Very low | 43.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -146.7 | 9.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 169 | V | 52.7 | Low | 44.2 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | trans | -119.5 | 19.7 | -168.7 | -160.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 170 | E | 53.3 | Low | 45.2 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 70.3 | -168.9 | -65.3 | -158 | -127.2 | 0 | 0 | 114.3 | ||
| 171 | K | 48.9 | Very low | 46.4 | Very low | 205 Ų | 205 | 124.9 Ų | 124.9 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 1.5 | 160.9 | -74.3 | -166.6 | 176.1 | 178.6 | 0 | 115.6 | ||
| 172 | G | 52.9 | Low | 47.5 | Very low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -90.7 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I174 | G172-I174 VanDerWaalsContact C-N 3.3Å; G172-I174 PolarHBondContact O-N 2.95Å; G172-I174 VanDerWaalsContact O-N 3.08Å |
| 173 | A | 52.3 | Low | 48.7 | Very low | 54 Ų | 54 | 126.8 Ų | 126.8 | 45% | 0.446 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | 4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 174 | I | 53.8 | Low | 49.7 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -26.4 | -174.2 | -60.3 | 178 | 0 | 0 | 0 | 112.2 | G172 | G172-I174 VanDerWaalsContact C-N 3.3Å; G172-I174 PolarHBondContact O-N 2.95Å; G172-I174 VanDerWaalsContact O-N 3.08Å |
| 175 | A | 48.6 | Very low | 50.3 | Low | 77 Ų | 77 | 122 Ų | 122 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -43.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V178 | A175-V178 PolarHBondContact O-N 3.03Š|
| 176 | D | 52.4 | Low | 50.6 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.8 | -44 | -176.3 | -101.9 | -15.8 | 0 | 0 | 0 | 113 | V178 Q179 E180 | D176-V178 PolarHBondContact O-N 2.86Å; D176-Q179 PolarHBondContact O-N 3.43Å; D176-Q179 VanDerWaalsContact O-N 3.09Å; D176-E180 PolarHBondContact O-N 3.47Å |
| 177 | K | 56.8 | Low | 50.7 | Low | 144 Ų | 144 | 117.5 Ų | 117.5 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.6 | -6.8 | -175.7 | -77.3 | 179.1 | 174.5 | 171.9 | 0 | 114.8 | ||
| 178 | V | 53 | Low | 51 | Low | 98 Ų | 98 | 121 Ų | 121 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -85.1 | -44 | 173 | -178.5 | 0 | 0 | 0 | 0 | 111 | A175 D176 | A175-V178 PolarHBondContact O-N 3.03Å; D176-V178 PolarHBondContact O-N 2.86Å |
| 179 | Q | 49.8 | Very low | 51.4 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.6 | -33.6 | -175.8 | -62.4 | -159.8 | 12.7 | 0 | 0 | 113.2 | D176 K181 D182 L183 | D176-Q179 PolarHBondContact O-N 3.43Å; D176-Q179 VanDerWaalsContact O-N 3.09Å; Q179-K181 PolarHBondContact O-N 3.07Å; Q179-D182 PolarHBondContact O-N 3.01Å; Q179-L183 PolarHBondContact O-N 3.37Å |
| 180 | E | 52.8 | Low | 50.8 | Low | 120 Ų | 120 | 129.6 Ų | 129.6 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -57 | -34.2 | 179.2 | -169.1 | -179.9 | -157.3 | 0 | 0 | 112.6 | D176 L184 | D176-E180 PolarHBondContact O-N 3.47Å; E180-L184 HydrophobicContact CG-CD1 4.5Å; E180-L184 WeakPolarHBondContact O-CG 3.16Å; E180-L184 PolarHBondContact O-N 2.86Å |
| 181 | K | 53.1 | Low | 50.2 | Low | 153 Ų | 153 | 132 Ų | 132 | 67% | 0.665 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.2 | -33.7 | -176.6 | -68.8 | -169.1 | 175.1 | -173.6 | 0 | 114.2 | Q179 Q185 | Q179-K181 PolarHBondContact O-N 3.07Å; K181-Q185 PolarHBondContact O-N 2.95Å |
| 182 | D | 54 | Low | 49.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | 175.1 | -88.2 | -11.3 | 0 | 0 | 0 | 111.4 | Q179 L184 Q185 G186 | Q179-D182 PolarHBondContact O-N 3.01Å; D182-L184 PolarHBondContact O-N 3.16Å; D182-Q185 PolarHBondContact O-N 3.38Å; D182-G186 PolarHBondContact O-N 2.84Å; D182-G186 VanDerWaalsContact O-N 3.13Å |
| 183 | L | 55.8 | Low | 48.4 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 179.9 | -79.1 | 161.3 | 0 | 0 | 0 | 112.6 | Q179 | Q179-L183 PolarHBondContact O-N 3.37Å |
| 184 | L | 53 | Low | 47.2 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 56% | 0.56 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70.3 | -41.9 | 178.1 | -68.1 | 172.7 | 0 | 0 | 0 | 112.3 | E180 D182 G186 Q187 | E180-L184 HydrophobicContact CG-CD1 4.5Å; E180-L184 WeakPolarHBondContact O-CG 3.16Å; E180-L184 PolarHBondContact O-N 2.86Å; D182-L184 PolarHBondContact O-N 3.16Å; L184-G186 VanDerWaalsContact C-N 3.26Å; L184-G186 PolarHBondContact O-N 2.76Å; L184-Q187 PolarHBondContact O-N 3.29Å; L184-Q187 VanDerWaalsContact O-N 3.1Å |
| 185 | Q | 51.3 | Low | 46.2 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67 | -27.4 | -179.8 | -162.8 | 176 | 117.5 | 0 | 0 | 112.8 | K181 D182 Q187 | K181-Q185 PolarHBondContact O-N 2.95Å; D182-Q185 PolarHBondContact O-N 3.38Å; Q185-Q187 VanDerWaalsContact C-N 3.35Å |
| 186 | G | 47.5 | Very low | 45.3 | Very low | 50 Ų | 50 | 146.5 Ų | 146.5 | 52% | 0.515 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -69.5 | -26.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D182 L184 | D182-G186 PolarHBondContact O-N 2.84Å; D182-G186 VanDerWaalsContact O-N 3.13Å; L184-G186 VanDerWaalsContact C-N 3.26Å; L184-G186 PolarHBondContact O-N 2.76Å |
| 187 | Q | 48 | Very low | 44.2 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -82.9 | -42.8 | -173.4 | -124.6 | -178.7 | 21.9 | 0 | 0 | 113.1 | L184 Q185 R189 K190 | L184-Q187 PolarHBondContact O-N 3.29Å; L184-Q187 VanDerWaalsContact O-N 3.1Å; Q185-Q187 VanDerWaalsContact C-N 3.35Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.02Å; Q187-K190 PolarHBondContact O-N 2.98Å |
| 188 | E | 41.8 | Very low | 42.9 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -64.5 | -33.6 | -177.3 | -64.4 | -142.1 | 120.2 | 0 | 0 | 113.2 | K190 | E188-K190 PolarHBondContact O-N 2.98Å; E188-K190 VanDerWaalsContact O-N 3.11Å |
| 189 | R | 46.6 | Very low | 42.4 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -12.5 | 179.3 | -74.8 | -176 | 169.5 | 179.5 | -0.4 | 114.2 | Q187 | Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.02Å |
| 190 | K | 41.7 | Very low | 41.5 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 9.1 | -173.9 | -145.4 | 173.2 | -174.7 | 176.4 | 0 | 114.8 | Q187 E188 | Q187-K190 PolarHBondContact O-N 2.98Å; E188-K190 PolarHBondContact O-N 2.98Å; E188-K190 VanDerWaalsContact O-N 3.11Å |
| 191 | K | 40 | Very low | 40.5 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -129.9 | 28.1 | -171.4 | -145.2 | 176.6 | -176.7 | 179.5 | 0 | 116.1 | ||
| 192 | R | 34.4 | Very low | 39.3 | Very low | 232 Ų | 232 | 150.9 Ų | 150.9 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | -141.5 | 159.2 | 167.9 | -76.4 | -172 | 179.3 | -173.3 | 0.1 | 112.8 | ||||
| 193 | S | 30.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 75.3 | 118.8 | -179.7 | 78.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 194 | S | 27.3 | Very low | 36.9 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -136.7 | 140 | 162.9 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 195 | K | 32.2 | Very low | 36 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 58.1 | 102.7 | 159 | -168.1 | -176.8 | -177.3 | -177.4 | 0 | 119 | ||||
| 196 | Q | 30.1 | Very low | 35.1 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | -160.9 | 103.9 | 119.6 | -121.2 | 177.3 | -31.3 | 0 | 0 | 114.9 | |||||
| 197 | E | 29.7 | Very low | 34.9 | Very low | 177 Ų | 177 | 162.5 Ų | 162.5 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | 19.7 | 126.4 | 128 | -166.5 | 164.3 | -154.4 | 0 | 0 | 121.7 | |||||
| 198 | G | 29.1 | Very low | 34.8 | Very low | 68 Ų | 68 | 160.1 Ų | 160.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 138.9 | 153.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 199 | P | 41.3 | Very low | 35 | Very low | 116 Ų | 116 | 157 Ų | 157 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -137.2 | 165.2 | -114 | 41.9 | -27.9 | 0 | 0 | 0 | 119 | |||||
| 200 | K | 32.4 | Very low | 35.3 | Very low | 189 Ų | 189 | 151 Ų | 151 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 78.3 | 124.9 | 151.5 | -75.1 | 164.6 | -178.2 | 171.4 | 0 | 122.2 | ||||
| 201 | K | 30.1 | Very low | 35.7 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 93.5 | 155.5 | 132.1 | -86.8 | -172.8 | 170.4 | -171.4 | 0 | 121.8 | ||||
| 202 | V | 29.3 | Very low | 36.7 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 75.3 | 133.9 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 203 | V | 28.8 | Very low | 38.2 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | 174.1 | 116 | -51.5 | 148.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 204 | L | 30.3 | Very low | 40.3 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 157 | 129.7 | 139.2 | -96 | 158.9 | 0 | 0 | 0 | 114.3 | ||||
| 205 | K | 33.2 | Very low | 42.8 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | trans | 53.6 | 142.1 | 150.3 | -92.5 | 179.7 | 172.9 | 177.6 | 0 | 119.1 | ||||
| 206 | V | 33.7 | Very low | 45 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | cis | -133.8 | 150.2 | 10 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 207 | E | 41.9 | Very low | 47.5 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -92.1 | 173.1 | 173.5 | -72.5 | -152.2 | 144.5 | 0 | 0 | 114 | ||||
| 208 | A | 47.8 | Very low | 50.1 | Low | 100 Ų | 100 | 122.6 Ų | 122.6 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | trans | 80 | 72.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 209 | E | 45.4 | Very low | 52.9 | Low | 110 Ų | 110 | 123.7 Ų | 123.7 | 51% | 0.514 | 68% | 0.681 | S | S | . | * | trans | -138.4 | 13.8 | 159.6 | -128 | -90 | 102 | 0 | 0 | 113.5 | R213 | E209-R213 IonicContact OE1-NE 3.75Å; E209-R213 IonicContact OE2-CZ 3.16Å; E209-R213 IonicContact OE2-NE 2.8Å; E209-R213 PolarHBondContact OE2-NE 3.44Å; E209-R213 IonicContact OE2-NH2 2.68Å; E209-R213 PolarHBondContact OE2-NH2 3.32Å | ||
| 210 | G | 52.2 | Low | 54.8 | Low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -17.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 211 | R | 51 | Low | 57.3 | Low | 228 Ų | 228 | 119.2 Ų | 119.2 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -27 | -177.3 | -67.8 | -176 | -175.7 | -104.3 | 2.5 | 114.2 | R213 A214 A215 | R211-R213 PolarHBondContact O-N 3.34Å; R211-A214 PolarHBondContact O-N 2.95Å; R211-A215 PolarHBondContact O-N 3.12Å |
| 212 | G | 60.3 | Low | 59.7 | Low | 35 Ų | 35 | 114.5 Ų | 114.5 | 36% | 0.361 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59 | -48.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A214 A215 V216 | G212-A214 PolarHBondContact O-N 3.01Å; G212-A215 PolarHBondContact O-N 3.08Å; G212-V216 WeakPolarHBondContact O-CB 3.26Å; G212-V216 WeakPolarHBondContact O-CG2 3.42Å; G212-V216 PolarHBondContact O-N 3.42Å |
| 213 | R | 64.9 | Low | 62.1 | Low | 178 Ų | 178 | 111.3 Ų | 111.3 | 67% | 0.672 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.3 | -38.9 | -177.2 | -57.5 | -175 | -174.8 | -155.2 | -0.1 | 113.8 | E209 R211 D217 | E209-R213 IonicContact OE1-NE 3.75Å; E209-R213 IonicContact OE2-CZ 3.16Å; E209-R213 IonicContact OE2-NE 2.8Å; E209-R213 PolarHBondContact OE2-NE 3.44Å; E209-R213 IonicContact OE2-NH2 2.68Å; E209-R213 PolarHBondContact OE2-NH2 3.32Å; R211-R213 PolarHBondContact O-N 3.34Å; R213-D217 WeakPolarHBondContact O-CB 3.49Å; R213-D217 PolarHBondContact O-N 3.38Å |
| 214 | A | 76.5 | Confident | 64.4 | Low | 70 Ų | 70 | 112.1 Ų | 112.1 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.9 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R211 G212 A218 | R211-A214 PolarHBondContact O-N 2.95Å; G212-A214 PolarHBondContact O-N 3.01Å; A214-A218 WeakPolarHBondContact O-CB 3.31Å; A214-A218 PolarHBondContact O-N 3.43Å |
| 215 | A | 79 | Confident | 66.5 | Low | 66 Ų | 66 | 109.9 Ų | 109.9 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R211 G212 A218 L219 | R211-A215 PolarHBondContact O-N 3.12Å; G212-A215 PolarHBondContact O-N 3.08Å; A215-A218 PolarHBondContact O-N 3Å; A215-L219 WeakPolarHBondContact O-CB 3.19Å; A215-L219 PolarHBondContact O-N 3.1Å |
| 216 | V | 78 | Confident | 68.3 | Low | 81 Ų | 81 | 106 Ų | 106 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.4 | -37.4 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | G212 L219 N220 | G212-V216 WeakPolarHBondContact O-CB 3.26Å; G212-V216 WeakPolarHBondContact O-CG2 3.42Å; G212-V216 PolarHBondContact O-N 3.42Å; V216-L219 PolarHBondContact O-N 3.11Å; V216-N220 VanDerWaalsContact O-CB 3.32Å; V216-N220 WeakPolarHBondContact O-CB 3.3Å; V216-N220 VanDerWaalsContact O-CG 3.25Å; V216-N220 PolarHBondContact O-N 3.11Å; V216-N220 PolarHBondContact O-ND2 3.03Å; V216-N220 VanDerWaalsContact O-ND2 3.08Å |
| 217 | D | 82.9 | Confident | 69.8 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.8 | -41.3 | 174.2 | -169.9 | 59.2 | 0 | 0 | 0 | 112 | R213 L219 N220 R221 | R213-D217 WeakPolarHBondContact O-CB 3.49Å; R213-D217 PolarHBondContact O-N 3.38Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 2.91Å; D217-N220 CarbonylContact O-C 3.5Å; D217-N220 PolarHBondContact O-N 2.76Å; D217-R221 WeakPolarHBondContact O-CB 3.48Å; D217-R221 PolarHBondContact O-N 2.85Å |
| 218 | A | 84.7 | Confident | 70.8 | Confident | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A214 A215 R221 Q222 | A214-A218 WeakPolarHBondContact O-CB 3.31Å; A214-A218 PolarHBondContact O-N 3.43Å; A215-A218 PolarHBondContact O-N 3Å; A218-R221 WeakPolarHBondContact O-CB 3.27Å; A218-R221 PolarHBondContact O-N 3.44Å; A218-Q222 PolarHBondContact O-N 3.48Å |
| 219 | L | 86.3 | Confident | 71.6 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.5 | -178.5 | 63.6 | 0 | 0 | 0 | 111.8 | A215 V216 D217 R221 Q222 I223 | A215-L219 WeakPolarHBondContact O-CB 3.19Å; A215-L219 PolarHBondContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 3.11Å; D217-L219 VanDerWaalsContact C-N 3.35Å; D217-L219 PolarHBondContact O-N 2.91Å; L219-R221 PolarHBondContact O-N 3.04Å; L219-Q222 PolarHBondContact O-N 3.21Å; L219-I223 HydrophobicContact CD1-CD1 4.18Å; L219-I223 HydrophobicContact CD1-CG1 4.41Å; L219-I223 HydrophobicContact CG-CD1 3.87Å; L219-I223 WeakPolarHBondContact O-CB 3.38Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.18Å; L219-I223 PolarHBondContact O-N 2.82Å |
| 220 | N | 83.1 | Confident | 72.7 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -30.1 | 174.4 | -79.6 | -39.8 | 0 | 0 | 0 | 112.6 | V216 D217 K224 | V216-N220 VanDerWaalsContact O-CB 3.32Å; V216-N220 WeakPolarHBondContact O-CB 3.3Å; V216-N220 VanDerWaalsContact O-CG 3.25Å; V216-N220 PolarHBondContact O-N 3.11Å; V216-N220 PolarHBondContact O-ND2 3.03Å; V216-N220 VanDerWaalsContact O-ND2 3.08Å; D217-N220 CarbonylContact O-C 3.5Å; D217-N220 PolarHBondContact O-N 2.76Å; N220-K224 VanDerWaalsContact O-CD 3.31Å; N220-K224 WeakPolarHBondContact O-CD 3.48Å; N220-K224 WeakPolarHBondContact O-CG 3.08Å; N220-K224 PolarHBondContact O-N 3.27Å; N220-K224 VanDerWaalsContact O-N 3.15Å |
| 221 | R | 84.3 | Confident | 73.7 | Confident | 141 Ų | 141 | 95.3 Ų | 95.3 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.7 | -47.9 | 173.7 | -131.8 | -170 | 71 | -124.1 | -14.9 | 110.9 | D217 A218 L219 I223 K224 E225 | D217-R221 WeakPolarHBondContact O-CB 3.48Å; D217-R221 PolarHBondContact O-N 2.85Å; A218-R221 WeakPolarHBondContact O-CB 3.27Å; A218-R221 PolarHBondContact O-N 3.44Å; L219-R221 PolarHBondContact O-N 3.04Å; R221-I223 PolarHBondContact O-N 3.27Å; R221-K224 PolarHBondContact O-N 2.91Å; R221-K224 VanDerWaalsContact O-N 3.14Å; R221-E225 IonicContact CZ-OE1 3.81Å; R221-E225 VanDerWaalsContact CZ-OE1 3.32Å; R221-E225 IonicContact NE-OE1 3.32Å; R221-E225 PolarHBondContact NE-OE1 3.23Å; R221-E225 IonicContact NH2-OE1 3.68Å; R221-E225 PolarHBondContact NH2-OE1 2.87Å; R221-E225 IonicContact NH2-OE2 2.62Å; R221-E225 WeakPolarHBondContact O-CB 3.42Å; R221-E225 VanDerWaalsContact O-CG 3.3Å; R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 2.95Å |
| 222 | Q | 80.4 | Confident | 74.8 | Confident | 97 Ų | 97 | 88 Ų | 88 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.2 | -47.8 | 173.5 | -179.7 | 176.1 | -8.2 | 0 | 0 | 111.6 | A218 L219 K224 E225 E226 | A218-Q222 PolarHBondContact O-N 3.48Å; L219-Q222 PolarHBondContact O-N 3.21Å; Q222-K224 VanDerWaalsContact C-N 3.31Å; Q222-K224 PolarHBondContact O-N 3.31Å; Q222-E225 PolarHBondContact O-N 3.4Å; Q222-E225 VanDerWaalsContact O-N 3.11Å; Q222-E226 HydrophobicContact CG-CG 4.3Å; Q222-E226 VanDerWaalsContact CG-OE1 3.25Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.49Å; Q222-E226 PolarHBondContact NE2-OE1 3.04Å; Q222-E226 WeakPolarHBondContact O-CB 3.41Å; Q222-E226 WeakPolarHBondContact O-CG 3.43Å; Q222-E226 PolarHBondContact O-N 3.33Å |
| 223 | I | 78.6 | Confident | 75.4 | Confident | 67 Ų | 67 | 93.8 Ų | 93.8 | 34% | 0.344 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.8 | -71.2 | 168 | 0 | 0 | 0 | 111.5 | L219 R221 I227 | L219-I223 HydrophobicContact CD1-CD1 4.18Å; L219-I223 HydrophobicContact CD1-CG1 4.41Å; L219-I223 HydrophobicContact CG-CD1 3.87Å; L219-I223 WeakPolarHBondContact O-CB 3.38Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.18Å; L219-I223 PolarHBondContact O-N 2.82Å; R221-I223 PolarHBondContact O-N 3.27Å; I223-I227 HydrophobicContact CG2-CD1 3.59Å; I223-I227 HydrophobicContact CG2-CG1 4.34Å; I223-I227 VanDerWaalsContact O-CB 3.25Å; I223-I227 WeakPolarHBondContact O-CB 3.37Å; I223-I227 WeakPolarHBondContact O-CG1 3.16Å; I223-I227 PolarHBondContact O-N 3.29Å |
| 224 | K | 77.1 | Confident | 75.9 | Confident | 137 Ų | 137 | 90.6 Ų | 90.6 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 174.7 | -73.1 | 164.2 | -171.9 | 169.5 | 0 | 112.5 | N220 R221 Q222 S228 | N220-K224 VanDerWaalsContact O-CD 3.31Å; N220-K224 WeakPolarHBondContact O-CD 3.48Å; N220-K224 WeakPolarHBondContact O-CG 3.08Å; N220-K224 PolarHBondContact O-N 3.27Å; N220-K224 VanDerWaalsContact O-N 3.15Å; R221-K224 PolarHBondContact O-N 2.91Å; R221-K224 VanDerWaalsContact O-N 3.14Å; Q222-K224 VanDerWaalsContact C-N 3.31Å; Q222-K224 PolarHBondContact O-N 3.31Å; K224-S228 WeakPolarHBondContact O-CB 3.2Å; K224-S228 PolarHBondContact O-N 2.91Å |
| 225 | E | 75.9 | Confident | 76 | Confident | 102 Ų | 102 | 91.1 Ų | 91.1 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 177.7 | -71.8 | 164.7 | -147.8 | 0 | 0 | 110.5 | R221 Q222 S228 A229 | R221-E225 IonicContact CZ-OE1 3.81Å; R221-E225 VanDerWaalsContact CZ-OE1 3.32Å; R221-E225 IonicContact NE-OE1 3.32Å; R221-E225 PolarHBondContact NE-OE1 3.23Å; R221-E225 IonicContact NH2-OE1 3.68Å; R221-E225 PolarHBondContact NH2-OE1 2.87Å; R221-E225 IonicContact NH2-OE2 2.62Å; R221-E225 WeakPolarHBondContact O-CB 3.42Å; R221-E225 VanDerWaalsContact O-CG 3.3Å; R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 2.95Å; Q222-E225 PolarHBondContact O-N 3.4Å; Q222-E225 VanDerWaalsContact O-N 3.11Å; E225-S228 PolarHBondContact O-N 2.81Å; E225-A229 PolarHBondContact O-N 3.1Å; E225-A229 VanDerWaalsContact O-N 3.12Å |
| 226 | E | 70.1 | Confident | 76 | Confident | 110 Ų | 110 | 94 Ų | 94 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 177.3 | -71.2 | 173.7 | -178.1 | 0 | 0 | 112.8 | Q222 S228 A229 G230 | Q222-E226 HydrophobicContact CG-CG 4.3Å; Q222-E226 VanDerWaalsContact CG-OE1 3.25Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.49Å; Q222-E226 PolarHBondContact NE2-OE1 3.04Å; Q222-E226 WeakPolarHBondContact O-CB 3.41Å; Q222-E226 WeakPolarHBondContact O-CG 3.43Å; Q222-E226 PolarHBondContact O-N 3.33Å; E226-S228 VanDerWaalsContact C-N 3.28Å; E226-S228 PolarHBondContact O-N 3.43Å; E226-A229 WeakPolarHBondContact O-CB 3.48Å; E226-A229 PolarHBondContact O-N 3.38Å; E226-A229 VanDerWaalsContact O-N 3.11Å; E226-G230 PolarHBondContact O-N 2.85Å |
| 227 | I | 65.9 | Low | 75.9 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 66% | 0.656 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -35.6 | 174.9 | -69.2 | 172.5 | 0 | 0 | 0 | 110.9 | I223 A229 G230 | I223-I227 HydrophobicContact CG2-CD1 3.59Å; I223-I227 HydrophobicContact CG2-CG1 4.34Å; I223-I227 VanDerWaalsContact O-CB 3.25Å; I223-I227 WeakPolarHBondContact O-CB 3.37Å; I223-I227 WeakPolarHBondContact O-CG1 3.16Å; I223-I227 PolarHBondContact O-N 3.29Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.01Å; I227-G230 PolarHBondContact O-N 3.43Å; I227-G230 VanDerWaalsContact O-N 3.1Å |
| 228 | S | 62 | Low | 75.9 | Confident | 69 Ų | 69 | 97 Ų | 97 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.4 | -21.6 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 113.6 | K224 E225 E226 K234 | K224-S228 WeakPolarHBondContact O-CB 3.2Å; K224-S228 PolarHBondContact O-N 2.91Å; E225-S228 PolarHBondContact O-N 2.81Å; E226-S228 VanDerWaalsContact C-N 3.28Å; E226-S228 PolarHBondContact O-N 3.43Å; S228-K234 PolarHBondContact O-NZ 3.28Å; S228-K234 PolarHBondContact OG-NZ 3.02Å |
| 229 | A | 64.7 | Low | 75.8 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79 | -16.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E225 E226 I227 S231 | E225-A229 PolarHBondContact O-N 3.1Å; E225-A229 VanDerWaalsContact O-N 3.12Å; E226-A229 WeakPolarHBondContact O-CB 3.48Å; E226-A229 PolarHBondContact O-N 3.38Å; E226-A229 VanDerWaalsContact O-N 3.11Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.01Å; A229-S231 VanDerWaalsContact C-N 3.34Å; A229-S231 PolarHBondContact O-N 3.17Å |
| 230 | G | 68.3 | Low | 75.3 | Confident | 65 Ų | 65 | 102.5 Ų | 102.5 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | trans | -72.5 | 67.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | E226 I227 | E226-G230 PolarHBondContact O-N 2.85Å; I227-G230 PolarHBondContact O-N 3.43Å; I227-G230 VanDerWaalsContact O-N 3.1Å | ||
| 231 | S | 73.1 | Confident | 75 | Confident | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 55% | 0.551 | S | S | . | * | trans | -169.8 | 124.4 | 152.1 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | A229 Y233 K234 T235 | A229-S231 VanDerWaalsContact C-N 3.34Å; A229-S231 PolarHBondContact O-N 3.17Å; S231-Y233 VanDerWaalsContact C-N 3.28Å; S231-Y233 PolarHBondContact O-N 3.17Å; S231-Y233 PolarHBondContact OG-N 2.73Å; S231-K234 WeakPolarHBondContact O-CB 3.41Å; S231-K234 PolarHBondContact O-N 3.11Å; S231-T235 PolarHBondContact O-N 3.21Å; S231-T235 VanDerWaalsContact O-N 3.15Å; S231-T235 PolarHBondContact O-OG1 3Å | ||
| 232 | S | 74.3 | Confident | 74.7 | Confident | 75 Ų | 75 | 108.6 Ų | 108.6 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -54.6 | -43.6 | 172.8 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | K234 T235 E236 | S232-K234 VanDerWaalsContact C-N 3.28Å; S232-K234 PolarHBondContact O-N 2.79Å; S232-T235 WeakPolarHBondContact CA-OG1 3.25Å; S232-T235 PolarHBondContact O-N 2.89Å; S232-T235 PolarHBondContact O-OG1 3.01Å; S232-E236 WeakPolarHBondContact CB-OE1 3.25Å; S232-E236 WeakPolarHBondContact O-CB 3.44Å; S232-E236 WeakPolarHBondContact O-CG 3.41Å; S232-E236 PolarHBondContact O-N 3.5Å |
| 233 | Y | 74.1 | Confident | 74.7 | Confident | 156 Ų | 156 | 109 Ų | 109 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.1 | -41.4 | 174.4 | -175.5 | -102.4 | 0 | 0 | 0 | 112.5 | S231 T235 F237 | S231-Y233 VanDerWaalsContact C-N 3.28Å; S231-Y233 PolarHBondContact O-N 3.17Å; S231-Y233 PolarHBondContact OG-N 2.73Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 3.13Å; Y233-F237 AromaticContact CD2-CD2 3.44Å; Y233-F237 HydrophobicContact CD2-CD2 3.44Å; Y233-F237 VanDerWaalsContact CD2-CD2 3.44Å; Y233-F237 AromaticContact CD2-CE2 3.78Å; Y233-F237 HydrophobicContact CD2-CE2 3.78Å; Y233-F237 HydrophobicContact CD2-CG 4.21Å; Y233-F237 AromaticContact CE2-CD2 3.67Å; Y233-F237 HydrophobicContact CE2-CD2 3.67Å; Y233-F237 HydrophobicContact CE2-CE2 4.02Å; Y233-F237 HydrophobicContact CE2-CG 4.04Å; Y233-F237 HydrophobicContact CG-CD2 4.15Å; Y233-F237 WeakPolarHBondContact O-CB 3.46Å; Y233-F237 PolarHBondContact O-N 2.82Å |
| 234 | K | 75.6 | Confident | 74.8 | Confident | 111 Ų | 111 | 114.7 Ų | 114.7 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.2 | -20.7 | 178.9 | -165.9 | -178.6 | 176.6 | -163.7 | 0 | 112.8 | S228 S231 S232 K238 | S228-K234 PolarHBondContact O-NZ 3.28Å; S228-K234 PolarHBondContact OG-NZ 3.02Å; S231-K234 WeakPolarHBondContact O-CB 3.41Å; S231-K234 PolarHBondContact O-N 3.11Å; S232-K234 VanDerWaalsContact C-N 3.28Å; S232-K234 PolarHBondContact O-N 2.79Å; K234-K238 PolarHBondContact O-NZ 3.45Å |
| 235 | T | 77.7 | Confident | 75 | Confident | 80 Ų | 80 | 113.9 Ų | 113.9 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -85.3 | -40.8 | 171.7 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | S231 S232 Y233 K238 | S231-T235 PolarHBondContact O-N 3.21Å; S231-T235 VanDerWaalsContact O-N 3.15Å; S231-T235 PolarHBondContact O-OG1 3Å; S232-T235 WeakPolarHBondContact CA-OG1 3.25Å; S232-T235 PolarHBondContact O-N 2.89Å; S232-T235 PolarHBondContact O-OG1 3.01Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 3.13Å; T235-K238 WeakPolarHBondContact O-CE 3.29Å |
| 236 | E | 79.9 | Confident | 75.4 | Confident | 126 Ų | 126 | 115.5 Ų | 115.5 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.6 | -47.4 | -175.1 | -69.3 | 158.1 | -154 | 0 | 0 | 112.2 | S232 K238 | S232-E236 WeakPolarHBondContact CB-OE1 3.25Å; S232-E236 WeakPolarHBondContact O-CB 3.44Å; S232-E236 WeakPolarHBondContact O-CG 3.41Å; S232-E236 PolarHBondContact O-N 3.5Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 2.98Å |
| 237 | F | 75.8 | Confident | 76 | Confident | 115 Ų | 115 | 119.1 Ų | 119.1 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | trans | -87 | 72.7 | -177.9 | -66.4 | -89.6 | 0 | 0 | 0 | 111.3 | Y233 | Y233-F237 AromaticContact CD2-CD2 3.44Å; Y233-F237 HydrophobicContact CD2-CD2 3.44Å; Y233-F237 VanDerWaalsContact CD2-CD2 3.44Å; Y233-F237 AromaticContact CD2-CE2 3.78Å; Y233-F237 HydrophobicContact CD2-CE2 3.78Å; Y233-F237 HydrophobicContact CD2-CG 4.21Å; Y233-F237 AromaticContact CE2-CD2 3.67Å; Y233-F237 HydrophobicContact CE2-CD2 3.67Å; Y233-F237 HydrophobicContact CE2-CE2 4.02Å; Y233-F237 HydrophobicContact CE2-CG 4.04Å; Y233-F237 HydrophobicContact CG-CD2 4.15Å; Y233-F237 WeakPolarHBondContact O-CB 3.46Å; Y233-F237 PolarHBondContact O-N 2.82Å | ||
| 238 | K | 81.9 | Confident | 76.5 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | trans | -76.6 | 143.3 | 163.2 | -55.9 | -49.4 | -172.7 | -170.1 | 0 | 109.6 | K234 T235 E236 Y240 | K234-K238 PolarHBondContact O-NZ 3.45Å; T235-K238 WeakPolarHBondContact O-CE 3.29Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 2.98Å; K238-Y240 PolarHBondContact O-N 3.44Å; K238-Y240 VanDerWaalsContact O-N 3.11Å | ||
| 239 | A | 82.7 | Confident | 77.2 | Confident | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | trans | -60.2 | 116.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K241 | A239-K241 PolarHBondContact O-N 3.36Š| ||
| 240 | Y | 75.5 | Confident | 77.7 | Confident | 174 Ų | 174 | 134.2 Ų | 134.2 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -68.3 | 89.3 | -176.2 | -59 | -76.2 | 0 | 0 | 0 | 111.5 | K238 | K238-Y240 PolarHBondContact O-N 3.44Å; K238-Y240 VanDerWaalsContact O-N 3.11Å | ||
| 241 | K | 76.8 | Confident | 78.3 | Confident | 185 Ų | 185 | 135.3 Ų | 135.3 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -22.2 | 178.9 | -68.1 | -177 | -179.5 | -177.9 | 0 | 113.2 | A239 V243 | A239-K241 PolarHBondContact O-N 3.36Å; K241-V243 VanDerWaalsContact C-N 3.28Å; K241-V243 PolarHBondContact O-N 3.15Å |
| 242 | D | 77.9 | Confident | 78.3 | Confident | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 8.2 | -174.1 | -48.7 | -70.3 | 0 | 0 | 0 | 113.8 | K244 | D242-K244 PolarHBondContact O-N 2.88Š|
| 243 | V | 80.3 | Confident | 78.3 | Confident | 105 Ų | 105 | 143.5 Ų | 143.5 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | -67.2 | 98.7 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | K241 | K241-V243 VanDerWaalsContact C-N 3.28Å; K241-V243 PolarHBondContact O-N 3.15Å | ||
| 244 | K | 81.9 | Confident | 78.3 | Confident | 188 Ų | 188 | 145.6 Ų | 145.6 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 120.5 | 178.5 | -65.5 | 178.3 | -178.3 | 173 | 0 | 109.4 | D242 V246 | D242-K244 PolarHBondContact O-N 2.88Å; K244-V246 PolarHBondContact O-N 3.25Å |
| 245 | P | 81.1 | Confident | 78.3 | Confident | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 127.6 | -174.5 | 23.4 | -33.3 | 0 | 0 | 0 | 110.6 | K247 | P245-K247 PolarHBondContact O-N 2.83Š|
| 246 | V | 84.4 | Confident | 78.3 | Confident | 135 Ų | 135 | 151.7 Ų | 151.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.6 | -179.6 | 179.2 | 0 | 0 | 0 | 0 | 109 | K244 M248 | K244-V246 PolarHBondContact O-N 3.25Å; V246-M248 PolarHBondContact O-N 3.32Å |
| 247 | K | 81.8 | Confident | 78.2 | Confident | 187 Ų | 187 | 149.8 Ų | 149.8 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.2 | 174.6 | -66.7 | -178.2 | 179.2 | -179.9 | 0 | 108.8 | P245 I249 | P245-K247 PolarHBondContact O-N 2.83Å; K247-I249 PolarHBondContact O-N 2.95Å; K247-I249 VanDerWaalsContact O-N 3.1Å |
| 248 | M | 76.6 | Confident | 78.3 | Confident | 183 Ų | 183 | 148.5 Ų | 148.5 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.9 | 177.2 | -67.6 | -172 | -70.8 | 0 | 0 | 110.4 | V246 R250 | V246-M248 PolarHBondContact O-N 3.32Å; M248-R250 PolarHBondContact O-N 3.11Å |
| 249 | I | 77.6 | Confident | 77.6 | Confident | 166 Ų | 166 | 148.8 Ų | 148.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 79 | 175.5 | -53.9 | 178.9 | 0 | 0 | 0 | 107.9 | K247 A251 | K247-I249 PolarHBondContact O-N 2.95Å; K247-I249 VanDerWaalsContact O-N 3.1Å; I249-A251 PolarHBondContact O-N 2.75Å | ||
| 250 | R | 74.9 | Confident | 77 | Confident | 234 Ų | 234 | 152.2 Ų | 152.2 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 104.9 | 175 | -170.2 | 173.9 | -173.2 | 166.3 | 2.5 | 108.4 | M248 K252 | M248-R250 PolarHBondContact O-N 3.11Å; R250-K252 PolarHBondContact O-N 2.88Å | ||
| 251 | A | 79.8 | Confident | 76.6 | Confident | 87 Ų | 87 | 152.1 Ų | 152.1 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -53.9 | 133.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I249 S253 | I249-A251 PolarHBondContact O-N 2.75Å; A251-S253 PolarHBondContact O-N 3.13Å | ||
| 252 | K | 74.5 | Confident | 76.2 | Confident | 196 Ų | 196 | 147.8 Ų | 147.8 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -64.6 | 121.6 | 171.1 | -68.8 | -177.9 | 178.2 | -179.7 | 0 | 107.7 | R250 Q254 | R250-K252 PolarHBondContact O-N 2.88Å; K252-Q254 PolarHBondContact O-N 3.45Å; K252-Q254 VanDerWaalsContact O-N 3.09Å | ||
| 253 | S | 72.9 | Confident | 75.6 | Confident | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -60.4 | 113 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | A251 Y255 | A251-S253 PolarHBondContact O-N 3.13Å; S253-Y255 PolarHBondContact O-N 3.07Å | ||
| 254 | Q | 74.9 | Confident | 75.3 | Confident | 201 Ų | 201 | 147.8 Ų | 147.8 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -67.7 | -19.4 | 179.7 | -64.5 | 178.4 | -2.2 | 0 | 0 | 112.3 | K252 L256 | K252-Q254 PolarHBondContact O-N 3.45Å; K252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-L256 PolarHBondContact O-N 3.09Å |
| 255 | Y | 76.3 | Confident | 75.1 | Confident | 166 Ų | 166 | 144.2 Ų | 144.2 | 65% | 0.651 | 75% | 0.746 | S | S | * | * | trans | -76.7 | 100.4 | 170.7 | -169.3 | -105 | 0 | 0 | 0 | 110.5 | S253 P257 | S253-Y255 PolarHBondContact O-N 3.07Å; Y255-P257 HydrophobicContact CD1-CG 4.14Å; Y255-P257 HydrophobicContact CE1-CB 4.01Å; Y255-P257 HydrophobicContact CE1-CG 3.81Å | ||
| 256 | L | 77.4 | Confident | 75.1 | Confident | 152 Ų | 152 | 142.6 Ų | 142.6 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 121.3 | 151 | -69.4 | 170.4 | 0 | 0 | 0 | 106.9 | Q254 | Q254-L256 PolarHBondContact O-N 3.09Š|
| 257 | P | 77.9 | Confident | 75 | Confident | 86 Ų | 86 | 140.7 Ų | 140.7 | 56% | 0.558 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.7 | 165.3 | -18.5 | 30.3 | 0 | 0 | 0 | 109.2 | Y255 D259 | Y255-P257 HydrophobicContact CD1-CG 4.14Å; Y255-P257 HydrophobicContact CE1-CB 4.01Å; Y255-P257 HydrophobicContact CE1-CG 3.81Å; P257-D259 PolarHBondContact O-N 3.38Å |
| 258 | P | 76.9 | Confident | 74.9 | Confident | 89 Ų | 89 | 139.6 Ų | 139.6 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135.2 | 170.9 | -24.5 | 34.7 | 0 | 0 | 0 | 110.7 | E260 | P258-E260 HydrophobicContact CB-CG 4.47Å; P258-E260 PolarHBondContact O-N 3.44Å |
| 259 | D | 68.1 | Low | 74.8 | Confident | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -65.1 | 83.3 | 168.3 | -96.7 | 2.7 | 0 | 0 | 0 | 108.5 | P257 K261 | P257-D259 PolarHBondContact O-N 3.38Å; D259-K261 PolarHBondContact O-N 3.11Å; D259-K261 IonicContact OD2-NZ 2.7Å; D259-K261 PolarHBondContact OD2-NZ 3.46Å | ||
| 260 | E | 69.9 | Low | 74.6 | Confident | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | trans | -70.8 | 72 | 177.4 | -72.4 | -161 | 160.2 | 0 | 0 | 111.2 | P258 T262 | P258-E260 HydrophobicContact CB-CG 4.47Å; P258-E260 PolarHBondContact O-N 3.44Å; E260-T262 HydrophobicContact CB-CG2 4.37Å; E260-T262 PolarHBondContact O-N 3.15Å | ||
| 261 | K | 66.6 | Low | 74.8 | Confident | 172 Ų | 172 | 123.3 Ų | 123.3 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | -70.2 | 66.4 | 163.2 | -67.7 | 169.6 | -172.6 | 157.5 | 0 | 108.3 | D259 S263 | D259-K261 PolarHBondContact O-N 3.11Å; D259-K261 IonicContact OD2-NZ 2.7Å; D259-K261 PolarHBondContact OD2-NZ 3.46Å; K261-S263 PolarHBondContact O-N 3.05Å; K261-S263 VanDerWaalsContact O-N 3.11Å | ||
| 262 | T | 67.9 | Low | 73.9 | Confident | 95 Ų | 95 | 126 Ų | 126 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | trans | -55 | 114.6 | 175.3 | 42.6 | 0 | 0 | 0 | 0 | 108.3 | E260 L264 | E260-T262 HydrophobicContact CB-CG2 4.37Å; E260-T262 PolarHBondContact O-N 3.15Å; T262-L264 PolarHBondContact O-N 3.48Å | ||
| 263 | S | 66.4 | Low | 73.9 | Confident | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -69.3 | 101.6 | 177.1 | 52.3 | 0 | 0 | 0 | 0 | 108.3 | K261 E265 | K261-S263 PolarHBondContact O-N 3.05Å; K261-S263 VanDerWaalsContact O-N 3.11Å; S263-E265 PolarHBondContact O-N 3.45Å | ||
| 264 | L | 74.7 | Confident | 73.4 | Confident | 155 Ų | 155 | 122 Ų | 122 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | trans | -65.7 | 16 | 178.4 | -56.6 | -180 | 0 | 0 | 0 | 113.8 | T262 T266 | T262-L264 PolarHBondContact O-N 3.48Å; L264-T266 PolarHBondContact O-N 3.46Å | ||
| 265 | E | 76.8 | Confident | 72.8 | Confident | 113 Ų | 113 | 120.7 Ų | 120.7 | 53% | 0.528 | 65% | 0.645 | S | S | . | * | trans | -73.2 | 90.5 | 172.5 | -61.7 | -151.1 | 140.8 | 0 | 0 | 110.2 | S263 S269 K273 | S263-E265 PolarHBondContact O-N 3.45Å; E265-S269 VanDerWaalsContact CA-OG 3.26Å; E265-S269 WeakPolarHBondContact CA-OG 3.31Å; E265-K273 IonicContact OE1-NZ 3.61Å; E265-K273 PolarHBondContact OE1-NZ 3.29Å; E265-K273 IonicContact OE2-NZ 2.72Å | ||
| 266 | T | 81.5 | Confident | 72 | Confident | 85 Ų | 85 | 116.3 Ų | 116.3 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | trans | -55 | 152 | 166 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | L264 Y268 S269 A270 | L264-T266 PolarHBondContact O-N 3.46Å; T266-Y268 PolarHBondContact O-N 2.87Å; T266-Y268 VanDerWaalsContact O-N 3.08Å; T266-S269 PolarHBondContact N-OG 3.36Å; T266-S269 VanDerWaalsContact N-OG 3.13Å; T266-S269 WeakPolarHBondContact O-CA 3.47Å; T266-S269 PolarHBondContact O-N 2.84Å; T266-S269 PolarHBondContact O-OG 3.44Å; T266-S269 PolarHBondContact OG1-N 2.93Å; T266-S269 PolarHBondContact OG1-OG 3.36Å; T266-A270 PolarHBondContact O-N 3.42Å | ||
| 267 | S | 80.9 | Confident | 71.1 | Confident | 95 Ų | 95 | 115 Ų | 115 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -54.8 | -29 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | N271 | S267-N271 WeakPolarHBondContact O-CB 3.46Å; S267-N271 PolarHBondContact O-N 3.14Å; S267-N271 VanDerWaalsContact O-N 3.17Å; S267-N271 PolarHBondContact O-ND2 3.1Å; S267-N271 VanDerWaalsContact O-ND2 3.17Å |
| 268 | Y | 79.9 | Confident | 70.1 | Confident | 165 Ų | 165 | 118 Ų | 118 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63 | -52.8 | 169.8 | -176.1 | -102.2 | 0 | 0 | 0 | 111.7 | T266 A270 N271 F272 | T266-Y268 PolarHBondContact O-N 2.87Å; T266-Y268 VanDerWaalsContact O-N 3.08Å; Y268-A270 VanDerWaalsContact C-N 3.28Å; Y268-A270 PolarHBondContact O-N 3.25Å; Y268-N271 PolarHBondContact O-N 2.66Å; Y268-F272 HydrophobicContact CE2-CB 4.42Å; Y268-F272 WeakPolarHBondContact O-CB 3.29Å; Y268-F272 PolarHBondContact O-N 2.86Å |
| 269 | S | 74.6 | Confident | 69.2 | Low | 36 Ų | 36 | 121.4 Ų | 121.4 | 25% | 0.252 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.8 | -27.3 | 178.8 | 72.6 | 0 | 0 | 0 | 0 | 114.1 | E265 T266 K273 | E265-S269 VanDerWaalsContact CA-OG 3.26Å; E265-S269 WeakPolarHBondContact CA-OG 3.31Å; T266-S269 PolarHBondContact N-OG 3.36Å; T266-S269 VanDerWaalsContact N-OG 3.13Å; T266-S269 WeakPolarHBondContact O-CA 3.47Å; T266-S269 PolarHBondContact O-N 2.84Å; T266-S269 PolarHBondContact O-OG 3.44Å; T266-S269 PolarHBondContact OG1-N 2.93Å; T266-S269 PolarHBondContact OG1-OG 3.36Å; S269-K273 VanDerWaalsContact O-CE 3.29Å; S269-K273 WeakPolarHBondContact O-CE 3.44Å; S269-K273 WeakPolarHBondContact O-CG 3.29Å |
| 270 | A | 73.8 | Confident | 68.6 | Low | 59 Ų | 59 | 119.1 Ų | 119.1 | 49% | 0.488 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72.5 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T266 Y268 | T266-A270 PolarHBondContact O-N 3.42Å; Y268-A270 VanDerWaalsContact C-N 3.28Å; Y268-A270 PolarHBondContact O-N 3.25Å |
| 271 | N | 78.4 | Confident | 68 | Low | 145 Ų | 145 | 115.6 Ų | 115.6 | 78% | 0.775 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -85.8 | -25.4 | -178.3 | -72.4 | -31.6 | 0 | 0 | 0 | 113.7 | S267 Y268 | S267-N271 WeakPolarHBondContact O-CB 3.46Å; S267-N271 PolarHBondContact O-N 3.14Å; S267-N271 VanDerWaalsContact O-N 3.17Å; S267-N271 PolarHBondContact O-ND2 3.1Å; S267-N271 VanDerWaalsContact O-ND2 3.17Å; Y268-N271 PolarHBondContact O-N 2.66Å |
| 272 | F | 62.4 | Low | 67.6 | Low | 143 Ų | 143 | 114.7 Ų | 114.7 | 63% | 0.627 | 65% | 0.648 | S | S | * | * | trans | -125 | 48.9 | -170.5 | -145.4 | -91.9 | 0 | 0 | 0 | 112.8 | Y268 A274 | Y268-F272 HydrophobicContact CE2-CB 4.42Å; Y268-F272 WeakPolarHBondContact O-CB 3.29Å; Y268-F272 PolarHBondContact O-N 2.86Å; F272-A274 PolarHBondContact O-N 3Å | ||
| 273 | K | 74.4 | Confident | 67.4 | Low | 131 Ų | 131 | 114.6 Ų | 114.6 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | trans | -71.9 | 111.1 | 159.9 | -58.5 | -160.4 | 177.5 | -177.1 | 0 | 107.8 | E265 S269 | E265-K273 IonicContact OE1-NZ 3.61Å; E265-K273 PolarHBondContact OE1-NZ 3.29Å; E265-K273 IonicContact OE2-NZ 2.72Å; S269-K273 VanDerWaalsContact O-CE 3.29Å; S269-K273 WeakPolarHBondContact O-CE 3.44Å; S269-K273 WeakPolarHBondContact O-CG 3.29Å | ||
| 274 | A | 62.2 | Low | 68 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 69% | 0.694 | 63% | 0.633 | S | S | * | * | trans | -52 | 142.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F272 A276 | F272-A274 PolarHBondContact O-N 3Å; A274-A276 VanDerWaalsContact C-N 3.26Å; A274-A276 PolarHBondContact O-N 2.96Å | ||
| 275 | L | 62.2 | Low | 67.7 | Low | 173 Ų | 173 | 110.8 Ų | 110.8 | 91% | 0.906 | 62% | 0.619 | S | S | * | * | trans | -67 | 86.9 | 177.7 | -84.4 | 162.2 | 0 | 0 | 0 | 109.6 | ||||
| 276 | A | 59.5 | Low | 67.6 | Low | 73 Ų | 73 | 110 Ų | 110 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | trans | -52.2 | 135.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A274 L278 | A274-A276 VanDerWaalsContact C-N 3.26Å; A274-A276 PolarHBondContact O-N 2.96Å; A276-L278 PolarHBondContact O-N 3.37Å | ||
| 277 | P | 58.9 | Low | 67.4 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 81% | 0.805 | 61% | 0.61 | S | S | * | * | trans | -51.9 | 119.7 | 179.3 | -27.5 | 35 | 0 | 0 | 0 | 110 | Q279 | P277-Q279 PolarHBondContact O-N 3.29Š| ||
| 278 | L | 56.7 | Low | 67.5 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 79% | 0.791 | 61% | 0.608 | S | S | * | * | trans | -56.2 | 115 | -177.6 | -74.7 | 173.4 | 0 | 0 | 0 | 108.9 | A276 | A276-L278 PolarHBondContact O-N 3.37Š| ||
| 279 | Q | 58.2 | Low | 67.5 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | trans | -43.2 | 130 | 176.5 | -75.6 | -69.3 | -4.5 | 0 | 0 | 109 | P277 T281 | P277-Q279 PolarHBondContact O-N 3.29Å; Q279-T281 PolarHBondContact O-N 2.75Å | ||
| 280 | P | 55.6 | Low | 68.1 | Low | 85 Ų | 85 | 118 Ų | 118 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | trans | -73 | 79.6 | -173.8 | 31 | -35.2 | 0 | 0 | 0 | 109.9 | D282 K284 | P280-D282 PolarHBondContact O-N 2.79Å; P280-K284 HydrophobicContact CB-CD 4.27Å | ||
| 281 | T | 57.4 | Low | 68.4 | Low | 82 Ų | 82 | 119.3 Ų | 119.3 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | trans | -54.2 | 131 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | Q279 N283 K284 | Q279-T281 PolarHBondContact O-N 2.75Å; T281-N283 PolarHBondContact O-N 3.39Å; T281-K284 PolarHBondContact O-N 3.02Å | ||
| 282 | D | 58.1 | Low | 68.6 | Low | 153 Ų | 153 | 120.1 Ų | 120.1 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -21.2 | -175.8 | -67.5 | -68.8 | 0 | 0 | 0 | 113.3 | P280 K284 A285 | P280-D282 PolarHBondContact O-N 2.79Å; D282-K284 PolarHBondContact O-N 3.39Å; D282-A285 PolarHBondContact O-N 2.87Å |
| 283 | N | 63.7 | Low | 69.3 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -46.9 | -25.9 | 165.8 | -67.2 | -46 | 0 | 0 | 0 | 113.7 | T281 A285 Q286 E287 | T281-N283 PolarHBondContact O-N 3.39Å; N283-A285 PolarHBondContact O-N 3.1Å; N283-A285 VanDerWaalsContact O-N 3.16Å; N283-Q286 CarbonylContact O-C 3.56Å; N283-Q286 WeakPolarHBondContact O-CA 3.45Å; N283-Q286 WeakPolarHBondContact O-CB 3.43Å; N283-Q286 PolarHBondContact O-N 3.26Å; N283-E287 WeakPolarHBondContact O-CB 3.48Å; N283-E287 PolarHBondContact O-N 3.01Å |
| 284 | K | 77.3 | Confident | 69.3 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -52.4 | -34.6 | 172.2 | -77 | -178.7 | 179.5 | 177 | 0 | 113.1 | P280 T281 D282 R288 | P280-K284 HydrophobicContact CB-CD 4.27Å; T281-K284 PolarHBondContact O-N 3.02Å; D282-K284 PolarHBondContact O-N 3.39Å; K284-R288 WeakPolarHBondContact O-CB 3.39Å; K284-R288 WeakPolarHBondContact O-CG 3.46Å; K284-R288 PolarHBondContact O-N 2.76Å |
| 285 | A | 69.5 | Low | 69.6 | Low | 63 Ų | 63 | 123 Ų | 123 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.2 | -30.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D282 N283 R289 | D282-A285 PolarHBondContact O-N 2.87Å; N283-A285 PolarHBondContact O-N 3.1Å; N283-A285 VanDerWaalsContact O-N 3.16Å; A285-R289 PolarHBondContact O-N 2.63Å |
| 286 | Q | 75 | Confident | 69.7 | Low | 97 Ų | 97 | 118.3 Ų | 118.3 | 45% | 0.453 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.7 | -36.9 | 176.3 | -150.7 | -178.8 | 60.2 | 0 | 0 | 111.2 | N283 R289 R290 | N283-Q286 CarbonylContact O-C 3.56Å; N283-Q286 WeakPolarHBondContact O-CA 3.45Å; N283-Q286 WeakPolarHBondContact O-CB 3.43Å; N283-Q286 PolarHBondContact O-N 3.26Å; Q286-R289 CarbonylContact O-C 3.49Å; Q286-R289 VanDerWaalsContact O-CA 3.31Å; Q286-R289 WeakPolarHBondContact O-CA 3.26Å; Q286-R289 WeakPolarHBondContact O-CB 3.29Å; Q286-R289 PolarHBondContact O-N 3.36Å; Q286-R290 PolarHBondContact O-N 3.23Å |
| 287 | E | 77.6 | Confident | 69.8 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 41% | 0.411 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.6 | -44.7 | 175.7 | -153.9 | 65.3 | -170.3 | 0 | 0 | 111.2 | N283 R289 R290 I291 | N283-E287 WeakPolarHBondContact O-CB 3.48Å; N283-E287 PolarHBondContact O-N 3.01Å; E287-R289 PolarHBondContact O-N 2.85Å; E287-R289 VanDerWaalsContact O-N 3.09Å; E287-R290 PolarHBondContact O-N 3.2Å; E287-R290 VanDerWaalsContact O-N 3.15Å; E287-R290 WeakPolarHBondContact OE2-CD 3.32Å; E287-R290 IonicContact OE2-CZ 2.63Å; E287-R290 IonicContact OE2-NE 3.86Å; E287-R290 IonicContact OE2-NH1 3.36Å; E287-R290 PolarHBondContact OE2-NH1 2.76Å; E287-I291 HydrophobicContact CG-CD1 4.23Å; E287-I291 WeakPolarHBondContact O-CB 3.35Å; E287-I291 VanDerWaalsContact O-CG1 3.32Å; E287-I291 WeakPolarHBondContact O-CG1 3.24Å; E287-I291 PolarHBondContact O-N 3.04Å |
| 288 | R | 82.9 | Confident | 69.9 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 61% | 0.611 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -9.3 | 168.5 | -67.1 | 174.3 | 89.8 | -163.6 | 9.3 | 113 | K284 R292 | K284-R288 WeakPolarHBondContact O-CB 3.39Å; K284-R288 WeakPolarHBondContact O-CG 3.46Å; K284-R288 PolarHBondContact O-N 2.76Å; R288-R292 VanDerWaalsContact O-CG 3.3Å; R288-R292 WeakPolarHBondContact O-CG 3.46Å; R288-R292 PolarHBondContact O-NH1 3.02Å |
| 289 | R | 79.9 | Confident | 69.4 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -92 | -43.5 | 169.9 | -138 | -179.2 | -64.3 | -160.9 | 1.3 | 111 | A285 Q286 E287 R292 S293 | A285-R289 PolarHBondContact O-N 2.63Å; Q286-R289 CarbonylContact O-C 3.49Å; Q286-R289 VanDerWaalsContact O-CA 3.31Å; Q286-R289 WeakPolarHBondContact O-CA 3.26Å; Q286-R289 WeakPolarHBondContact O-CB 3.29Å; Q286-R289 PolarHBondContact O-N 3.36Å; E287-R289 PolarHBondContact O-N 2.85Å; E287-R289 VanDerWaalsContact O-N 3.09Å; R289-R292 PolarHBondContact O-N 3.35Å; R289-S293 WeakPolarHBondContact O-CB 3.1Å; R289-S293 PolarHBondContact O-N 2.61Å |
| 290 | R | 86.2 | Confident | 69 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -55.7 | -53.1 | 170.1 | -67.8 | -178.1 | -176.7 | 101.4 | 9.9 | 111.4 | Q286 E287 R292 S293 L294 | Q286-R290 PolarHBondContact O-N 3.23Å; E287-R290 PolarHBondContact O-N 3.2Å; E287-R290 VanDerWaalsContact O-N 3.15Å; E287-R290 WeakPolarHBondContact OE2-CD 3.32Å; E287-R290 IonicContact OE2-CZ 2.63Å; E287-R290 IonicContact OE2-NE 3.86Å; E287-R290 IonicContact OE2-NH1 3.36Å; E287-R290 PolarHBondContact OE2-NH1 2.76Å; R290-R292 VanDerWaalsContact C-N 3.34Å; R290-R292 PolarHBondContact O-N 3.27Å; R290-S293 CarbonylContact O-C 3.51Å; R290-S293 WeakPolarHBondContact O-CA 3.07Å; R290-S293 WeakPolarHBondContact O-CB 3.21Å; R290-S293 PolarHBondContact O-N 2.95Å; R290-L294 WeakPolarHBondContact O-CG 3.41Å; R290-L294 PolarHBondContact O-N 3.39Å |
| 291 | I | 81.4 | Confident | 68.5 | Low | 86 Ų | 86 | 124.1 Ų | 124.1 | 44% | 0.441 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.9 | -44.1 | -179.7 | -66.3 | 164.7 | 0 | 0 | 0 | 111.1 | E287 S293 L294 Y295 | E287-I291 HydrophobicContact CG-CD1 4.23Å; E287-I291 WeakPolarHBondContact O-CB 3.35Å; E287-I291 VanDerWaalsContact O-CG1 3.32Å; E287-I291 WeakPolarHBondContact O-CG1 3.24Å; E287-I291 PolarHBondContact O-N 3.04Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 3.28Å; I291-L294 PolarHBondContact O-N 3.15Å; I291-Y295 HydrophobicContact CG2-CD2 4.34Å; I291-Y295 WeakPolarHBondContact O-CD2 3.35Å; I291-Y295 PolarHBondContact O-N 3.2Å |
| 292 | R | 82.5 | Confident | 68.1 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 61% | 0.611 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.4 | -34.7 | 174.3 | -75.5 | -175.9 | -171.2 | 107.8 | -18 | 112.7 | R288 R289 R290 S296 | R288-R292 VanDerWaalsContact O-CG 3.3Å; R288-R292 WeakPolarHBondContact O-CG 3.46Å; R288-R292 PolarHBondContact O-NH1 3.02Å; R289-R292 PolarHBondContact O-N 3.35Å; R290-R292 VanDerWaalsContact C-N 3.34Å; R290-R292 PolarHBondContact O-N 3.27Å; R292-S296 WeakPolarHBondContact O-CB 3.39Å; R292-S296 PolarHBondContact O-N 3.03Å; R292-S296 PolarHBondContact O-OG 3.17Å |
| 293 | S | 75.3 | Confident | 67.8 | Low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75.5 | -23.5 | 176.6 | -170.7 | 0 | 0 | 0 | 0 | 114 | R289 R290 I291 S296 | R289-S293 WeakPolarHBondContact O-CB 3.1Å; R289-S293 PolarHBondContact O-N 2.61Å; R290-S293 CarbonylContact O-C 3.51Å; R290-S293 WeakPolarHBondContact O-CA 3.07Å; R290-S293 WeakPolarHBondContact O-CB 3.21Å; R290-S293 PolarHBondContact O-N 2.95Å; I291-S293 VanDerWaalsContact C-N 3.29Å; I291-S293 PolarHBondContact O-N 3.28Å; S293-S296 WeakPolarHBondContact CA-OG 3.24Å; S293-S296 PolarHBondContact O-OG 2.94Å |
| 294 | L | 75.7 | Confident | 66.9 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -80.6 | -25 | 177.7 | -73.5 | 168 | 0 | 0 | 0 | 112.4 | R290 I291 | R290-L294 WeakPolarHBondContact O-CG 3.41Å; R290-L294 PolarHBondContact O-N 3.39Å; I291-L294 PolarHBondContact O-N 3.15Å |
| 295 | Y | 68 | Low | 65.2 | Low | 202 Ų | 202 | 129.5 Ų | 129.5 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -113.2 | 5.4 | 177.3 | -67.4 | -81.5 | 0 | 0 | 0 | 113.4 | I291 E297 | I291-Y295 HydrophobicContact CG2-CD2 4.34Å; I291-Y295 WeakPolarHBondContact O-CD2 3.35Å; I291-Y295 PolarHBondContact O-N 3.2Å; Y295-E297 VanDerWaalsContact C-N 3.26Å; Y295-E297 PolarHBondContact O-N 3.17Å; Y295-E297 VanDerWaalsContact O-N 3.14Å |
| 296 | S | 65.1 | Low | 64.1 | Low | 75 Ų | 75 | 133 Ų | 133 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -83.5 | 74.1 | 165.6 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | R292 S293 | R292-S296 WeakPolarHBondContact O-CB 3.39Å; R292-S296 PolarHBondContact O-N 3.03Å; R292-S296 PolarHBondContact O-OG 3.17Å; S293-S296 WeakPolarHBondContact CA-OG 3.24Å; S293-S296 PolarHBondContact O-OG 2.94Å | ||
| 297 | E | 61.8 | Low | 62.5 | Low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | trans | -59.5 | 130.5 | 167 | -67.4 | -161.8 | 152.5 | 0 | 0 | 109 | Y295 Y299 | Y295-E297 VanDerWaalsContact C-N 3.26Å; Y295-E297 PolarHBondContact O-N 3.17Å; Y295-E297 VanDerWaalsContact O-N 3.14Å; E297-Y299 PolarHBondContact O-N 2.82Å | ||
| 298 | P | 60.3 | Low | 60.6 | Low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -76.8 | 71.8 | 173.3 | 32.8 | -34 | 0 | 0 | 0 | 109.1 | I300 | P298-I300 PolarHBondContact O-N 3.36Š| ||
| 299 | Y | 45.3 | Very low | 58.4 | Low | 199 Ų | 199 | 143 Ų | 143 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | trans | -67.1 | 92.3 | 159.3 | -172.1 | -93 | 0 | 0 | 0 | 107.4 | E297 D301 | E297-Y299 PolarHBondContact O-N 2.82Å; Y299-D301 VanDerWaalsContact C-N 3.25Å; Y299-D301 HydrophobicContact CD1-CB 4.24Å; Y299-D301 HydrophobicContact CE1-CB 4.2Å; Y299-D301 PolarHBondContact O-N 2.8Å | ||
| 300 | I | 51.4 | Low | 56.2 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | trans | -72.1 | 87.9 | 176.1 | -59.6 | 174.3 | 0 | 0 | 0 | 107 | P298 P302 | P298-I300 PolarHBondContact O-N 3.36Å; I300-P302 VanDerWaalsContact O-CD 3.3Å; I300-P302 WeakPolarHBondContact O-CD 3.32Å | ||
| 301 | D | 43.8 | Very low | 54 | Low | 83 Ų | 83 | 140.7 Ų | 140.7 | 44% | 0.444 | 71% | 0.708 | S | S | . | * | trans | -62.6 | 113.6 | 164.9 | -178.9 | -15.7 | 0 | 0 | 0 | 108.1 | Y299 S303 | Y299-D301 VanDerWaalsContact C-N 3.25Å; Y299-D301 HydrophobicContact CD1-CB 4.24Å; Y299-D301 HydrophobicContact CE1-CB 4.2Å; Y299-D301 PolarHBondContact O-N 2.8Å; D301-S303 PolarHBondContact O-N 3.32Å; D301-S303 VanDerWaalsContact O-N 3.12Å; D301-S303 WeakPolarHBondContact OD1-CB 3.42Å; D301-S303 PolarHBondContact OD1-N 3.42Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 PolarHBondContact OD2-OG 2.86Å | ||
| 302 | P | 48.5 | Very low | 52.5 | Low | 109 Ų | 109 | 141.9 Ų | 141.9 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -69.9 | -8.2 | -173.9 | 29.5 | -35.5 | 0 | 0 | 0 | 113.2 | I300 K304 | I300-P302 VanDerWaalsContact O-CD 3.3Å; I300-P302 WeakPolarHBondContact O-CD 3.32Å; P302-K304 PolarHBondContact O-N 2.9Å; P302-K304 VanDerWaalsContact O-N 3.13Å |
| 303 | S | 51.6 | Low | 50.1 | Low | 82 Ų | 82 | 145.7 Ų | 145.7 | 57% | 0.573 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -70.5 | -3.6 | -173.5 | 65 | 0 | 0 | 0 | 0 | 116 | D301 | D301-S303 PolarHBondContact O-N 3.32Å; D301-S303 VanDerWaalsContact O-N 3.12Å; D301-S303 WeakPolarHBondContact OD1-CB 3.42Å; D301-S303 PolarHBondContact OD1-N 3.42Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 PolarHBondContact OD2-OG 2.86Å |
| 304 | K | 44.8 | Very low | 48.2 | Very low | 174 Ų | 174 | 147 Ų | 147 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -127.6 | 21.9 | -170.5 | -62 | -173 | -177.1 | 174.4 | 0 | 116.1 | P302 V306 | P302-K304 PolarHBondContact O-N 2.9Å; P302-K304 VanDerWaalsContact O-N 3.13Å; K304-V306 PolarHBondContact O-N 2.76Å |
| 305 | Q | 42.9 | Very low | 46.5 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -79.5 | 31.3 | 176.4 | -152 | -179 | 10.2 | 0 | 0 | 114.3 | ||||
| 306 | V | 45.4 | Very low | 45.9 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -141.9 | 84.8 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | K304 | K304-V306 PolarHBondContact O-N 2.76Š| ||
| 307 | D | 41.5 | Very low | 44.5 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | -172.6 | 164.6 | 123.3 | -152.8 | -4.1 | 0 | 0 | 0 | 111.7 | |||||
| 308 | R | 39 | Very low | 43.4 | Very low | 201 Ų | 201 | 153.7 Ų | 153.7 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | 63.3 | 82.8 | 157.6 | -75.3 | 158.1 | -141.7 | -148 | -0.6 | 119.3 | ||||
| 309 | Y | 35.3 | Very low | 42.1 | Very low | 235 Ų | 235 | 153.7 Ų | 153.7 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | -41.5 | 135.8 | 123.9 | -85.7 | -120.3 | 0 | 0 | 0 | 112.1 | |||||
| 310 | S | 33.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -175.1 | 134.8 | 131.5 | 29.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 311 | V | 40.9 | Very low | 41.1 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -115.7 | 145.8 | 172.1 | 164.4 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 312 | P | 49.3 | Very low | 40.5 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -156.9 | 164.3 | 63.3 | 33.4 | -7.5 | 0 | 0 | 0 | 120.9 | |||||
| 313 | R | 33 | Very low | 39.8 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 56.8 | 129.7 | 131.9 | -158.9 | 174.9 | -165.9 | -175.1 | 5.1 | 119.5 | ||||
| 314 | S | 34.7 | Very low | 38.7 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | -170.9 | 170.7 | 76.9 | 56.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 315 | K | 40.2 | Very low | 38 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -149.1 | 178.9 | 175.2 | -75.3 | -172 | 177.9 | 179.2 | 0 | 106 | ||||
| 316 | P | 56.2 | Low | 37.5 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | -153 | 177.4 | 19.6 | 45.6 | -24.8 | 0 | 0 | 0 | 119.8 | ||||
| 317 | K | 34.8 | Very low | 36.9 | Very low | 200 Ų | 200 | 140 Ų | 140 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | 172.6 | 125.1 | 138.7 | -95.4 | 166.8 | -179.9 | -179.9 | 0 | 106.3 | ||||
| 318 | K | 39.7 | Very low | 36.6 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | cis | 75.7 | 124.8 | 36.2 | -156.1 | 171.1 | -175.8 | 179.7 | 0 | 111.1 | ||||
| 319 | S | 32.9 | Very low | 37 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | cis | -129.9 | 170 | 35 | 50.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 320 | G | 34.4 | Very low | 36.7 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -104 | -145.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | P | 41.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -138.3 | 170.3 | 30 | 43 | -26.3 | 0 | 0 | 0 | 118.4 | ||||
| 322 | A | 30.7 | Very low | 36.6 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 40.7 | 153.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 323 | A | 32.4 | Very low | 35.8 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -143.6 | 146.7 | 2.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 324 | A | 30.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | 44.2 | 124.7 | 77.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 325 | G | 29.8 | Very low | 35.4 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 178.2 | -177.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 326 | Q | 32.7 | Very low | 35.6 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | 5.4 | 137.3 | 160.6 | -52.6 | -74.6 | -14.1 | 0 | 0 | 119 | ||||
| 327 | G | 30.8 | Very low | 34.6 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | -177.9 | -156.9 | 10.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 328 | K | 35.2 | Very low | 34.4 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -97.3 | 179.8 | -178.4 | -58.2 | 179.8 | -179.7 | 175.6 | 0 | 110.2 | ||||
| 329 | P | 48.5 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -152.8 | 179.7 | 15.7 | 44 | -21.7 | 0 | 0 | 0 | 120.8 | ||||
| 330 | V | 29.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 86.5 | 113.4 | 135.1 | 147.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 331 | R | 34.7 | Very low | 33.7 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 70.7 | 114.5 | 137.2 | -65.8 | -179.3 | 180 | -155.7 | 0.5 | 125.5 | ||||
| 332 | K | 36.6 | Very low | 33.2 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | 59.9 | 112.1 | 121.3 | -66.8 | -154.8 | 177.9 | -167 | 0 | 123.2 | |||||
| 333 | A | 32.2 | Very low | 33.3 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -160.9 | 150.7 | 131.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 334 | K | 32.6 | Very low | 33.3 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | cis | 117 | 123.5 | 10.6 | 176.4 | 72.8 | -160.2 | -162.2 | 0 | 110 | ||||
| 335 | D | 28.5 | Very low | 33.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | trans | 60.8 | 144.8 | -175.8 | -63.2 | -43.6 | 0 | 0 | 0 | 116.6 | ||||
| 336 | K | 43.4 | Very low | 34.1 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | cis | 100.8 | 87.8 | 12.2 | -167.2 | -168.2 | 175.5 | -175.4 | 0 | 115.8 | ||||
| 337 | Q | 35.2 | Very low | 34 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -159.9 | 143.3 | 149.4 | -97.8 | 154.2 | 6.7 | 0 | 0 | 106.9 | ||||
| 338 | S | 30.6 | Very low | 34.2 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | cis | 96.1 | 76.8 | 11 | 87.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 339 | A | 27.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -152.2 | 145 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 340 | A | 28.7 | Very low | 33.1 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | cis | 72.5 | 134.9 | 32.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 341 | L | 36.7 | Very low | 33.1 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | cis | -167.7 | 165 | -3.6 | -126 | 176.2 | 0 | 0 | 0 | 109.9 | ||||
| 342 | K | 30.9 | Very low | 33.2 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 155.8 | 169 | -54 | 156 | -176.6 | 175.4 | 0 | 116.2 | ||||
| 343 | G | 31.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | 137.3 | 123 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 344 | S | 32.6 | Very low | 33.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -153.7 | 112.9 | 171.1 | -152 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 345 | K | 35.6 | Very low | 34 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | 67.6 | 138.9 | 85.6 | -74.2 | -177.4 | 176.3 | 178.9 | 0 | 114.9 | |||||
| 346 | K | 43.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | cis | -174.3 | 143 | -19.1 | -157.8 | -171.1 | -175.8 | -165.2 | 0 | 109.5 | ||||
| 347 | M | 30.2 | Very low | 34.9 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | 171.7 | 112 | 145.7 | -96.8 | -173.1 | 112.8 | 0 | 0 | 107.7 | ||||
| 348 | T | 33.9 | Very low | 35.5 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | 64.2 | 131.1 | 86.7 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 349 | S | 34.4 | Very low | 36.2 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -117.7 | -156.2 | 9.4 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 350 | E | 27.3 | Very low | 37.3 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | -149.5 | -125.8 | 5.8 | -162.2 | 130.3 | 136.6 | 0 | 0 | 114.6 | ||||
| 351 | N | 28.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -99 | 167.8 | -158.2 | -81.3 | -54 | 0 | 0 | 0 | 116 | ||||
| 352 | Q | 36.9 | Very low | 39.9 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | trans | -121.7 | 163.3 | -167.5 | -103.9 | -121.6 | 15.1 | 0 | 0 | 111 | E354 | Q352-E354 PolarHBondContact NE2-OE1 3.07Š| ||
| 353 | P | 45 | Very low | 41.6 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 70% | 0.7 | S | S | * | * | -139.1 | 156.4 | 64 | 37.4 | -18.8 | 0 | 0 | 0 | 118.3 | |||||
| 354 | E | 38.5 | Very low | 43.5 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -70.1 | 136.6 | 176.3 | -84 | 161.3 | -151.7 | 0 | 0 | 115.5 | Q352 | Q352-E354 PolarHBondContact NE2-OE1 3.07Š| ||
| 355 | N | 34.3 | Very low | 45.4 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -155 | 112.8 | 130.1 | -123.9 | -91 | 0 | 0 | 0 | 114.9 | ||||
| 356 | R | 44.9 | Very low | 47.6 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | 44.5 | 81.8 | 147.1 | -155 | 175.8 | -161.4 | 172.1 | 5.1 | 118.5 | ||||
| 357 | P | 45.8 | Very low | 49.2 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -37.5 | -177.5 | 27 | -34.6 | 0 | 0 | 0 | 115.2 | V359 R360 | P357-V359 PolarHBondContact O-N 3.2Å; P357-R360 PolarHBondContact O-N 3.09Å |
| 358 | A | 48.3 | Very low | 51.4 | Low | 71 Ų | 71 | 122.8 Ų | 122.8 | 59% | 0.587 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -6.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 359 | V | 44.4 | Very low | 53.6 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -99.1 | -47.8 | 175.5 | -178 | 0 | 0 | 0 | 0 | 110.8 | P357 D361 K362 E363 | P357-V359 PolarHBondContact O-N 3.2Å; V359-D361 VanDerWaalsContact C-N 3.26Å; V359-D361 PolarHBondContact O-N 3.34Å; V359-K362 WeakPolarHBondContact O-CB 3.02Å; V359-K362 PolarHBondContact O-N 3.22Å; V359-E363 PolarHBondContact O-N 3.39Å |
| 360 | R | 50.9 | Low | 56.2 | Low | 172 Ų | 172 | 122.5 Ų | 122.5 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.3 | -32.4 | -172.9 | -154.9 | 178.6 | -175.1 | -174.4 | 2.3 | 112.6 | P357 E363 K364 | P357-R360 PolarHBondContact O-N 3.09Å; R360-E363 WeakPolarHBondContact O-CB 3.41Å; R360-E363 PolarHBondContact O-N 2.83Å; R360-K364 WeakPolarHBondContact O-CG 3.49Å; R360-K364 PolarHBondContact O-N 2.97Å |
| 361 | D | 57.4 | Low | 58.9 | Low | 80 Ų | 80 | 120.2 Ų | 120.2 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.4 | -21.8 | 178.6 | -58.9 | -33.1 | 0 | 0 | 0 | 113.1 | V359 E363 K364 S365 | V359-D361 VanDerWaalsContact C-N 3.26Å; V359-D361 PolarHBondContact O-N 3.34Å; D361-E363 VanDerWaalsContact C-N 3.28Å; D361-K364 WeakPolarHBondContact OD1-CD 3.3Å; D361-K364 WeakPolarHBondContact OD1-CE 3.37Å; D361-K364 IonicContact OD1-NZ 2.69Å; D361-K364 PolarHBondContact OD1-NZ 3.14Å; D361-S365 VanDerWaalsContact O-CB 3.3Å; D361-S365 WeakPolarHBondContact O-CB 3.4Å; D361-S365 PolarHBondContact O-N 3.12Å; D361-S365 VanDerWaalsContact O-N 3.09Å; D361-S365 PolarHBondContact O-OG 3.24Å |
| 362 | K | 63.2 | Low | 61.3 | Low | 146 Ų | 146 | 117.5 Ų | 117.5 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.9 | -16.4 | 169.3 | -67.5 | -177.1 | 178.1 | 179.8 | 0 | 113 | V359 S365 K366 | V359-K362 WeakPolarHBondContact O-CB 3.02Å; V359-K362 PolarHBondContact O-N 3.22Å; K362-S365 WeakPolarHBondContact CA-OG 3.48Å; K362-K366 WeakPolarHBondContact O-CD 3.35Å; K362-K366 WeakPolarHBondContact O-CG 3.4Å |
| 363 | E | 67.8 | Low | 63.2 | Low | 132 Ų | 132 | 113.6 Ų | 113.6 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87.1 | -54.5 | 174.2 | -171 | 168.1 | -140.2 | 0 | 0 | 109.8 | V359 R360 D361 S365 K366 E367 | V359-E363 PolarHBondContact O-N 3.39Å; R360-E363 WeakPolarHBondContact O-CB 3.41Å; R360-E363 PolarHBondContact O-N 2.83Å; D361-E363 VanDerWaalsContact C-N 3.28Å; E363-S365 VanDerWaalsContact C-N 3.28Å; E363-S365 PolarHBondContact O-N 2.82Å; E363-K366 WeakPolarHBondContact O-CB 3.38Å; E363-K366 PolarHBondContact O-N 2.88Å; E363-E367 PolarHBondContact O-N 3.36Å |
| 364 | K | 70.9 | Confident | 64.8 | Low | 92 Ų | 92 | 112 Ų | 112 | 40% | 0.4 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -51.5 | -42.8 | 172.7 | -65.7 | 170 | -166.8 | 163.9 | 0 | 113 | R360 D361 K366 E367 I368 | R360-K364 WeakPolarHBondContact O-CG 3.49Å; R360-K364 PolarHBondContact O-N 2.97Å; D361-K364 WeakPolarHBondContact OD1-CD 3.3Å; D361-K364 WeakPolarHBondContact OD1-CE 3.37Å; D361-K364 IonicContact OD1-NZ 2.69Å; D361-K364 PolarHBondContact OD1-NZ 3.14Å; K364-K366 VanDerWaalsContact C-N 3.33Å; K364-K366 PolarHBondContact O-N 3.44Å; K364-E367 WeakPolarHBondContact O-CB 3.47Å; K364-E367 PolarHBondContact O-N 2.91Å; K364-I368 WeakPolarHBondContact O-CB 3.32Å; K364-I368 WeakPolarHBondContact O-CD1 3.44Å; K364-I368 VanDerWaalsContact O-CG1 3.23Å; K364-I368 WeakPolarHBondContact O-CG1 3.5Å; K364-I368 PolarHBondContact O-N 3.47Å |
| 365 | S | 72.5 | Confident | 66.8 | Low | 65 Ų | 65 | 107.4 Ų | 107.4 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -30.1 | -179.4 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | D361 K362 E363 N369 | D361-S365 VanDerWaalsContact O-CB 3.3Å; D361-S365 WeakPolarHBondContact O-CB 3.4Å; D361-S365 PolarHBondContact O-N 3.12Å; D361-S365 VanDerWaalsContact O-N 3.09Å; D361-S365 PolarHBondContact O-OG 3.24Å; K362-S365 WeakPolarHBondContact CA-OG 3.48Å; E363-S365 VanDerWaalsContact C-N 3.28Å; E363-S365 PolarHBondContact O-N 2.82Å; S365-N369 VanDerWaalsContact O-CB 3.32Å; S365-N369 WeakPolarHBondContact O-CB 3.24Å; S365-N369 PolarHBondContact O-N 3.06Å |
| 366 | K | 80.7 | Confident | 69.1 | Low | 157 Ų | 157 | 106 Ų | 106 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.8 | -42.4 | 169.3 | -68.7 | 173.1 | -177.6 | -176.7 | 0 | 111.4 | K362 E363 K364 N369 N370 | K362-K366 WeakPolarHBondContact O-CD 3.35Å; K362-K366 WeakPolarHBondContact O-CG 3.4Å; E363-K366 WeakPolarHBondContact O-CB 3.38Å; E363-K366 PolarHBondContact O-N 2.88Å; K364-K366 VanDerWaalsContact C-N 3.33Å; K364-K366 PolarHBondContact O-N 3.44Å; K366-N369 PolarHBondContact O-N 2.74Å; K366-N370 WeakPolarHBondContact O-CB 3.39Å; K366-N370 PolarHBondContact O-N 2.85Å |
| 367 | E | 77.6 | Confident | 70.7 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.8 | -164.2 | -163.3 | 147.2 | 0 | 0 | 111.8 | E363 K364 N370 K371 | E363-E367 PolarHBondContact O-N 3.36Å; K364-E367 WeakPolarHBondContact O-CB 3.47Å; K364-E367 PolarHBondContact O-N 2.91Å; E367-N370 PolarHBondContact O-N 3.37Å; E367-K371 HydrophobicContact CG-CD 4.41Å; E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 WeakPolarHBondContact O-CG 3.48Å; E367-K371 PolarHBondContact O-N 3.22Å; E367-K371 WeakPolarHBondContact OE1-CE 3.35Å; E367-K371 IonicContact OE1-NZ 3.93Å; E367-K371 PolarHBondContact OE1-NZ 2.95Å |
| 368 | I | 76.8 | Confident | 72.3 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 174.7 | -67.9 | 162.6 | 0 | 0 | 0 | 110.9 | K364 K371 L372 | K364-I368 WeakPolarHBondContact O-CB 3.32Å; K364-I368 WeakPolarHBondContact O-CD1 3.44Å; K364-I368 VanDerWaalsContact O-CG1 3.23Å; K364-I368 WeakPolarHBondContact O-CG1 3.5Å; K364-I368 PolarHBondContact O-N 3.47Å; I368-K371 PolarHBondContact O-N 2.97Å; I368-L372 WeakPolarHBondContact O-CB 3.39Å; I368-L372 PolarHBondContact O-N 3.3Å |
| 369 | N | 80.1 | Confident | 73.9 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 176.6 | -161.4 | -93.4 | 0 | 0 | 0 | 111.9 | S365 K366 L372 A373 | S365-N369 VanDerWaalsContact O-CB 3.32Å; S365-N369 WeakPolarHBondContact O-CB 3.24Å; S365-N369 PolarHBondContact O-N 3.06Å; K366-N369 PolarHBondContact O-N 2.74Å; N369-L372 PolarHBondContact O-N 3.33Å; N369-A373 PolarHBondContact O-N 2.86Å |
| 370 | N | 87.4 | Confident | 75.7 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 173.9 | -171.5 | 44.1 | 0 | 0 | 0 | 111.4 | K366 E367 L372 A373 E374 | K366-N370 WeakPolarHBondContact O-CB 3.39Å; K366-N370 PolarHBondContact O-N 2.85Å; E367-N370 PolarHBondContact O-N 3.37Å; N370-L372 PolarHBondContact O-N 2.89Å; N370-A373 CarbonylContact O-C 3.6Å; N370-A373 WeakPolarHBondContact O-CA 3.44Å; N370-A373 WeakPolarHBondContact O-CB 3.29Å; N370-A373 PolarHBondContact O-N 3.5Å; N370-E374 PolarHBondContact ND2-OE1 2.9Å; N370-E374 WeakPolarHBondContact O-CG 3.2Å; N370-E374 PolarHBondContact O-N 2.93Å |
| 371 | K | 84 | Confident | 77.2 | Confident | 112 Ų | 112 | 101.3 Ų | 101.3 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -32.1 | 173.9 | -75.1 | 171.4 | 172.5 | 175.1 | 0 | 112.7 | E367 I368 A375 | E367-K371 HydrophobicContact CG-CD 4.41Å; E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 WeakPolarHBondContact O-CG 3.48Å; E367-K371 PolarHBondContact O-N 3.22Å; E367-K371 WeakPolarHBondContact OE1-CE 3.35Å; E367-K371 IonicContact OE1-NZ 3.93Å; E367-K371 PolarHBondContact OE1-NZ 2.95Å; I368-K371 PolarHBondContact O-N 2.97Å; K371-A375 WeakPolarHBondContact O-CB 3.33Å; K371-A375 PolarHBondContact O-N 3.43Å |
| 372 | L | 80 | Confident | 78.3 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.5 | -27.1 | 172.6 | -176 | 61.9 | 0 | 0 | 0 | 113 | I368 N369 N370 K376 | I368-L372 WeakPolarHBondContact O-CB 3.39Å; I368-L372 PolarHBondContact O-N 3.3Å; N369-L372 PolarHBondContact O-N 3.33Å; N370-L372 PolarHBondContact O-N 2.89Å; L372-K376 WeakPolarHBondContact O-CD 3.22Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.48Å |
| 373 | A | 77.8 | Confident | 79 | Confident | 48 Ų | 48 | 102.6 Ų | 102.6 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.6 | -47.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N369 N370 A375 K376 E377 | N369-A373 PolarHBondContact O-N 2.86Å; N370-A373 CarbonylContact O-C 3.6Å; N370-A373 WeakPolarHBondContact O-CA 3.44Å; N370-A373 WeakPolarHBondContact O-CB 3.29Å; N370-A373 PolarHBondContact O-N 3.5Å; A373-A375 VanDerWaalsContact C-N 3.34Å; A373-A375 PolarHBondContact O-N 3.12Å; A373-K376 WeakPolarHBondContact O-CB 3.46Å; A373-K376 PolarHBondContact O-N 3.27Å; A373-K376 VanDerWaalsContact O-N 3.12Å; A373-E377 PolarHBondContact O-N 3.27Å |
| 374 | E | 78.4 | Confident | 79.6 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 172.5 | -69.3 | 168.1 | -176.8 | 0 | 0 | 111.1 | N370 K376 E377 V378 | N370-E374 PolarHBondContact ND2-OE1 2.9Å; N370-E374 WeakPolarHBondContact O-CG 3.2Å; N370-E374 PolarHBondContact O-N 2.93Å; E374-K376 VanDerWaalsContact C-N 3.33Å; E374-K376 PolarHBondContact O-N 3.06Å; E374-E377 WeakPolarHBondContact O-CB 3.32Å; E374-E377 PolarHBondContact O-N 2.84Å; E374-E377 VanDerWaalsContact O-N 3.14Å; E374-V378 WeakPolarHBondContact O-CG2 3.32Å; E374-V378 PolarHBondContact O-N 3.34Å |
| 375 | A | 79.6 | Confident | 80 | Confident | 50 Ų | 50 | 104.2 Ų | 104.2 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | K371 A373 V378 V379 | K371-A375 WeakPolarHBondContact O-CB 3.33Å; K371-A375 PolarHBondContact O-N 3.43Å; A373-A375 VanDerWaalsContact C-N 3.34Å; A373-A375 PolarHBondContact O-N 3.12Å; A375-V378 PolarHBondContact O-N 3.16Å; A375-V379 WeakPolarHBondContact O-CG2 3.26Å; A375-V379 PolarHBondContact O-N 2.98Å |
| 376 | K | 82.2 | Confident | 80.2 | Confident | 124 Ų | 124 | 105 Ų | 105 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 173.1 | -74.9 | 166.8 | -176 | 175 | 0 | 111.7 | L372 A373 E374 V379 L380 | L372-K376 WeakPolarHBondContact O-CD 3.22Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.48Å; A373-K376 WeakPolarHBondContact O-CB 3.46Å; A373-K376 PolarHBondContact O-N 3.27Å; A373-K376 VanDerWaalsContact O-N 3.12Å; E374-K376 VanDerWaalsContact C-N 3.33Å; E374-K376 PolarHBondContact O-N 3.06Å; K376-V379 PolarHBondContact O-N 3.18Å; K376-L380 WeakPolarHBondContact O-CB 3.37Å; K376-L380 VanDerWaalsContact O-CG 3.29Å; K376-L380 WeakPolarHBondContact O-CG 3.46Å; K376-L380 PolarHBondContact O-N 3Å |
| 377 | E | 78.8 | Confident | 79.9 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 175.8 | -159.3 | -164.6 | 162.5 | 0 | 0 | 111.4 | A373 E374 L380 K381 | A373-E377 PolarHBondContact O-N 3.27Å; E374-E377 WeakPolarHBondContact O-CB 3.32Å; E374-E377 PolarHBondContact O-N 2.84Å; E374-E377 VanDerWaalsContact O-N 3.14Å; E377-L380 PolarHBondContact O-N 3.26Å; E377-K381 VanDerWaalsContact CD-NZ 3.28Å; E377-K381 HydrophobicContact CG-CD 4.45Å; E377-K381 WeakPolarHBondContact O-CB 3.37Å; E377-K381 VanDerWaalsContact O-CG 3.3Å; E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 PolarHBondContact O-N 3.04Å; E377-K381 WeakPolarHBondContact OE1-CE 3.44Å; E377-K381 IonicContact OE1-NZ 3.74Å; E377-K381 PolarHBondContact OE1-NZ 3.05Å; E377-K381 IonicContact OE2-NZ 3.03Å |
| 378 | V | 79.4 | Confident | 79.7 | Confident | 88 Ų | 88 | 101.5 Ų | 101.5 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | E374 A375 L380 K381 Q382 | E374-V378 WeakPolarHBondContact O-CG2 3.32Å; E374-V378 PolarHBondContact O-N 3.34Å; A375-V378 PolarHBondContact O-N 3.16Å; V378-L380 PolarHBondContact O-N 2.84Å; V378-K381 PolarHBondContact O-N 2.62Å; V378-Q382 VanDerWaalsContact O-CB 3.32Å; V378-Q382 WeakPolarHBondContact O-CB 3.21Å; V378-Q382 PolarHBondContact O-N 2.84Å |
| 379 | V | 81.9 | Confident | 79.2 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 112 | A375 K376 Q382 Y383 | A375-V379 WeakPolarHBondContact O-CG2 3.26Å; A375-V379 PolarHBondContact O-N 2.98Å; K376-V379 PolarHBondContact O-N 3.18Å; V379-Q382 WeakPolarHBondContact O-CB 3.46Å; V379-Q382 PolarHBondContact O-N 3.24Å; V379-Y383 WeakPolarHBondContact O-CB 3.44Å; V379-Y383 PolarHBondContact O-N 3.12Å |
| 380 | L | 83.3 | Confident | 78.4 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.6 | -41 | 174.5 | -74.7 | 166.9 | 0 | 0 | 0 | 112 | K376 E377 V378 Y383 H384 | K376-L380 WeakPolarHBondContact O-CB 3.37Å; K376-L380 VanDerWaalsContact O-CG 3.29Å; K376-L380 WeakPolarHBondContact O-CG 3.46Å; K376-L380 PolarHBondContact O-N 3Å; E377-L380 PolarHBondContact O-N 3.26Å; V378-L380 PolarHBondContact O-N 2.84Å; L380-Y383 PolarHBondContact O-N 2.92Å; L380-H384 WeakPolarHBondContact O-CB 3.34Å; L380-H384 PolarHBondContact O-N 2.93Å |
| 381 | K | 81.6 | Confident | 77.3 | Confident | 122 Ų | 122 | 96 Ų | 96 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 172.7 | -75.5 | 170.4 | -178.3 | 167.9 | 0 | 111.7 | E377 V378 H384 Y385 | E377-K381 VanDerWaalsContact CD-NZ 3.28Å; E377-K381 HydrophobicContact CG-CD 4.45Å; E377-K381 WeakPolarHBondContact O-CB 3.37Å; E377-K381 VanDerWaalsContact O-CG 3.3Å; E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 PolarHBondContact O-N 3.04Å; E377-K381 WeakPolarHBondContact OE1-CE 3.44Å; E377-K381 IonicContact OE1-NZ 3.74Å; E377-K381 PolarHBondContact OE1-NZ 3.05Å; E377-K381 IonicContact OE2-NZ 3.03Å; V378-K381 PolarHBondContact O-N 2.62Å; K381-H384 PolarHBondContact O-N 3.23Å; K381-Y385 VanDerWaalsContact O-CB 3.24Å; K381-Y385 WeakPolarHBondContact O-CB 3.48Å; K381-Y385 PolarHBondContact O-N 3.28Å |
| 382 | Q | 81 | Confident | 76.2 | Confident | 111 Ų | 111 | 96.3 Ų | 96.3 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.2 | -168 | 76.3 | 18.9 | 0 | 0 | 110.9 | V378 V379 Y385 I386 | V378-Q382 VanDerWaalsContact O-CB 3.32Å; V378-Q382 WeakPolarHBondContact O-CB 3.21Å; V378-Q382 PolarHBondContact O-N 2.84Å; V379-Q382 WeakPolarHBondContact O-CB 3.46Å; V379-Q382 PolarHBondContact O-N 3.24Å; Q382-Y385 PolarHBondContact O-N 3.29Å; Q382-I386 HydrophobicContact CG-CD1 4.21Å; Q382-I386 WeakPolarHBondContact O-CD1 3.45Å; Q382-I386 VanDerWaalsContact O-CG1 3.24Å; Q382-I386 WeakPolarHBondContact O-CG1 3.35Å; Q382-I386 PolarHBondContact O-N 3.11Å |
| 383 | Y | 78.1 | Confident | 75.2 | Confident | 141 Ų | 141 | 100.2 Ų | 100.2 | 55% | 0.553 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 177.3 | -175.1 | -102.7 | 0 | 0 | 0 | 112 | V379 L380 I386 Q387 | V379-Y383 WeakPolarHBondContact O-CB 3.44Å; V379-Y383 PolarHBondContact O-N 3.12Å; L380-Y383 PolarHBondContact O-N 2.92Å; Y383-I386 PolarHBondContact O-N 3.14Å; Y383-Q387 HydrophobicContact CD1-CG 4.39Å; Y383-Q387 VanDerWaalsContact CE1-CD 3.4Å; Y383-Q387 HydrophobicContact CE1-CG 4.09Å; Y383-Q387 VanDerWaalsContact CE1-NE2 3.29Å; Y383-Q387 WeakPolarHBondContact O-CG 3.4Å; Y383-Q387 PolarHBondContact O-N 3.12Å; Y383-Q387 PolarHBondContact OH-NE2 3.14Å |
| 384 | H | 80.3 | Confident | 74.4 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 177.7 | -160.9 | 59.6 | 0 | 0 | 0 | 112.2 | L380 K381 Q387 L388 | L380-H384 WeakPolarHBondContact O-CB 3.34Å; L380-H384 PolarHBondContact O-N 2.93Å; K381-H384 PolarHBondContact O-N 3.23Å; H384-Q387 PolarHBondContact O-N 3.09Å; H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 VanDerWaalsContact O-CG 3.29Å; H384-L388 WeakPolarHBondContact O-CG 3.42Å; H384-L388 PolarHBondContact O-N 3.05Å |
| 385 | Y | 78.2 | Confident | 73.9 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 171 | 178.5 | -101 | 0 | 0 | 0 | 111.7 | K381 Q382 L388 C389 | K381-Y385 VanDerWaalsContact O-CB 3.24Å; K381-Y385 WeakPolarHBondContact O-CB 3.48Å; K381-Y385 PolarHBondContact O-N 3.28Å; Q382-Y385 PolarHBondContact O-N 3.29Å; Y385-L388 PolarHBondContact O-N 3.22Å; Y385-C389 VanDerWaalsContact CE2-SG 3.58Å; Y385-C389 VanDerWaalsContact CZ-SG 3.59Å; Y385-C389 VanDerWaalsContact O-CB 3.29Å; Y385-C389 WeakPolarHBondContact O-CB 3.37Å; Y385-C389 PolarHBondContact O-N 3.21Å; Y385-C389 PolarHBondContact O-SG 3.4Å; Y385-C389 VanDerWaalsContact O-SG 3.4Å |
| 386 | I | 76.4 | Confident | 73.3 | Confident | 80 Ų | 80 | 101.7 Ų | 101.7 | 41% | 0.41 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.1 | -70.6 | 162.5 | 0 | 0 | 0 | 110.6 | Q382 Y383 L388 C389 Q390 | Q382-I386 HydrophobicContact CG-CD1 4.21Å; Q382-I386 WeakPolarHBondContact O-CD1 3.45Å; Q382-I386 VanDerWaalsContact O-CG1 3.24Å; Q382-I386 WeakPolarHBondContact O-CG1 3.35Å; Q382-I386 PolarHBondContact O-N 3.11Å; Y383-I386 PolarHBondContact O-N 3.14Å; I386-L388 PolarHBondContact O-N 3.27Å; I386-C389 PolarHBondContact O-N 3.25Å; I386-Q390 HydrophobicContact CG2-CG 4.3Å; I386-Q390 WeakPolarHBondContact O-CB 3.44Å; I386-Q390 VanDerWaalsContact O-CG 3.31Å; I386-Q390 WeakPolarHBondContact O-CG 3.46Å; I386-Q390 PolarHBondContact O-N 2.82Å |
| 387 | Q | 75.6 | Confident | 72.6 | Confident | 83 Ų | 83 | 105 Ų | 105 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.9 | -73.2 | -175.4 | -42.5 | 0 | 0 | 113.2 | Y383 H384 P391 | Y383-Q387 HydrophobicContact CD1-CG 4.39Å; Y383-Q387 VanDerWaalsContact CE1-CD 3.4Å; Y383-Q387 HydrophobicContact CE1-CG 4.09Å; Y383-Q387 VanDerWaalsContact CE1-NE2 3.29Å; Y383-Q387 WeakPolarHBondContact O-CG 3.4Å; Y383-Q387 PolarHBondContact O-N 3.12Å; Y383-Q387 PolarHBondContact OH-NE2 3.14Å; H384-Q387 PolarHBondContact O-N 3.09Å; Q387-P391 WeakPolarHBondContact O-CD 3.3Å |
| 388 | L | 72.7 | Confident | 72.2 | Confident | 102 Ų | 102 | 104.7 Ų | 104.7 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 176.9 | -71.1 | 168 | 0 | 0 | 0 | 112.4 | H384 Y385 I386 | H384-L388 WeakPolarHBondContact O-CB 3.32Å; H384-L388 VanDerWaalsContact O-CG 3.29Å; H384-L388 WeakPolarHBondContact O-CG 3.42Å; H384-L388 PolarHBondContact O-N 3.05Å; Y385-L388 PolarHBondContact O-N 3.22Å; I386-L388 PolarHBondContact O-N 3.27Å |
| 389 | C | 66.3 | Low | 71.6 | Confident | 30 Ų | 30 | 106.3 Ų | 106.3 | 20% | 0.203 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -86 | -16.6 | 179.6 | -69.6 | 0 | 0 | 0 | 0 | 114.2 | Y385 I386 I392 R393 | Y385-C389 VanDerWaalsContact CE2-SG 3.58Å; Y385-C389 VanDerWaalsContact CZ-SG 3.59Å; Y385-C389 VanDerWaalsContact O-CB 3.29Å; Y385-C389 WeakPolarHBondContact O-CB 3.37Å; Y385-C389 PolarHBondContact O-N 3.21Å; Y385-C389 PolarHBondContact O-SG 3.4Å; Y385-C389 VanDerWaalsContact O-SG 3.4Å; I386-C389 PolarHBondContact O-N 3.25Å; C389-I392 PolarHBondContact O-N 2.86Å; C389-R393 WeakPolarHBondContact O-CB 3.18Å; C389-R393 VanDerWaalsContact O-CG 3.29Å; C389-R393 WeakPolarHBondContact O-CG 3.31Å; C389-R393 PolarHBondContact O-N 3.15Å |
| 390 | Q | 63.2 | Low | 71 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.4 | -57.6 | 174.6 | -88.6 | 174.4 | -69.3 | 0 | 0 | 111.6 | I386 I392 R393 D394 | I386-Q390 HydrophobicContact CG2-CG 4.3Å; I386-Q390 WeakPolarHBondContact O-CB 3.44Å; I386-Q390 VanDerWaalsContact O-CG 3.31Å; I386-Q390 WeakPolarHBondContact O-CG 3.46Å; I386-Q390 PolarHBondContact O-N 2.82Å; Q390-I392 PolarHBondContact O-N 2.98Å; Q390-I392 VanDerWaalsContact O-N 3.16Å; Q390-R393 PolarHBondContact O-N 2.83Å; Q390-R393 VanDerWaalsContact O-N 3.07Å; Q390-D394 WeakPolarHBondContact O-CB 3.46Å; Q390-D394 PolarHBondContact O-N 3.09Å |
| 391 | P | 64 | Low | 70.3 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 176.7 | -26.9 | 34.7 | 0 | 0 | 0 | 113.9 | Q387 D394 I395 | Q387-P391 WeakPolarHBondContact O-CD 3.3Å; P391-D394 PolarHBondContact O-N 2.7Å; P391-I395 VanDerWaalsContact O-CB 3.31Å; P391-I395 WeakPolarHBondContact O-CB 3.45Å; P391-I395 WeakPolarHBondContact O-CD1 3.39Å; P391-I395 WeakPolarHBondContact O-CG1 3.44Å; P391-I395 PolarHBondContact O-N 2.73Å |
| 392 | I | 60.9 | Low | 69.8 | Low | 120 Ų | 120 | 106 Ų | 106 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 179.8 | -57.7 | 175.4 | 0 | 0 | 0 | 110.7 | C389 Q390 G396 | C389-I392 PolarHBondContact O-N 2.86Å; Q390-I392 PolarHBondContact O-N 2.98Å; Q390-I392 VanDerWaalsContact O-N 3.16Å; I392-G396 PolarHBondContact O-N 3.37Å |
| 393 | R | 58.7 | Low | 69.4 | Low | 172 Ų | 172 | 107.9 Ų | 107.9 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 174.5 | -73.4 | 169.1 | 57.9 | 153.3 | 1 | 111.4 | C389 Q390 G396 W397 | C389-R393 WeakPolarHBondContact O-CB 3.18Å; C389-R393 VanDerWaalsContact O-CG 3.29Å; C389-R393 WeakPolarHBondContact O-CG 3.31Å; C389-R393 PolarHBondContact O-N 3.15Å; Q390-R393 PolarHBondContact O-N 2.83Å; Q390-R393 VanDerWaalsContact O-N 3.07Å; R393-G396 PolarHBondContact O-N 3.46Å; R393-W397 WeakPolarHBondContact O-CB 3.18Å; R393-W397 PolarHBondContact O-N 3.32Å |
| 394 | D | 62.7 | Low | 69 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | -177.7 | -61 | -24.4 | 0 | 0 | 0 | 111 | Q390 P391 W397 V398 | Q390-D394 WeakPolarHBondContact O-CB 3.46Å; Q390-D394 PolarHBondContact O-N 3.09Å; P391-D394 PolarHBondContact O-N 2.7Å; D394-W397 PolarHBondContact O-N 3.29Å; D394-V398 WeakPolarHBondContact O-CB 3.47Å; D394-V398 VanDerWaalsContact O-CG2 3.27Å; D394-V398 WeakPolarHBondContact O-CG2 3.23Å; D394-V398 PolarHBondContact O-N 3.22Å |
| 395 | I | 67.6 | Low | 68.5 | Low | 100 Ų | 100 | 107.3 Ų | 107.3 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 170.4 | -70.3 | 163.6 | 0 | 0 | 0 | 110.8 | P391 W397 V398 Q399 | P391-I395 VanDerWaalsContact O-CB 3.31Å; P391-I395 WeakPolarHBondContact O-CB 3.45Å; P391-I395 WeakPolarHBondContact O-CD1 3.39Å; P391-I395 WeakPolarHBondContact O-CG1 3.44Å; P391-I395 PolarHBondContact O-N 2.73Å; I395-W397 PolarHBondContact O-N 3.23Å; I395-V398 PolarHBondContact O-N 3.4Å; I395-Q399 HydrophobicContact CG2-CG 4.44Å; I395-Q399 WeakPolarHBondContact O-CB 3.45Å; I395-Q399 WeakPolarHBondContact O-CG 3.39Å; I395-Q399 PolarHBondContact O-N 2.96Å |
| 396 | G | 67.5 | Low | 68 | Low | 29 Ų | 29 | 109.2 Ų | 109.2 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I392 R393 T400 | I392-G396 PolarHBondContact O-N 3.37Å; R393-G396 PolarHBondContact O-N 3.46Å; G396-T400 WeakPolarHBondContact O-CB 3.3Å; G396-T400 PolarHBondContact O-N 3.46Å; G396-T400 PolarHBondContact O-OG1 2.79Å |
| 397 | W | 67.3 | Low | 67.2 | Low | 193 Ų | 193 | 108.1 Ų | 108.1 | 73% | 0.731 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.3 | -44 | 172.9 | -94.4 | 81.5 | 0 | 0 | 0 | 112.1 | R393 D394 I395 Q399 T400 L401 | R393-W397 WeakPolarHBondContact O-CB 3.18Å; R393-W397 PolarHBondContact O-N 3.32Å; D394-W397 PolarHBondContact O-N 3.29Å; I395-W397 PolarHBondContact O-N 3.23Å; W397-Q399 VanDerWaalsContact C-N 3.33Å; W397-Q399 PolarHBondContact O-N 2.66Å; W397-T400 PolarHBondContact O-N 3.09Å; W397-L401 WeakPolarHBondContact O-CB 3.44Å; W397-L401 PolarHBondContact O-N 3.04Å |
| 398 | V | 69.6 | Low | 66.2 | Low | 94 Ų | 94 | 108.8 Ų | 108.8 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.8 | -36.6 | 176.6 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | D394 I395 K402 | D394-V398 WeakPolarHBondContact O-CB 3.47Å; D394-V398 VanDerWaalsContact O-CG2 3.27Å; D394-V398 WeakPolarHBondContact O-CG2 3.23Å; D394-V398 PolarHBondContact O-N 3.22Å; I395-V398 PolarHBondContact O-N 3.4Å; V398-K402 WeakPolarHBondContact O-CB 3.45Å; V398-K402 PolarHBondContact O-N 3.01Å |
| 399 | Q | 66.9 | Low | 65.1 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 58% | 0.575 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.7 | -49.6 | 173.1 | -75 | 179.8 | 0.9 | 0 | 0 | 111.6 | I395 W397 L401 K402 Q403 | I395-Q399 HydrophobicContact CG2-CG 4.44Å; I395-Q399 WeakPolarHBondContact O-CB 3.45Å; I395-Q399 WeakPolarHBondContact O-CG 3.39Å; I395-Q399 PolarHBondContact O-N 2.96Å; W397-Q399 VanDerWaalsContact C-N 3.33Å; W397-Q399 PolarHBondContact O-N 2.66Å; Q399-L401 VanDerWaalsContact C-N 3.34Å; Q399-L401 PolarHBondContact O-N 3.32Å; Q399-K402 PolarHBondContact O-N 3.22Å; Q399-Q403 VanDerWaalsContact O-CB 3.31Å; Q399-Q403 WeakPolarHBondContact O-CB 3.21Å; Q399-Q403 PolarHBondContact O-N 2.92Å |
| 400 | T | 69.2 | Low | 64 | Low | 91 Ų | 91 | 112.1 Ų | 112.1 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.8 | -44.2 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | G396 W397 Q403 H404 | G396-T400 WeakPolarHBondContact O-CB 3.3Å; G396-T400 PolarHBondContact O-N 3.46Å; G396-T400 PolarHBondContact O-OG1 2.79Å; W397-T400 PolarHBondContact O-N 3.09Å; T400-Q403 PolarHBondContact O-N 3.01Å; T400-H404 WeakPolarHBondContact O-CB 3.43Å; T400-H404 PolarHBondContact O-N 2.96Å |
| 401 | L | 68.9 | Low | 63.1 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 177.7 | -172.4 | 72.7 | 0 | 0 | 0 | 111.5 | W397 Q399 Q403 H404 L405 | W397-L401 WeakPolarHBondContact O-CB 3.44Å; W397-L401 PolarHBondContact O-N 3.04Å; Q399-L401 VanDerWaalsContact C-N 3.34Å; Q399-L401 PolarHBondContact O-N 3.32Å; L401-Q403 VanDerWaalsContact C-N 3.32Å; L401-Q403 PolarHBondContact O-N 2.69Å; L401-H404 PolarHBondContact O-N 2.97Å; L401-L405 HydrophobicContact CD1-CD1 4.15Å; L401-L405 HydrophobicContact CG-CD1 4.1Å; L401-L405 VanDerWaalsContact O-CD1 3.26Å; L401-L405 WeakPolarHBondContact O-CD1 3.34Å; L401-L405 PolarHBondContact O-N 2.85Å |
| 402 | K | 71.6 | Confident | 62.1 | Low | 138 Ų | 138 | 115.7 Ų | 115.7 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.2 | -39.5 | 174.9 | -178.8 | 179.2 | 178.5 | -178.1 | 0 | 111.7 | V398 Q399 L405 W406 | V398-K402 WeakPolarHBondContact O-CB 3.45Å; V398-K402 PolarHBondContact O-N 3.01Å; Q399-K402 PolarHBondContact O-N 3.22Å; K402-L405 PolarHBondContact O-N 3.03Å; K402-W406 WeakPolarHBondContact O-CB 3.49Å; K402-W406 PolarHBondContact O-N 3.23Å |
| 403 | Q | 71.4 | Confident | 61.3 | Low | 151 Ų | 151 | 115.3 Ų | 115.3 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -37.2 | 178.1 | -163.9 | 168.5 | 16.4 | 0 | 0 | 111.5 | Q399 T400 L401 W406 G407 | Q399-Q403 VanDerWaalsContact O-CB 3.31Å; Q399-Q403 WeakPolarHBondContact O-CB 3.21Å; Q399-Q403 PolarHBondContact O-N 2.92Å; T400-Q403 PolarHBondContact O-N 3.01Å; L401-Q403 VanDerWaalsContact C-N 3.32Å; L401-Q403 PolarHBondContact O-N 2.69Å; Q403-W406 PolarHBondContact O-N 2.91Å; Q403-G407 PolarHBondContact O-N 3.04Å |
| 404 | H | 70 | Confident | 60.7 | Low | 126 Ų | 126 | 117 Ų | 117 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -42.8 | 171.5 | -169.7 | -26.7 | 0 | 0 | 0 | 112 | T400 L401 W406 G407 C408 | T400-H404 WeakPolarHBondContact O-CB 3.43Å; T400-H404 PolarHBondContact O-N 2.96Å; L401-H404 PolarHBondContact O-N 2.97Å; H404-W406 VanDerWaalsContact C-N 3.33Å; H404-W406 PolarHBondContact O-N 2.9Å; H404-G407 PolarHBondContact O-N 3.13Å; H404-C408 VanDerWaalsContact CE1-SG 3.56Å; H404-C408 PolarHBondContact ND1-SG 3.43Å; H404-C408 VanDerWaalsContact ND1-SG 3.38Å; H404-C408 PolarHBondContact O-N 3.12Å; H404-C408 PolarHBondContact O-SG 3.36Å; H404-C408 VanDerWaalsContact O-SG 3.34Å |
| 405 | L | 69.1 | Low | 59.7 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 60% | 0.597 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | 174.6 | -96.5 | 76.7 | 0 | 0 | 0 | 111.9 | L401 K402 C408 A409 | L401-L405 HydrophobicContact CD1-CD1 4.15Å; L401-L405 HydrophobicContact CG-CD1 4.1Å; L401-L405 VanDerWaalsContact O-CD1 3.26Å; L401-L405 WeakPolarHBondContact O-CD1 3.34Å; L401-L405 PolarHBondContact O-N 2.85Å; K402-L405 PolarHBondContact O-N 3.03Å; L405-C408 PolarHBondContact O-N 3Å; L405-A409 WeakPolarHBondContact O-CB 3.3Å; L405-A409 PolarHBondContact O-N 3.36Å |
| 406 | W | 68.9 | Low | 58.5 | Low | 189 Ų | 189 | 119.8 Ų | 119.8 | 72% | 0.716 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -39.9 | 173.3 | -92.6 | 58.8 | 0 | 0 | 0 | 112.4 | K402 Q403 H404 C408 A409 | K402-W406 WeakPolarHBondContact O-CB 3.49Å; K402-W406 PolarHBondContact O-N 3.23Å; Q403-W406 PolarHBondContact O-N 2.91Å; H404-W406 VanDerWaalsContact C-N 3.33Å; H404-W406 PolarHBondContact O-N 2.9Å; W406-C408 VanDerWaalsContact C-N 3.27Å; W406-C408 PolarHBondContact O-N 3.24Å; W406-A409 PolarHBondContact O-N 2.62Å |
| 407 | G | 58.2 | Low | 57.1 | Low | 57 Ų | 57 | 126.9 Ų | 126.9 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.4 | -31.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q403 H404 A409 | Q403-G407 PolarHBondContact O-N 3.04Å; H404-G407 PolarHBondContact O-N 3.13Å; G407-A409 VanDerWaalsContact C-N 3.33Å |
| 408 | C | 56.1 | Low | 55.9 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -1.1 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | H404 L405 W406 | H404-C408 VanDerWaalsContact CE1-SG 3.56Å; H404-C408 PolarHBondContact ND1-SG 3.43Å; H404-C408 VanDerWaalsContact ND1-SG 3.38Å; H404-C408 PolarHBondContact O-N 3.12Å; H404-C408 PolarHBondContact O-SG 3.36Å; H404-C408 VanDerWaalsContact O-SG 3.34Å; L405-C408 PolarHBondContact O-N 3Å; W406-C408 VanDerWaalsContact C-N 3.27Å; W406-C408 PolarHBondContact O-N 3.24Å |
| 409 | A | 49.4 | Very low | 54.2 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -11 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L405 W406 G407 | L405-A409 WeakPolarHBondContact O-CB 3.3Å; L405-A409 PolarHBondContact O-N 3.36Å; W406-A409 PolarHBondContact O-N 2.62Å; G407-A409 VanDerWaalsContact C-N 3.33Å |
| 410 | L | 43.3 | Very low | 52.8 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -114 | 127.7 | 169.5 | -99.2 | 71.3 | 0 | 0 | 0 | 109.6 | ||
| 411 | P | 43.6 | Very low | 51.2 | Low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -64.7 | 136.4 | 161.5 | -17 | 31.1 | 0 | 0 | 0 | 110.1 | ||||
| 412 | D | 43 | Very low | 49.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | trans | -64.1 | 127.8 | 173.4 | -115.4 | -52.1 | 0 | 0 | 0 | 109.9 | R414 | D412-R414 PolarHBondContact O-N 3.04Š| ||
| 413 | P | 44.6 | Very low | 48.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 31.8 | -170.1 | 33.3 | -38 | 0 | 0 | 0 | 113.6 | ||
| 414 | R | 46.1 | Very low | 46 | Very low | 208 Ų | 208 | 135.7 Ų | 135.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -28.1 | -174.2 | -64.2 | -170.1 | -177.7 | -121.9 | 0.1 | 114.5 | D412 | D412-R414 PolarHBondContact O-N 3.04Š|
| 415 | D | 41.2 | Very low | 44.3 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -94.6 | 11.1 | -173.1 | -58.5 | -30.6 | 0 | 0 | 0 | 113.9 | K417 | D415-K417 PolarHBondContact O-N 2.78Š|
| 416 | S | 42.2 | Very low | 42.6 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -84.2 | 25 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 417 | K | 38 | Very low | 40.8 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -138.4 | 73 | 177.6 | -70.8 | -173.6 | 179.1 | -179.4 | 0 | 111.3 | D415 | D415-K417 PolarHBondContact O-N 2.78Š|
| 418 | D | 42.5 | Very low | 40 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | S | Bend | 167.5 | 81.7 | 129.2 | -83.6 | -13.8 | 0 | 0 | 0 | 110.7 | |||
| 419 | E | 33.9 | Very low | 39.1 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | -149.6 | 144.3 | 145.9 | -134.5 | 179.3 | -149.7 | 0 | 0 | 111.3 | ||||
| 420 | V | 36.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -132.8 | 115.1 | -159.1 | 174 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 421 | L | 36.4 | Very low | 37.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 53.8 | 120 | 157.7 | -58.9 | 170 | 0 | 0 | 0 | 116.4 | ||||
| 422 | R | 32.5 | Very low | 37.5 | Very low | 236 Ų | 236 | 142.8 Ų | 142.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | -169 | 173.7 | 57.8 | -119.8 | -157.1 | 163.5 | 137.7 | -3.6 | 111 | |||||
| 423 | P | 42.9 | Very low | 36.9 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -89.2 | 155.4 | -164.8 | 36 | -37 | 0 | 0 | 0 | 114.9 | ||||
| 424 | S | 27.9 | Very low | 36.3 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -118.1 | 136.9 | 160.2 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 425 | N | 33.1 | Very low | 35.4 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -92.8 | 128.7 | 176.5 | -60.5 | -73.9 | 0 | 0 | 0 | 110 | ||||
| 426 | H | 34.5 | Very low | 35 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -131.1 | 88 | 157 | -80.3 | -62.9 | 0 | 0 | 0 | 111.5 | ||||
| 427 | H | 29.9 | Very low | 34.7 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -72.4 | 141.7 | 161.2 | -178 | 74.9 | 0 | 0 | 0 | 109.7 | ||||
| 428 | S | 41.5 | Very low | 35.1 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -85.8 | 126.8 | -174.1 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 429 | Q | 38.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -141.3 | 153.3 | 158.9 | -66.2 | -173.3 | -4 | 0 | 0 | 108.3 | ||||
| 430 | G | 30.4 | Very low | 34.7 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | 145.2 | 148.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 431 | A | 36.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 65.5 | 162 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 432 | A | 34.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | cis | -170.1 | 160.7 | -33.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 433 | G | 31.4 | Very low | 33.8 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 86.9 | 147.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 434 | G | 31.3 | Very low | 33.3 | Very low | 87 Ų | 87 | 128 Ų | 128 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | cis | 176.1 | 150.6 | -7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 435 | G | 26.9 | Very low | 34.7 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 178.9 | 117.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 436 | T | 32.5 | Very low | 34.6 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -92.6 | 149.5 | -169.8 | 40.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | Q | 37.1 | Very low | 34.6 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -100.1 | 156.5 | 155.1 | -78.9 | -164 | -8 | 0 | 0 | 110.7 | ||||
| 438 | P | 46.1 | Very low | 34.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -104.3 | 151.3 | 154.2 | 36.3 | -28.1 | 0 | 0 | 0 | 112.4 | ||||
| 439 | L | 34.4 | Very low | 34.3 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -134.8 | 133.8 | 175.2 | 169.3 | 70.4 | 0 | 0 | 0 | 109.4 | ||||
| 440 | L | 34.6 | Very low | 34 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -147.1 | 125.6 | 159.3 | -67.5 | 177.7 | 0 | 0 | 0 | 105.5 | ||||
| 441 | E | 30.4 | Very low | 34 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | 74.8 | 127.1 | 61.8 | -170 | 175 | -135.8 | 0 | 0 | 112.4 | |||||
| 442 | G | 28.6 | Very low | 33.9 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | cis | -175.1 | 179.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 443 | G | 25.8 | Very low | 33.8 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | 163.3 | 117.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 444 | E | 32.4 | Very low | 33.8 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -118 | -174.4 | 176.4 | -116.1 | -148 | 135.9 | 0 | 0 | 110 | ||||
| 445 | P | 57.7 | Low | 34 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 58% | 0.578 | 82% | 0.815 | S | S | * | * | cis | -135.6 | -178.9 | -41.3 | 35.7 | -19.4 | 0 | 0 | 0 | 113.6 | ||||
| 446 | R | 31.2 | Very low | 34.4 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | 176.1 | 129.4 | 131.2 | -99.9 | 166 | -172.2 | -147.2 | 2.9 | 114.9 | ||||
| 447 | R | 35.6 | Very low | 34.6 | Very low | 228 Ų | 228 | 145 Ų | 145 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 48.2 | 145.5 | 132.4 | -65.8 | -175.2 | -177 | -157 | -0.1 | 120.5 | ||||
| 448 | S | 31.5 | Very low | 34.7 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | cis | -174 | 162.7 | -5 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 449 | S | 32.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 60.5 | 140.5 | 156.7 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 450 | G | 32.7 | Very low | 34.6 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -173.1 | 159 | -2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 451 | G | 29.8 | Very low | 34.9 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 132.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 452 | V | 33.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 128.7 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | F454 | V452-F454 HydrophobicContact CG1-CD2 4.28Å; V452-F454 HydrophobicContact CG1-CE2 4.02Å |
| 453 | R | 32.9 | Very low | 35.5 | Very low | 243 Ų | 243 | 150.3 Ų | 150.3 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 130.2 | 166.6 | -67.6 | 180 | 175.9 | -178.2 | -2.1 | 108.4 | ||
| 454 | F | 32.1 | Very low | 36 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89 | 135.1 | 163.1 | -80.2 | -89.3 | 0 | 0 | 0 | 109.3 | V452 | V452-F454 HydrophobicContact CG1-CD2 4.28Å; V452-F454 HydrophobicContact CG1-CE2 4.02Å |
| 455 | A | 35.5 | Very low | 36.2 | Very low | 95 Ų | 95 | 152 Ų | 152 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 150.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 456 | L | 34.8 | Very low | 35 | Very low | 172 Ų | 172 | 155.7 Ų | 155.7 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126.7 | 163 | -73.7 | 165 | 0 | 0 | 0 | 107.9 | ||
| 457 | D | 37.1 | Very low | 35.2 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 151.5 | 168 | -154 | -12.1 | 0 | 0 | 0 | 109.7 | ||
| 458 | V | 38.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 63% | 0.63 | 84% | 0.835 | S | S | * | * | trans | -143 | 116.7 | -173.6 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 459 | N | 37.9 | Very low | 35.5 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | 171.4 | 167.6 | 136.8 | -94.8 | -57.3 | 0 | 0 | 0 | 112.2 | ||||
| 460 | Q | 40.6 | Very low | 35.7 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | trans | 70.1 | 104.7 | 171 | -64.7 | 172.3 | 25 | 0 | 0 | 115.3 | ||||
| 461 | T | 40.9 | Very low | 35.9 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 79% | 0.791 | 85% | 0.853 | S | S | * | * | 86.2 | 98.3 | 53.8 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 462 | E | 36.8 | Very low | 36.5 | Very low | 276 Ų | 276 | 165.8 Ų | 165.8 | 100% | 1.29 | 86% | 0.855 | S | S | * | * | -137.2 | 0 | 123.1 | -90.2 | -169.9 | 138.8 | 0 | 0 | 108.1 |
Retrieved 462 of 462 residues in 186 ms
(Link to these results)