| 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 | 33.6 | Very low | 29.3 | Very low | 226 Ų | 226 | 126.4 Ų | 126.4 | 100% | 1.113 | 71% | 0.707 | S | S | * | * | 0 | 79.1 | 0 | -60.6 | -169.1 | -159.6 | 0 | 0 | 108.5 | |||||
| 2 | D | 27.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | 79.1 | 90.8 | 112.4 | -40.6 | -15.4 | 0 | 0 | 0 | 119.9 | |||||
| 3 | E | 28.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | 78.9 | 107.6 | 109.3 | -71.3 | -159.7 | 146.9 | 0 | 0 | 123.6 | K14 | E3-K14 VanDerWaalsContact O-O 3.11Š| |||
| 4 | T | 31.1 | Very low | 29.3 | Very low | 56 Ų | 56 | 128.5 Ų | 128.5 | 34% | 0.344 | 70% | 0.697 | S | S | . | * | 80.9 | 126 | 118.1 | 64.9 | 0 | 0 | 0 | 0 | 125.3 | K14 | T4-K14 PolarHBondContact OG1-O 3.15Š| |||
| 5 | Q | 33.3 | Very low | 29.5 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | 42.1 | 119 | 121.1 | -48.2 | 168.9 | 14.9 | 0 | 0 | 120.9 | |||||
| 6 | V | 27.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | -146.8 | 136.1 | 120.6 | -171.3 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 7 | G | 26.9 | Very low | 29.7 | Very low | 60 Ų | 60 | 128.3 Ų | 128.3 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | cis | -154 | -164.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | T | 30 | Very low | 29.7 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -156.6 | 145.9 | 10 | 48.6 | 0 | 0 | 0 | 0 | 107.5 | ||
| 9 | F | 27.5 | Very low | 29.8 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -166.2 | 167 | -8 | -103.4 | -55.2 | 0 | 0 | 0 | 105.4 | ||
| 10 | P | 29.9 | Very low | 29.6 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -117.6 | 178.4 | -16.6 | 41.1 | -26 | 0 | 0 | 0 | 111 | ||
| 11 | S | 26.5 | Very low | 29.5 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | cis | -155.9 | 128.4 | 22.7 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | K | 28.4 | Very low | 29.3 | Very low | 189 Ų | 189 | 122.9 Ų | 122.9 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | 65.8 | 133.3 | 150.6 | -54.7 | 165.7 | -175.6 | 177.8 | 0 | 117.4 | ||||
| 13 | S | 28.3 | Very low | 29.5 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | cis | -175.7 | 140.5 | -5.7 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 14 | K | 31.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | trans | 90.9 | 159.9 | 162.4 | -59.7 | -162 | 174 | -179.6 | 0 | 118.2 | E3 T4 | E3-K14 VanDerWaalsContact O-O 3.11Å; T4-K14 PolarHBondContact OG1-O 3.15Å | ||
| 15 | Q | 32.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 55% | 0.551 | 68% | 0.681 | S | S | * | * | cis | -178.6 | 135.6 | -46.7 | -113.6 | 175.9 | -71.3 | 0 | 0 | 113.5 | ||||
| 16 | H | 32.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 69% | 0.69 | 67% | 0.669 | S | S | * | * | trans | 63.9 | 148.1 | 158.7 | -60.7 | -60.6 | 0 | 0 | 0 | 119.7 | ||||
| 17 | N | 30.1 | Very low | 30.2 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | cis | -159.8 | 161.9 | -6.9 | -125.8 | 33.9 | 0 | 0 | 0 | 114.2 | ||||
| 18 | D | 30.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | trans | 75.6 | 135.8 | 147.7 | -57.3 | -31.4 | 0 | 0 | 0 | 126.6 | ||||
| 19 | N | 30.4 | Very low | 30.8 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | 78.5 | 87.7 | 150.2 | -65 | -27.4 | 0 | 0 | 0 | 123.8 | ||||
| 20 | L | 26.5 | Very low | 31.2 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | 35.2 | 138.8 | 120.9 | -74.1 | 158.5 | 0 | 0 | 0 | 122.3 | |||||
| 21 | T | 27.5 | Very low | 31.4 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | 77.4 | 121.1 | 173.2 | 75.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 22 | S | 28.9 | Very low | 31.8 | Very low | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | 156 | -16.4 | 155.2 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | V24 L25 T26 | S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 2.99Å; S22-L25 WeakPolarHBondContact O-CB 3.34Å; S22-L25 PolarHBondContact O-N 3.23Å; S22-T26 PolarHBondContact O-N 3.03Å | ||
| 23 | T | 31.5 | Very low | 32 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -12.7 | -162.8 | 45.5 | 0 | 0 | 0 | 0 | 117.6 | T26 | T23-T26 PolarHBondContact O-OG1 3.07Å |
| 24 | V | 35.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.7 | -21.2 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | S22 | S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 2.99Å |
| 25 | L | 33.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -83.4 | -30.8 | 177.1 | -81.4 | 160.1 | 0 | 0 | 0 | 112.5 | S22 H27 R28 I29 | S22-L25 WeakPolarHBondContact O-CB 3.34Å; S22-L25 PolarHBondContact O-N 3.23Å; L25-H27 PolarHBondContact O-N 3.11Å; L25-R28 PolarHBondContact O-N 2.77Å; L25-I29 HydrophobicContact CB-CD1 3.96Å; L25-I29 HydrophobicContact CD2-CD1 4.46Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.11Å |
| 26 | T | 32.6 | Very low | 32.6 | Very low | 70 Ų | 70 | 112 Ų | 112 | 43% | 0.429 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.3 | -43.4 | -174.6 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | S22 T23 I29 Q30 | S22-T26 PolarHBondContact O-N 3.03Å; T23-T26 PolarHBondContact O-OG1 3.07Å; T26-I29 PolarHBondContact O-N 3.41Å; T26-Q30 VanDerWaalsContact O-CB 3.29Å; T26-Q30 WeakPolarHBondContact O-CB 3.29Å; T26-Q30 PolarHBondContact O-N 2.86Å |
| 27 | H | 34.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 111.3 Ų | 111.3 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.2 | -35.7 | 176.7 | -92 | -87.3 | 0 | 0 | 0 | 113.5 | L25 A31 | L25-H27 PolarHBondContact O-N 3.11Å; H27-A31 WeakPolarHBondContact O-CB 3.4Å; H27-A31 PolarHBondContact O-N 3.3Å; H27-A31 VanDerWaalsContact O-N 3.09Å |
| 28 | R | 35.2 | Very low | 32.7 | Very low | 189 Ų | 189 | 110.7 Ų | 110.7 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | 173.6 | -85.4 | -178.6 | 166.6 | 171.7 | -3.4 | 112.2 | L25 N32 | L25-R28 PolarHBondContact O-N 2.77Å; R28-N32 WeakPolarHBondContact O-CB 3.47Å; R28-N32 VanDerWaalsContact O-CG 3.32Å; R28-N32 PolarHBondContact O-N 3.38Å |
| 29 | I | 34.6 | Very low | 32.9 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.7 | -40.9 | 176.3 | -71.3 | 172.2 | 0 | 0 | 0 | 110.5 | L25 T26 N32 L33 | L25-I29 HydrophobicContact CB-CD1 3.96Å; L25-I29 HydrophobicContact CD2-CD1 4.46Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.11Å; T26-I29 PolarHBondContact O-N 3.41Å; I29-N32 CarbonylContact O-C 3.6Å; I29-N32 PolarHBondContact O-N 3.13Å; I29-L33 HydrophobicContact CG2-CD1 4.04Å; I29-L33 VanDerWaalsContact O-CB 3.28Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.38Å |
| 30 | Q | 33.9 | Very low | 33 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.8 | -39.5 | 177 | -160 | 76.6 | -14.8 | 0 | 0 | 112 | T26 L33 N34 | T26-Q30 VanDerWaalsContact O-CB 3.29Å; T26-Q30 WeakPolarHBondContact O-CB 3.29Å; T26-Q30 PolarHBondContact O-N 2.86Å; Q30-L33 PolarHBondContact O-N 3.06Å; Q30-N34 PolarHBondContact O-N 3.35Å |
| 31 | A | 34.5 | Very low | 33.1 | Very low | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.7 | -48.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | H27 L33 N34 V35 | H27-A31 WeakPolarHBondContact O-CB 3.4Å; H27-A31 PolarHBondContact O-N 3.3Å; H27-A31 VanDerWaalsContact O-N 3.09Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.33Å; A31-N34 PolarHBondContact O-N 3.11Å; A31-V35 WeakPolarHBondContact O-CG2 3.2Å; A31-V35 PolarHBondContact O-N 3.42Å |
| 32 | N | 35.6 | Very low | 33.3 | Very low | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.3 | -32 | 175.9 | -73.7 | -10.1 | 0 | 0 | 0 | 112.7 | R28 I29 V35 L36 | R28-N32 WeakPolarHBondContact O-CB 3.47Å; R28-N32 VanDerWaalsContact O-CG 3.32Å; R28-N32 PolarHBondContact O-N 3.38Å; I29-N32 CarbonylContact O-C 3.6Å; I29-N32 PolarHBondContact O-N 3.13Å; N32-V35 PolarHBondContact O-N 2.8Å; N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.45Å; N32-L36 VanDerWaalsContact O-CG 3.26Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 2.98Å |
| 33 | L | 32 | Very low | 33.5 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.4 | -31.5 | 174.7 | -105.9 | 160.8 | 0 | 0 | 0 | 112.5 | I29 Q30 A31 K37 | I29-L33 HydrophobicContact CG2-CD1 4.04Å; I29-L33 VanDerWaalsContact O-CB 3.28Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.38Å; Q30-L33 PolarHBondContact O-N 3.06Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.33Å; L33-K37 VanDerWaalsContact O-CB 3.25Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 VanDerWaalsContact O-CG 3.22Å; L33-K37 WeakPolarHBondContact O-CG 3.5Å; L33-K37 PolarHBondContact O-N 2.82Å |
| 34 | N | 35.4 | Very low | 33.5 | Very low | 90 Ų | 90 | 107.2 Ų | 107.2 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.8 | -39.8 | 171.8 | -74.6 | -10.8 | 0 | 0 | 0 | 111.2 | Q30 A31 L36 K37 C38 | Q30-N34 PolarHBondContact O-N 3.35Å; A31-N34 PolarHBondContact O-N 3.11Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.18Å; N34-K37 PolarHBondContact O-N 3.25Å; N34-C38 WeakPolarHBondContact O-CB 3.47Å; N34-C38 PolarHBondContact O-N 3.13Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.38Å |
| 35 | V | 37.3 | Very low | 33.3 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 53% | 0.527 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -37.9 | 171 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | A31 N32 K39 | A31-V35 WeakPolarHBondContact O-CG2 3.2Å; A31-V35 PolarHBondContact O-N 3.42Å; N32-V35 PolarHBondContact O-N 2.8Å; V35-K39 PolarHBondContact O-N 2.72Å |
| 36 | L | 32.9 | Very low | 33.1 | Very low | 90 Ų | 90 | 106.6 Ų | 106.6 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.8 | -39.4 | 174.4 | -77.7 | 164.3 | 0 | 0 | 0 | 112.5 | N32 N34 C38 K39 L40 | N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.45Å; N32-L36 VanDerWaalsContact O-CG 3.26Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 2.98Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.18Å; L36-C38 VanDerWaalsContact C-N 3.31Å; L36-C38 PolarHBondContact O-N 3.37Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 PolarHBondContact O-N 2.72Å; L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 PolarHBondContact O-N 2.92Å |
| 37 | K | 30.5 | Very low | 33 | Very low | 136 Ų | 136 | 111.6 Ų | 111.6 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -34.9 | 173.2 | -80.5 | 173.9 | 176.9 | 179.2 | 0 | 112.1 | L33 N34 K39 G41 | L33-K37 VanDerWaalsContact O-CB 3.25Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 VanDerWaalsContact O-CG 3.22Å; L33-K37 WeakPolarHBondContact O-CG 3.5Å; L33-K37 PolarHBondContact O-N 2.82Å; N34-K37 PolarHBondContact O-N 3.25Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å; K37-G41 WeakPolarHBondContact O-CA 3.39Å; K37-G41 PolarHBondContact O-N 3.4Å |
| 38 | C | 33.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 68% | 0.682 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71 | -16.9 | 171.5 | -70.4 | 0 | 0 | 0 | 0 | 113.9 | N34 L36 | N34-C38 WeakPolarHBondContact O-CB 3.47Å; N34-C38 PolarHBondContact O-N 3.13Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.38Å; L36-C38 VanDerWaalsContact C-N 3.31Å; L36-C38 PolarHBondContact O-N 3.37Å |
| 39 | K | 33.7 | Very low | 32.3 | Very low | 157 Ų | 157 | 110.6 Ų | 110.6 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -92.4 | -39.7 | 170.7 | -74.9 | -170.2 | 171.3 | -172.9 | 0 | 113.3 | V35 L36 K37 | V35-K39 PolarHBondContact O-N 2.72Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 PolarHBondContact O-N 2.72Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å |
| 40 | L | 32.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.1 | -15.3 | 179.3 | -75.6 | 155.4 | 0 | 0 | 0 | 113.7 | L36 | L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 PolarHBondContact O-N 2.92Å |
| 41 | G | 29.9 | Very low | 31.6 | Very low | 38 Ų | 38 | 117 Ų | 117 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76 | -19.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K37 | K37-G41 WeakPolarHBondContact O-CA 3.39Å; K37-G41 PolarHBondContact O-N 3.4Å |
| 42 | L | 31.1 | Very low | 31.3 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -89 | -31.5 | 178.3 | -96.3 | 80.1 | 0 | 0 | 0 | 113.5 | L44 V45 N46 | L42-L44 PolarHBondContact O-N 2.89Å; L42-V45 PolarHBondContact O-N 3.27Å; L42-N46 PolarHBondContact O-N 3.39Å |
| 43 | D | 32.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.5 | -25 | -179.9 | -73.5 | -26.6 | 0 | 0 | 0 | 113.2 | ||
| 44 | L | 31.4 | Very low | 30.6 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -23.3 | 176.7 | -79.1 | 163.3 | 0 | 0 | 0 | 113.8 | L42 | L42-L44 PolarHBondContact O-N 2.89Š|
| 45 | V | 31.2 | Very low | 30.2 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -30.5 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | L42 | L42-V45 PolarHBondContact O-N 3.27Š|
| 46 | N | 30.4 | Very low | 29.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -9.2 | -179.4 | -75.3 | -11.9 | 0 | 0 | 0 | 114.4 | L42 | L42-N46 PolarHBondContact O-N 3.39Š|
| 47 | K | 31.3 | Very low | 29.8 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -6.2 | 175.8 | -82.5 | -179.6 | 175.2 | 173.2 | 0 | 115.3 | ||
| 48 | S | 29.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 31.1 | 179.6 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 49 | R | 24.5 | Very low | 29.4 | Very low | 241 Ų | 241 | 136.9 Ų | 136.9 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 26.8 | 167.7 | -88.1 | -168.5 | 173.3 | 156.5 | 5 | 113.5 | ||
| 50 | L | 25.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 138 Ų | 138 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -107.9 | 135.4 | 167.2 | -77.9 | 161.2 | 0 | 0 | 0 | 109.2 | ||
| 51 | Y | 27.7 | Very low | 28.6 | Very low | 212 Ų | 212 | 138 Ų | 138 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | trans | 76.3 | 150.9 | 170.7 | -64.3 | -75.9 | 0 | 0 | 0 | 121 | ||||
| 52 | Q | 28.5 | Very low | 28.3 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | 76.5 | 100.5 | -176.9 | -57.7 | -177.1 | -5.6 | 0 | 0 | 114.3 | ||||
| 53 | D | 26.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | cis | 70.2 | 111.8 | 16.8 | -149.2 | 47 | 0 | 0 | 0 | 115.9 | ||||
| 54 | K | 27.1 | Very low | 27.9 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 73% | 0.73 | 72% | 0.722 | S | S | * | * | trans | 87.2 | 104.8 | 162.4 | -66.4 | 164.8 | -173.8 | 153.4 | 0 | 121.9 | ||||
| 55 | K | 27.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | 108 | 133.4 | 110.4 | -85.2 | -174.1 | 137.8 | -68.9 | 0 | 121 | |||||
| 56 | D | 30.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 148 Ų | 148 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | 59.6 | 134.2 | 147.3 | -43.5 | -17.3 | 0 | 0 | 0 | 117.9 | ||||
| 57 | D | 30.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -154.7 | 168.4 | 28.3 | -116.6 | -22.2 | 0 | 0 | 0 | 116 | ||||
| 58 | F | 26.8 | Very low | 27.5 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 77% | 0.772 | 73% | 0.725 | S | S | * | * | trans | 3 | 124.2 | 170.2 | -63 | -90.8 | 0 | 0 | 0 | 122.7 | ||||
| 59 | A | 28.7 | Very low | 27.5 | Very low | 88 Ų | 88 | 149 Ų | 149 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 170.7 | 128.2 | 92.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 60 | F | 24.2 | Very low | 27.6 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | 19.2 | 108.4 | 142.4 | -73 | -110.8 | 0 | 0 | 0 | 119.4 | ||||
| 61 | N | 25 | Very low | 27.9 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | 160.4 | 131.9 | 73.5 | -105.8 | 17.8 | 0 | 0 | 0 | 116.4 | |||||
| 62 | E | 25.5 | Very low | 27.9 | Very low | 157 Ų | 157 | 137 Ų | 137 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | 64.7 | 122 | 132.6 | -61.8 | 179.9 | 127.6 | 0 | 0 | 124.3 | ||||
| 63 | S | 26.7 | Very low | 27.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | 82.1 | 144.6 | 145.8 | 84.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 64 | K | 27.2 | Very low | 27.9 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | cis | -151.7 | 162.3 | -13.6 | -115 | 162.3 | -170.3 | 168.3 | 0 | 109.3 | ||||
| 65 | P | 28.7 | Very low | 28.1 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | trans | -99.4 | 113.1 | -155.2 | 35.2 | -33.3 | 0 | 0 | 0 | 115.4 | ||||
| 66 | F | 27.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 61% | 0.614 | 64% | 0.644 | S | S | * | * | trans | -154.9 | 37.1 | -173 | -113.3 | -72 | 0 | 0 | 0 | 118.4 | F70 | F66-F70 HydrophobicContact CD1-CB 4.35Å; F66-F70 AromaticContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CE2 4.49Å; F66-F70 HydrophobicContact CD1-CG 4.39Å; F66-F70 HydrophobicContact CE1-CD2 4.08Å; F66-F70 WeakPolarHBondContact O-CB 3.33Å | ||
| 67 | V | 30.3 | Very low | 28 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -121.3 | -60.7 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 115.5 | F70 I71 | V67-F70 CarbonylContact O-C 3.56Å; V67-F70 WeakPolarHBondContact O-CA 3.38Å; V67-F70 WeakPolarHBondContact O-CB 3.47Å; V67-F70 PolarHBondContact O-N 3.1Å; V67-I71 PolarHBondContact O-N 2.89Å |
| 68 | L | 29.1 | Very low | 27.8 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.6 | -37.8 | -179.6 | -99 | 163.6 | 0 | 0 | 0 | 112.4 | F70 I71 E72 | L68-F70 PolarHBondContact O-N 3.28Å; L68-I71 PolarHBondContact O-N 3.4Å; L68-E72 PolarHBondContact O-N 3.35Å |
| 69 | K | 29.9 | Very low | 27.8 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.3 | -30 | 164.8 | -126.5 | 176 | -172 | 175.7 | 0 | 111.8 | Q73 | K69-Q73 WeakPolarHBondContact O-CA 3.23Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å; K69-Q73 PolarHBondContact O-OE1 3.23Å; K69-Q73 VanDerWaalsContact O-OE1 3.12Å |
| 70 | F | 27.6 | Very low | 27.5 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 42% | 0.417 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -84.1 | -17.3 | -176.8 | -164.8 | -109.5 | 0 | 0 | 0 | 115 | F66 V67 L68 K74 | F66-F70 HydrophobicContact CD1-CB 4.35Å; F66-F70 AromaticContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CE2 4.49Å; F66-F70 HydrophobicContact CD1-CG 4.39Å; F66-F70 HydrophobicContact CE1-CD2 4.08Å; F66-F70 WeakPolarHBondContact O-CB 3.33Å; V67-F70 CarbonylContact O-C 3.56Å; V67-F70 WeakPolarHBondContact O-CA 3.38Å; V67-F70 WeakPolarHBondContact O-CB 3.47Å; V67-F70 PolarHBondContact O-N 3.1Å; L68-F70 PolarHBondContact O-N 3.28Å; F70-K74 HydrophobicContact CD1-CD 4.44Å; F70-K74 HydrophobicContact CE1-CD 4.28Å; F70-K74 HydrophobicContact CE1-CG 4.49Å; F70-K74 WeakPolarHBondContact O-CB 3.36Å; F70-K74 VanDerWaalsContact O-CG 3.29Å; F70-K74 WeakPolarHBondContact O-CG 3.37Å; F70-K74 PolarHBondContact O-N 3.39Å |
| 71 | I | 31.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -84.9 | -42 | 169.5 | -66.1 | 178.2 | 0 | 0 | 0 | 110.2 | V67 L68 Q73 K74 N75 | V67-I71 PolarHBondContact O-N 2.89Å; L68-I71 PolarHBondContact O-N 3.4Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; I71-K74 PolarHBondContact O-N 3.48Å; I71-N75 PolarHBondContact O-N 2.65Å |
| 72 | E | 27 | Very low | 27.8 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.1 | -25.9 | 171.6 | -63 | -161.1 | 132.8 | 0 | 0 | 112.9 | L68 K76 | L68-E72 PolarHBondContact O-N 3.35Å; E72-K76 WeakPolarHBondContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 3.44Å |
| 73 | Q | 28.5 | Very low | 28 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 35% | 0.35 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -79.2 | -32.2 | 165.6 | -73.9 | 170.2 | -48.9 | 0 | 0 | 112.1 | K69 I71 N75 K76 L77 | K69-Q73 WeakPolarHBondContact O-CA 3.23Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å; K69-Q73 PolarHBondContact O-OE1 3.23Å; K69-Q73 VanDerWaalsContact O-OE1 3.12Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 2.88Å; Q73-K76 CarbonylContact O-C 3.54Å; Q73-K76 PolarHBondContact O-N 3.45Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; Q73-L77 HydrophobicContact CB-CD1 3.88Å; Q73-L77 WeakPolarHBondContact O-CB 3.29Å; Q73-L77 WeakPolarHBondContact O-CD1 3.34Å; Q73-L77 PolarHBondContact O-N 2.9Å |
| 74 | K | 27.9 | Very low | 27.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 49% | 0.491 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.2 | -45.3 | 170.4 | -95.6 | -177.4 | 171.3 | -175.8 | 0 | 111.1 | F70 I71 K76 F78 | F70-K74 HydrophobicContact CD1-CD 4.44Å; F70-K74 HydrophobicContact CE1-CD 4.28Å; F70-K74 HydrophobicContact CE1-CG 4.49Å; F70-K74 WeakPolarHBondContact O-CB 3.36Å; F70-K74 VanDerWaalsContact O-CG 3.29Å; F70-K74 WeakPolarHBondContact O-CG 3.37Å; F70-K74 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact O-N 3.48Å; K74-K76 PolarHBondContact O-N 2.67Å; K74-F78 WeakPolarHBondContact O-CB 3.41Å; K74-F78 PolarHBondContact O-N 3.09Å |
| 75 | N | 30 | Very low | 27.7 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.5 | -2.6 | 178.1 | -69.5 | -12.5 | 0 | 0 | 0 | 114.3 | I71 Q73 | I71-N75 PolarHBondContact O-N 2.65Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 2.88Å |
| 76 | K | 28.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -108.7 | -33.1 | 170.1 | -72.4 | 172.7 | -179.8 | 169.8 | 0 | 113.2 | E72 Q73 K74 R79 S80 | E72-K76 WeakPolarHBondContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 3.44Å; Q73-K76 CarbonylContact O-C 3.54Å; Q73-K76 PolarHBondContact O-N 3.45Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; K74-K76 PolarHBondContact O-N 2.67Å; K76-R79 CarbonylContact O-C 3.57Å; K76-R79 PolarHBondContact O-N 3.1Å; K76-R79 VanDerWaalsContact O-N 3.09Å; K76-S80 PolarHBondContact O-N 2.65Å; K76-S80 PolarHBondContact O-OG 2.97Å |
| 77 | L | 26.5 | Very low | 27.8 | Very low | 92 Ų | 92 | 132 Ų | 132 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69 | -34 | 170.3 | -90.8 | 87.1 | 0 | 0 | 0 | 111.9 | Q73 R79 | Q73-L77 HydrophobicContact CB-CD1 3.88Å; Q73-L77 WeakPolarHBondContact O-CB 3.29Å; Q73-L77 WeakPolarHBondContact O-CD1 3.34Å; Q73-L77 PolarHBondContact O-N 2.9Å; L77-R79 PolarHBondContact O-N 3.12Å |
| 78 | F | 27.6 | Very low | 27.5 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.803 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.1 | 1.4 | 168.6 | -100.4 | -78.3 | 0 | 0 | 0 | 114.2 | K74 | K74-F78 WeakPolarHBondContact O-CB 3.41Å; K74-F78 PolarHBondContact O-N 3.09Å |
| 79 | R | 26.3 | Very low | 27.3 | Very low | 230 Ų | 230 | 132.8 Ų | 132.8 | 87% | 0.868 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -134.6 | -19.4 | -179.6 | -75.1 | -172.4 | 168.5 | -179.8 | -3.7 | 116.2 | K76 L77 | K76-R79 CarbonylContact O-C 3.57Å; K76-R79 PolarHBondContact O-N 3.1Å; K76-R79 VanDerWaalsContact O-N 3.09Å; L77-R79 PolarHBondContact O-N 3.12Å |
| 80 | S | 22.3 | Very low | 27.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -150.8 | 36.8 | -178.2 | 74.2 | 0 | 0 | 0 | 0 | 116.7 | K76 | K76-S80 PolarHBondContact O-N 2.65Å; K76-S80 PolarHBondContact O-OG 2.97Å |
| 81 | Q | 26 | Very low | 27.1 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -125.5 | 104.1 | 145.4 | -87.8 | -176.4 | -49.6 | 0 | 0 | 108.1 | ||||
| 82 | V | 29.5 | Very low | 26.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | 79.6 | 92.6 | 81.1 | 166 | 0 | 0 | 0 | 0 | 108 | |||||
| 83 | N | 28.8 | Very low | 26.7 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | 52 | 138.2 | 71.7 | -71.4 | -31 | 0 | 0 | 0 | 113.3 | |||||
| 84 | L | 23.1 | Very low | 26.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | 82.1 | 57.8 | 166.9 | -42.9 | -171.7 | 0 | 0 | 0 | 118.2 | K86 | L84-K86 HydrophobicContact CB-CB 4.31Å; L84-K86 HydrophobicContact CB-CD 4.24Å; L84-K86 HydrophobicContact CB-CG 4.43Å; L84-K86 HydrophobicContact CD1-CD 4.39Å; L84-K86 HydrophobicContact CD2-CD 3.87Å; L84-K86 HydrophobicContact CD2-CG 4.08Å; L84-K86 HydrophobicContact CG-CD 4.39Å | ||
| 85 | E | 26.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 139 Ų | 139 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | -110.5 | 113.1 | 117.7 | -69.3 | 178.5 | 170.8 | 0 | 0 | 105.1 | |||||
| 86 | K | 32.2 | Very low | 26.2 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | cis | 60.7 | 147.8 | 9.4 | -91.3 | -160.7 | -179.6 | -179.9 | 0 | 115.8 | L84 | L84-K86 HydrophobicContact CB-CB 4.31Å; L84-K86 HydrophobicContact CB-CD 4.24Å; L84-K86 HydrophobicContact CB-CG 4.43Å; L84-K86 HydrophobicContact CD1-CD 4.39Å; L84-K86 HydrophobicContact CD2-CD 3.87Å; L84-K86 HydrophobicContact CD2-CG 4.08Å; L84-K86 HydrophobicContact CG-CD 4.39Å | ||
| 87 | I | 24.4 | Very low | 26.3 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 78.7 | 93.3 | -162.1 | -56.9 | 162.2 | 0 | 0 | 0 | 107.8 | ||||
| 88 | N | 23.8 | Very low | 26.6 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | 73.5 | 131.4 | 84.1 | -67.3 | 21.4 | 0 | 0 | 0 | 110.1 | |||||
| 89 | D | 26.1 | Very low | 26.8 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -133.8 | 149.1 | 9.5 | -77.6 | -57.5 | 0 | 0 | 0 | 109.2 | ||||
| 90 | A | 25.1 | Very low | 26.9 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | 55.9 | 69.7 | 61.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 91 | H | 27.2 | Very low | 27 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -162.6 | 138.2 | 131.2 | -98.4 | -30.2 | 0 | 0 | 0 | 115.9 | ||||
| 92 | I | 26.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 64% | 0.641 | 73% | 0.726 | S | S | * | * | trans | 65.2 | 100.6 | 136.1 | -64.5 | 165.4 | 0 | 0 | 0 | 117.1 | ||||
| 93 | N | 24.8 | Very low | 26.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | 26.6 | 132.1 | 114.2 | -38.5 | -30.8 | 0 | 0 | 0 | 115.8 | |||||
| 94 | T | 25 | Very low | 26.7 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | -164.8 | 155.4 | 62.4 | 35.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 95 | M | 24.5 | Very low | 27 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | 57.4 | 141.4 | 143.7 | -67.7 | 167.2 | 179.8 | 0 | 0 | 120.1 | ||||
| 96 | S | 25.9 | Very low | 27.2 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -169.8 | 168.4 | -14.1 | 46.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 97 | Q | 31.3 | Very low | 26.9 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 76.2 | 139.7 | 166.1 | -67.1 | 155 | -20.9 | 0 | 0 | 116 | ||||
| 98 | D | 32.6 | Very low | 26.9 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 90% | 0.898 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 55.3 | 74.3 | 161.5 | -52.9 | -6.2 | 0 | 0 | 0 | 117.8 | ||
| 99 | G | 30.7 | Very low | 27.2 | Very low | 58 Ų | 58 | 131.6 Ų | 131.6 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | cis | 155.9 | 130.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 100 | N | 28.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | trans | 48.3 | 89 | 155.2 | -50.5 | -25.3 | 0 | 0 | 0 | 116.8 | ||||
| 101 | F | 23.9 | Very low | 27.3 | Very low | 191 Ų | 191 | 135 Ų | 135 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | cis | 67.1 | 84.2 | 29.6 | -105 | -85.9 | 0 | 0 | 0 | 116.8 | ||||
| 102 | S | 28.3 | Very low | 27.3 | Very low | 60 Ų | 60 | 134 Ų | 134 | 42% | 0.42 | 69% | 0.692 | S | S | . | * | 78.2 | 179.1 | 123.9 | 80.2 | 0 | 0 | 0 | 0 | 122.1 | R107 | S102-R107 VanDerWaalsContact O-CD 3.23Å; S102-R107 WeakPolarHBondContact O-CD 3.45Å; S102-R107 PolarHBondContact O-NH1 3.17Å | |||
| 103 | I | 24.4 | Very low | 27.2 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 36% | 0.364 | 69% | 0.694 | S | S | . | * | trans | 107 | 97.7 | 165.8 | -64 | 169.9 | 0 | 0 | 0 | 117.7 | R107 | I103-R107 WeakPolarHBondContact O-CD 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-NE 3.29Å | ||
| 104 | E | 25.7 | Very low | 27.5 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 41% | 0.407 | 69% | 0.694 | S | S | . | * | S | Bend | trans | 69 | 117.7 | 161.7 | -79.2 | 83.7 | -84.3 | 0 | 0 | 120.9 | R106 R107 | E104-R106 IonicContact OE1-CZ 3.69Å; E104-R106 IonicContact OE1-NE 2.71Å; E104-R106 PolarHBondContact OE1-NE 2.86Å; E104-R106 IonicContact OE1-NH2 2.76Å; E104-R106 PolarHBondContact OE1-NH2 3.3Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-R107 VanDerWaalsContact O-N 3.15Å |
| 105 | K | 30.2 | Very low | 27.8 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 91% | 0.913 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -116.6 | 61.4 | -9.1 | -66.9 | -174.1 | 179.8 | -178.4 | 0 | 112.2 | ||
| 106 | R | 29.4 | Very low | 28 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -121.6 | 111.8 | -0.7 | -71.5 | -160.7 | 138.4 | 150.8 | -5.8 | 112.2 | E104 | E104-R106 IonicContact OE1-CZ 3.69Å; E104-R106 IonicContact OE1-NE 2.71Å; E104-R106 PolarHBondContact OE1-NE 2.86Å; E104-R106 IonicContact OE1-NH2 2.76Å; E104-R106 PolarHBondContact OE1-NH2 3.3Å |
| 107 | R | 26.2 | Very low | 28.2 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 55% | 0.551 | 69% | 0.689 | S | S | * | * | trans | 15.9 | 110.2 | 175.5 | -97.6 | 166.9 | -154.6 | 157.6 | 18.8 | 116.6 | S102 I103 E104 | S102-R107 VanDerWaalsContact O-CD 3.23Å; S102-R107 WeakPolarHBondContact O-CD 3.45Å; S102-R107 PolarHBondContact O-NH1 3.17Å; I103-R107 WeakPolarHBondContact O-CD 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-NE 3.29Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-R107 VanDerWaalsContact O-N 3.15Å | ||
| 108 | S | 24.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 68% | 0.682 | S | S | * | * | 61 | 127 | 64.2 | 98 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 109 | L | 31.2 | Very low | 28 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | 42.8 | 121.2 | 96.8 | -68.9 | 161.9 | 0 | 0 | 0 | 112.6 | K111 | L109-K111 HydrophobicContact CD2-CG 4.28Š| |||
| 110 | P | 26.2 | Very low | 27.9 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | -122.8 | 149.8 | 57.8 | 24 | -5.3 | 0 | 0 | 0 | 114.3 | |||||
| 111 | K | 26.6 | Very low | 27.8 | Very low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 68% | 0.679 | S | S | * | * | 57.7 | 92.5 | 69.7 | -69.9 | -171.3 | 177.2 | -175.4 | 0 | 115.5 | L109 | L109-K111 HydrophobicContact CD2-CG 4.28Š| |||
| 112 | L | 25.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | -119.1 | 118.6 | 127.2 | -69 | 175.9 | 0 | 0 | 0 | 105.9 | |||||
| 113 | K | 26 | Very low | 28.1 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | 63.8 | 121.5 | 67.6 | -66.7 | -172.2 | -163 | -178.4 | 0 | 109.3 | |||||
| 114 | H | 31.6 | Very low | 28 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | cis | -151.3 | 168.1 | 18.3 | -91.6 | -66.8 | 0 | 0 | 0 | 108.4 | ||||
| 115 | T | 30 | Very low | 27.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 63% | 0.632 | 73% | 0.727 | S | S | * | * | cis | -154.2 | 153.2 | 8.2 | -1.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 116 | D | 29 | Very low | 27.7 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | 74.6 | 123.7 | 140 | -58.1 | -19.5 | 0 | 0 | 0 | 126.8 | ||||
| 117 | H | 30.4 | Very low | 27.4 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | 72.2 | 130.3 | 148.5 | -54.7 | -28.5 | 0 | 0 | 0 | 120.7 | ||||
| 118 | S | 30.1 | Very low | 27.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -164.4 | 130.9 | -9.5 | 33.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 119 | L | 29.2 | Very low | 27.2 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | trans | 58.3 | 157.9 | 137.1 | -56.8 | 170.6 | 0 | 0 | 0 | 120.7 | ||||
| 120 | A | 28.9 | Very low | 26.8 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | cis | -175.5 | 173.4 | -29.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 121 | I | 26.9 | Very low | 26.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | cis | -175.1 | 154.7 | -48.6 | -150.6 | 170.1 | 0 | 0 | 0 | 108.8 | ||||
| 122 | I | 26.3 | Very low | 26.9 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 71.1 | 148.4 | 157 | -83.6 | 169.2 | 0 | 0 | 0 | 118.7 | ||||
| 123 | P | 30.7 | Very low | 26.8 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | cis | -149.4 | -175 | -27.9 | 45.8 | -26.7 | 0 | 0 | 0 | 117.3 | ||||
| 124 | K | 24.3 | Very low | 26.7 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 51.1 | 115.5 | 139.4 | -77.8 | 173.2 | -179.4 | -178 | 0 | 123.7 | ||||
| 125 | T | 23 | Very low | 26.4 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | 35.9 | 108.5 | 126 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 126 | G | 25.1 | Very low | 26.3 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -172 | 115 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 127 | T | 23 | Very low | 26.1 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | 19.7 | 110.3 | 157.6 | 51.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 128 | V | 22.5 | Very low | 25.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | 44.8 | 102.2 | 123.4 | -174 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 129 | N | 23.9 | Very low | 25.5 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | -174.7 | 135.4 | 110 | -102.6 | -60.5 | 0 | 0 | 0 | 115.2 | |||||
| 130 | K | 24.5 | Very low | 25.4 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 57.3 | 97 | 148 | -63.9 | 177.1 | -176.4 | -178.2 | 0 | 121.3 | ||||
| 131 | L | 26.1 | Very low | 25.2 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -67.2 | 176.6 | 149.2 | -73.1 | 157.4 | 0 | 0 | 0 | 112.4 | ||||
| 132 | P | 28 | Very low | 25.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -122.9 | 173 | -11.8 | 23.5 | -1.2 | 0 | 0 | 0 | 113.9 | ||||
| 133 | T | 24 | Very low | 25 | Very low | 144 Ų | 144 | 148 Ų | 148 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -97.2 | 143.6 | -178.2 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 134 | D | 23.8 | Very low | 24.7 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -84.6 | 179.3 | 166.7 | -154.7 | -19 | 0 | 0 | 0 | 111.4 | ||||
| 135 | Y | 25.4 | Very low | 24.6 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 64.8 | 111.2 | 164.3 | -91.4 | -114.9 | 0 | 0 | 0 | 120.6 | V137 | Y135-V137 HydrophobicContact CD1-CG2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 4.34Å | ||
| 136 | Q | 27.3 | Very low | 24.6 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | -163.3 | 155.6 | 127.9 | -105.6 | -176.2 | 29 | 0 | 0 | 110.1 | |||||
| 137 | V | 25.8 | Very low | 24.5 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | -180 | 114.5 | -60.3 | 147.3 | 0 | 0 | 0 | 0 | 107.1 | Y135 | Y135-V137 HydrophobicContact CD1-CG2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 4.34Å | |||
| 138 | K | 23.4 | Very low | 24.6 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | trans | 63.9 | 140.5 | 150.2 | -67.2 | 175 | -172.5 | 172.2 | 0 | 122.3 | ||||
| 139 | Q | 24.2 | Very low | 24.6 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | trans | 72.4 | 137.9 | 144.8 | -72.3 | 167.7 | 25.2 | 0 | 0 | 118.6 | ||||
| 140 | R | 26.4 | Very low | 24.6 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | cis | -133.4 | 148.9 | -6.4 | -76.5 | 123.2 | 172.2 | -163.3 | -3.3 | 107.3 | ||||
| 141 | K | 24.7 | Very low | 24.5 | Very low | 144 Ų | 144 | 131 Ų | 131 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | 63.6 | 136 | 50.4 | -66.7 | -165.3 | 172.3 | -165.6 | 0 | 112.5 | |||||
| 142 | Q | 24.4 | Very low | 24.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 62% | 0.621 | S | S | * | * | cis | -154 | -170.9 | 21.6 | -127.7 | 146.3 | -32.9 | 0 | 0 | 111.6 | ||||
| 143 | L | 23.6 | Very low | 24.2 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 76% | 0.764 | 60% | 0.6 | S | S | * | * | trans | 82.3 | 73.1 | 170.6 | -57.8 | 173.7 | 0 | 0 | 0 | 119.7 | Y145 | L143-Y145 HydrophobicContact CD2-CE2 4.44Š| ||
| 144 | K | 24.7 | Very low | 24.2 | Very low | 177 Ų | 177 | 121.4 Ų | 121.4 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | trans | -137 | 139.4 | 135 | -85.4 | -164.5 | 173.4 | -170.2 | 0 | 108.4 | ||||
| 145 | Y | 23.4 | Very low | 24.2 | Very low | 205 Ų | 205 | 118.7 Ų | 118.7 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | trans | -131.4 | 95.3 | -175.7 | -93.3 | -80.6 | 0 | 0 | 0 | 110.6 | L143 | L143-Y145 HydrophobicContact CD2-CE2 4.44Š| ||
| 146 | Q | 23.4 | Very low | 24.3 | Very low | 70 Ų | 70 | 111.4 Ų | 111.4 | 33% | 0.327 | 54% | 0.537 | S | S | . | . | trans | -136.5 | 123.3 | 162.8 | -73.4 | 144.9 | -75.4 | 0 | 0 | 105.2 | E1202 Y1238 S1428 | Q146-E1202 PolarHBondContact NE2-OE2 3.41Å; Q146-Y1238 PolarHBondContact NE2-OH 3.05Å; Q146-S1428 WeakPolarHBondContact O-CB 3.12Å; Q146-S1428 PolarHBondContact O-OG 3.04Å | ||
| 147 | A | 22.5 | Very low | 24.2 | Very low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | cis | 88 | 136.5 | 39.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 148 | N | 25.1 | Very low | 24.2 | Very low | 27 Ų | 27 | 107.6 Ų | 107.6 | 14% | 0.144 | 51% | 0.514 | C | S | . | . | trans | 81.9 | 127.7 | -174.9 | -45.6 | -22.3 | 0 | 0 | 0 | 112.9 | Y1238 K1241 | N148-Y1238 PolarHBondContact ND2-O 2.72Å; N148-K1241 WeakPolarHBondContact OD1-CE 3.44Å; N148-K1241 PolarHBondContact OD1-NZ 2.77Å | ||
| 149 | Y | 22.2 | Very low | 24.3 | Very low | 94 Ų | 94 | 101.7 Ų | 101.7 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | cis | 79.3 | 149 | 41.1 | -63.1 | -63.4 | 0 | 0 | 0 | 111.7 | I1240 P1480 K1481 | Y149-I1240 VanDerWaalsContact O-CD1 3.3Å; Y149-I1240 WeakPolarHBondContact O-CD1 3.34Å; Y149-P1480 HydrophobicContact CE1-CB 3.82Å; Y149-P1480 HydrophobicContact CE1-CG 4.1Å; Y149-K1481 HydrophobicContact CD1-CD 4.33Å; Y149-K1481 HydrophobicContact CD1-CG 3.7Å; Y149-K1481 HydrophobicContact CE1-CG 4.17Å | ||
| 150 | P | 24.1 | Very low | 24.4 | Very low | 9 Ų | 9 | 97.4 Ų | 97.4 | 6% | 0.058 | 47% | 0.474 | C | S | . | . | -125.6 | -172.9 | -105.4 | 48.7 | -51.8 | 0 | 0 | 0 | 121.1 | T152 I1240 K1481 | P150-T152 PolarHBondContact O-N 2.69Å; P150-I1240 HydrophobicContact CG-CG2 4.25Å; P150-I1240 WeakPolarHBondContact O-CD1 3.44Å; P150-K1481 HydrophobicContact CB-CD 3.39Å; P150-K1481 VanDerWaalsContact CB-CE 3.43Å; P150-K1481 HydrophobicContact CB-CG 3.97Å; P150-K1481 HydrophobicContact CG-CB 3.82Å; P150-K1481 HydrophobicContact CG-CD 3.48Å; P150-K1481 VanDerWaalsContact CG-CD 3.48Å; P150-K1481 HydrophobicContact CG-CG 3.52Å | |||
| 151 | N | 21.8 | Very low | 24.3 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | trans | 48.1 | 49.9 | 136 | -69.4 | 31.4 | 0 | 0 | 0 | 118.1 | ||||
| 152 | T | 21.6 | Very low | 24.4 | Very low | 103 Ų | 103 | 94 Ų | 94 | 63% | 0.632 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -165.3 | 131.4 | 135.5 | 17.9 | 0 | 0 | 0 | 0 | 109.6 | P150 S154 | P150-T152 PolarHBondContact O-N 2.69Å; T152-S154 PolarHBondContact O-N 3.49Å |
| 153 | N | 26.1 | Very low | 24.8 | Very low | 64 Ų | 64 | 90.7 Ų | 90.7 | 34% | 0.342 | 46% | 0.456 | S | S | . | . | S | Bend | trans | 53.3 | 2.5 | 163.6 | -57 | -16.8 | 0 | 0 | 0 | 119.6 | N155 L156 V1281 | N153-N155 PolarHBondContact O-N 3.45Å; N153-L156 PolarHBondContact O-N 3.34Å; N153-V1281 VanDerWaalsContact ND2-CG2 3.29Å; N153-V1281 WeakPolarHBondContact ND2-CG2 3.44Å |
| 154 | S | 23.8 | Very low | 25.2 | Very low | 61 Ų | 61 | 91.3 Ų | 91.3 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -70.6 | -16.5 | -165.1 | 54.2 | 0 | 0 | 0 | 0 | 116.7 | T152 L156 | T152-S154 PolarHBondContact O-N 3.49Å; S154-L156 PolarHBondContact O-N 2.8Å |
| 155 | N | 24.8 | Very low | 25.5 | Very low | 82 Ų | 82 | 84.2 Ų | 84.2 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -84.2 | -3 | -178.3 | -82.6 | -36.2 | 0 | 0 | 0 | 115 | N153 L157 L1396 | N153-N155 PolarHBondContact O-N 3.45Å; N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 3.41Å; N155-L1396 HydrophobicContact CB-CD1 4.17Å |
| 156 | L | 26.7 | Very low | 25.8 | Very low | 33 Ų | 33 | 76.7 Ų | 76.7 | 17% | 0.173 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -76.1 | -12.4 | 175.6 | -79.9 | 159 | 0 | 0 | 0 | 113.9 | N153 S154 I1335 | N153-L156 PolarHBondContact O-N 3.34Å; S154-L156 PolarHBondContact O-N 2.8Å; L156-I1335 HydrophobicContact CD1-CD1 4.06Å; L156-I1335 HydrophobicContact CD2-CD1 3.49Å; L156-I1335 VanDerWaalsContact CD2-CD1 3.49Å; L156-I1335 HydrophobicContact CG-CD1 4.42Å |
| 157 | L | 26.3 | Very low | 26.2 | Very low | 84 Ų | 84 | 79.4 Ų | 79.4 | 44% | 0.44 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -105.3 | 24 | -175.8 | -72.6 | 167.3 | 0 | 0 | 0 | 114.7 | N155 V159 | N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 3.41Å; L157-V159 HydrophobicContact CD2-CG2 3.76Å; L157-V159 PolarHBondContact O-N 2.86Å |
| 158 | K | 25.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 77.8 Ų | 77.8 | 53% | 0.53 | 40% | 0.398 | S | S | . | . | trans | -67.7 | 56.2 | 148.5 | -98.4 | -174.7 | 173.3 | 178.7 | 0 | 109.6 | D160 D1391 T1393 | K158-D160 PolarHBondContact O-N 2.81Å; K158-D1391 IonicContact NZ-OD1 2.64Å; K158-D1391 IonicContact NZ-OD2 2.71Å; K158-D1391 PolarHBondContact NZ-OD2 3.02Å; K158-T1393 PolarHBondContact NZ-OG1 3.45Å | ||
| 159 | V | 25.4 | Very low | 27.5 | Very low | 50 Ų | 50 | 77.9 Ų | 77.9 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | trans | -61.2 | 123.4 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | L157 K163 | L157-V159 HydrophobicContact CD2-CG2 3.76Å; L157-V159 PolarHBondContact O-N 2.86Å; V159-K163 HydrophobicContact CG1-CD 3.83Å; V159-K163 HydrophobicContact CG1-CG 3.91Å | ||
| 160 | D | 25.6 | Very low | 28.1 | Very low | 62 Ų | 62 | 81.9 Ų | 81.9 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | trans | -48.1 | 148.4 | -170.8 | -63.8 | -59.5 | 0 | 0 | 0 | 112.9 | K158 T162 K163 R1324 | K158-D160 PolarHBondContact O-N 2.81Å; D160-T162 WeakPolarHBondContact CB-OG1 3.3Å; D160-T162 PolarHBondContact O-N 3.34Å; D160-K163 PolarHBondContact O-N 3.11Å; D160-R1324 IonicContact OD2-CZ 3.75Å; D160-R1324 IonicContact OD2-NH1 3.78Å; D160-R1324 PolarHBondContact OD2-NH1 3Å; D160-R1324 IonicContact OD2-NH2 2.86Å; D160-R1324 PolarHBondContact OD2-NH2 3.3Å | ||
| 161 | K | 26.2 | Very low | 28.6 | Very low | 194 Ų | 194 | 83.2 Ų | 83.2 | 84% | 0.843 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 23.4 | 171.1 | -58.9 | 178.7 | -179.5 | 177.1 | 0 | 113 | ||
| 162 | T | 25 | Very low | 29.4 | Very low | 94 Ų | 94 | 85.2 Ų | 85.2 | 58% | 0.577 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 10.6 | -175 | 63 | 0 | 0 | 0 | 0 | 113 | D160 K164 | D160-T162 WeakPolarHBondContact CB-OG1 3.3Å; D160-T162 PolarHBondContact O-N 3.34Å; T162-K164 PolarHBondContact O-N 3.29Å |
| 163 | K | 33.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 80.6 Ų | 80.6 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | trans | -61.7 | 85.9 | 158.4 | -101.5 | -159.7 | 175.1 | -170.3 | 0 | 108.4 | V159 D160 E1270 | V159-K163 HydrophobicContact CG1-CD 3.83Å; V159-K163 HydrophobicContact CG1-CG 3.91Å; D160-K163 PolarHBondContact O-N 3.11Å; K163-E1270 IonicContact NZ-OE1 2.69Å; K163-E1270 PolarHBondContact NZ-OE1 3.19Å | ||
| 164 | K | 31.9 | Very low | 30.9 | Very low | 159 Ų | 159 | 78.9 Ų | 78.9 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 139 | 161.8 | -68.9 | 171.7 | -178.5 | 162.7 | 0 | 107.4 | T162 | T162-K164 PolarHBondContact O-N 3.29Š|
| 165 | L | 30.8 | Very low | 31.7 | Very low | 28 Ų | 28 | 78.6 Ų | 78.6 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63 | 144.4 | 168.9 | -80.4 | 100.3 | 0 | 0 | 0 | 108.5 | N167 L168 M1144 T1193 I1196 | L165-N167 PolarHBondContact O-N 3.31Å; L165-N167 VanDerWaalsContact O-N 3.13Å; L165-L168 HydrophobicContact CB-CD1 4.3Å; L165-L168 HydrophobicContact CD2-CD1 4.44Å; L165-M1144 HydrophobicContact CD1-CB 3.75Å; L165-M1144 HydrophobicContact CD1-CE 4.5Å; L165-M1144 HydrophobicContact CD1-CG 4.39Å; L165-M1144 HydrophobicContact CD1-SD 3.95Å; L165-M1144 HydrophobicContact CD2-CE 4Å; L165-M1144 HydrophobicContact CD2-SD 3.53Å; L165-M1144 VanDerWaalsContact CD2-SD 3.53Å; L165-M1144 HydrophobicContact CG-SD 4.39Å; L165-T1193 HydrophobicContact CD2-CG2 4.27Å; L165-I1196 HydrophobicContact CD2-CG2 4.42Å |
| 166 | P | 30.3 | Very low | 32.5 | Very low | 47 Ų | 47 | 75.2 Ų | 75.2 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -60 | 122.5 | -176.7 | 24.2 | -33.3 | 0 | 0 | 0 | 109.1 | L168 Y1192 | P166-L168 HydrophobicContact CG-CD1 4.32Å; P166-L168 WeakPolarHBondContact O-CD1 3.47Å; P166-L168 WeakPolarHBondContact O-CG 3.36Å; P166-L168 PolarHBondContact O-N 3.49Å; P166-Y1192 HydrophobicContact CG-CE1 3.86Å |
| 167 | N | 31.7 | Very low | 33 | Very low | 128 Ų | 128 | 74 Ų | 74 | 68% | 0.684 | 36% | 0.364 | S | S | * | . | trans | -31.9 | 95.4 | -171.9 | -71.6 | -83.9 | 0 | 0 | 0 | 113.6 | L165 | L165-N167 PolarHBondContact O-N 3.31Å; L165-N167 VanDerWaalsContact O-N 3.13Å | ||
| 168 | L | 34.7 | Very low | 33.5 | Very low | 30 Ų | 30 | 71.1 Ų | 71.1 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | trans | -99.3 | 119.7 | -175.9 | -86.4 | 136.6 | 0 | 0 | 0 | 108.7 | L165 P166 I1141 K1189 T1193 | L165-L168 HydrophobicContact CB-CD1 4.3Å; L165-L168 HydrophobicContact CD2-CD1 4.44Å; P166-L168 HydrophobicContact CG-CD1 4.32Å; P166-L168 WeakPolarHBondContact O-CD1 3.47Å; P166-L168 WeakPolarHBondContact O-CG 3.36Å; P166-L168 PolarHBondContact O-N 3.49Å; L168-I1141 HydrophobicContact CB-CD1 4.35Å; L168-I1141 WeakPolarHBondContact O-CD1 3.48Å; L168-K1189 HydrophobicContact CD2-CB 3.86Å; L168-T1193 HydrophobicContact CD1-CG2 3.27Å; L168-T1193 HydrophobicContact CD2-CG2 3.86Å; L168-T1193 HydrophobicContact CG-CG2 4.19Å | ||
| 169 | I | 40.4 | Very low | 33.9 | Very low | 30 Ų | 30 | 66.3 Ų | 66.3 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | trans | 62.5 | 60.4 | 162.6 | -50.9 | 179 | 0 | 0 | 0 | 111.9 | L171 I1137 L1186 | I169-L171 HydrophobicContact CG2-CD1 3.66Å; I169-L171 HydrophobicContact CG2-CG 3.84Å; I169-I1137 HydrophobicContact CB-CG2 4.12Å; I169-I1137 HydrophobicContact CD1-CD1 3.83Å; I169-I1137 HydrophobicContact CD1-CG2 3.76Å; I169-I1137 HydrophobicContact CG1-CG2 4.43Å; I169-I1137 HydrophobicContact CG2-CG2 4.26Å; I169-L1186 HydrophobicContact CD1-CD1 3.81Å; I169-L1186 HydrophobicContact CD1-CD2 4.29Å; I169-L1186 HydrophobicContact CD1-CG 3.94Å; I169-L1186 HydrophobicContact CG1-CD1 4.22Å | ||
| 170 | K | 34.2 | Very low | 34 | Very low | 178 Ų | 178 | 64.3 Ų | 64.3 | 77% | 0.774 | 32% | 0.319 | S | S | * | . | trans | -82.8 | 100.2 | 143.3 | -72.8 | -175.4 | 177.6 | 177.9 | 0 | 107.3 | ||||
| 171 | L | 34.8 | Very low | 34.3 | Very low | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | trans | -93.3 | 150.1 | 164.9 | -70.1 | 166.3 | 0 | 0 | 0 | 108.5 | I169 P173 I256 Y1134 | I169-L171 HydrophobicContact CG2-CD1 3.66Å; I169-L171 HydrophobicContact CG2-CG 3.84Å; L171-P173 WeakPolarHBondContact O-CD 3.28Å; L171-I256 HydrophobicContact CD2-CD1 4.2Å; L171-Y1134 HydrophobicContact CD1-CD1 3.84Å; L171-Y1134 HydrophobicContact CD1-CD2 4.26Å; L171-Y1134 HydrophobicContact CD1-CE1 3.37Å; L171-Y1134 HydrophobicContact CD1-CE2 3.83Å; L171-Y1134 HydrophobicContact CD1-CG 4.28Å | ||
| 172 | D | 39.4 | Very low | 34.5 | Very low | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | trans | -85.8 | 122.7 | 179.2 | -83.3 | -44.9 | 0 | 0 | 0 | 109.7 | I174 E175 | D172-I174 HydrophobicContact CB-CD1 4.32Å; D172-I174 HydrophobicContact CB-CG1 4.5Å; D172-I174 PolarHBondContact O-N 2.85Å; D172-E175 PolarHBondContact O-N 2.91Å | ||
| 173 | P | 37.6 | Very low | 34.5 | Very low | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | 0.2 | -176.3 | -27.4 | 34 | 0 | 0 | 0 | 117.1 | L171 E176 I177 V1069 Y1072 L1073 | L171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-E176 WeakPolarHBondContact CA-OE2 3.45Å; P173-I177 WeakPolarHBondContact O-CG1 3.38Å; P173-I177 PolarHBondContact O-N 2.77Å; P173-V1069 HydrophobicContact CB-CG1 3.44Å; P173-V1069 VanDerWaalsContact CB-CG1 3.44Å; P173-Y1072 HydrophobicContact CG-CD1 3.75Å; P173-Y1072 HydrophobicContact CG-CE1 3.56Å; P173-L1073 HydrophobicContact CB-CD2 4.22Å; P173-L1073 HydrophobicContact CB-CG 4.41Å; P173-L1073 HydrophobicContact CG-CD2 4.25Å |
| 174 | I | 40.6 | Very low | 34.1 | Very low | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 176.1 | -45.9 | 162 | 0 | 0 | 0 | 109.8 | D172 E176 I177 V178 Q1041 Y1043 L1073 | D172-I174 HydrophobicContact CB-CD1 4.32Å; D172-I174 HydrophobicContact CB-CG1 4.5Å; D172-I174 PolarHBondContact O-N 2.85Å; I174-E176 VanDerWaalsContact C-N 3.31Å; I174-E176 PolarHBondContact O-N 2.92Å; I174-I177 PolarHBondContact O-N 3.47Å; I174-V178 PolarHBondContact O-N 3.13Å; I174-Q1041 HydrophobicContact CD1-CG 4.39Å; I174-Y1043 WeakPolarHBondContact CD1-OH 3.41Å; I174-L1073 HydrophobicContact CD1-CD2 4.43Å; I174-L1073 HydrophobicContact CG1-CD1 3.81Å; I174-L1073 HydrophobicContact CG1-CD2 3.77Å; I174-L1073 HydrophobicContact CG1-CG 4.48Å |
| 175 | E | 41.3 | Very low | 33.7 | Very low | 55 Ų | 55 | 48 Ų | 48 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | -179.9 | -63.8 | 178.5 | 171.8 | 0 | 0 | 110.7 | D172 V178 V179 F255 | D172-E175 PolarHBondContact O-N 2.91Å; E175-V178 PolarHBondContact O-N 3.22Å; E175-V178 VanDerWaalsContact O-N 3.15Å; E175-V179 WeakPolarHBondContact O-CG2 3.03Å; E175-V179 PolarHBondContact O-N 3.34Å; E175-F255 PolarHBondContact OE1-N 2.64Å |
| 176 | E | 41.3 | Very low | 33.3 | Very low | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | -179.9 | -63.6 | 167.9 | 150.2 | 0 | 0 | 112.7 | P173 I174 V178 S180 Y1099 H1100 Y1134 | P173-E176 WeakPolarHBondContact CA-OE2 3.45Å; I174-E176 VanDerWaalsContact C-N 3.31Å; I174-E176 PolarHBondContact O-N 2.92Å; E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.44Å; E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 2.88Å; E176-S180 PolarHBondContact O-OG 3.46Å; E176-Y1099 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y1099 PolarHBondContact OE1-OH 3.11Å; E176-Y1099 WeakPolarHBondContact OE2-CE1 3.03Å; E176-H1100 IonicContact OE2-CE1 2.69Å; E176-H1100 PolarHBondContact OE2-CE1 2.91Å; E176-H1100 VanDerWaalsContact OE2-CE1 3.28Å; E176-H1100 IonicContact OE2-ND1 3.27Å; E176-Y1134 WeakPolarHBondContact OE1-CD2 3.01Å |
| 177 | I | 37.2 | Very low | 33 | Very low | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 170.5 | -67.1 | 170.7 | 0 | 0 | 0 | 110.6 | P173 I174 Y1066 V1069 F1070 L1073 | P173-I177 WeakPolarHBondContact O-CG1 3.38Å; P173-I177 PolarHBondContact O-N 2.77Å; I174-I177 PolarHBondContact O-N 3.47Å; I177-Y1066 HydrophobicContact CG1-CD1 4.45Å; I177-Y1066 HydrophobicContact CG2-CD1 3.8Å; I177-Y1066 HydrophobicContact CG2-CE1 3.89Å; I177-V1069 HydrophobicContact CD1-CB 3.9Å; I177-V1069 HydrophobicContact CD1-CG1 3.66Å; I177-V1069 HydrophobicContact CG1-CB 4.17Å; I177-V1069 HydrophobicContact CG1-CG1 3.94Å; I177-V1069 HydrophobicContact CG1-CG2 4.48Å; I177-F1070 HydrophobicContact CD1-CD1 3.97Å; I177-F1070 HydrophobicContact CD1-CE1 3.44Å; I177-F1070 VanDerWaalsContact CD1-CE1 3.44Å; I177-F1070 HydrophobicContact CD1-CZ 3.91Å; I177-L1073 HydrophobicContact CD1-CD1 4.49Å |
| 178 | V | 36.2 | Very low | 32.5 | Very low | 24 Ų | 24 | 58.5 Ų | 58.5 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76 | -36.2 | -176.1 | 176 | 0 | 0 | 0 | 0 | 111.6 | I174 E175 E176 Y182 A976 I1039 | I174-V178 PolarHBondContact O-N 3.13Å; E175-V178 PolarHBondContact O-N 3.22Å; E175-V178 VanDerWaalsContact O-N 3.15Å; E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.44Å; V178-Y182 WeakPolarHBondContact O-CD2 3.42Å; V178-Y182 WeakPolarHBondContact O-CE2 3.49Å; V178-A976 HydrophobicContact CG1-CB 3.97Å; V178-I1039 HydrophobicContact CG2-CD1 4.43Å; V178-I1039 HydrophobicContact CG2-CG1 3.92Å |
| 179 | V | 33.2 | Very low | 31.9 | Very low | 22 Ų | 22 | 63.4 Ų | 63.4 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -84.2 | -39.9 | -177.5 | 174.2 | 0 | 0 | 0 | 0 | 113.1 | E175 D181 Y182 | E175-V179 WeakPolarHBondContact O-CG2 3.03Å; E175-V179 PolarHBondContact O-N 3.34Å; V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.12Å; V179-Y182 PolarHBondContact O-N 2.99Å; V179-Y182 VanDerWaalsContact O-N 3.08Å |
| 180 | S | 29.2 | Very low | 31 | Very low | 7 Ų | 7 | 68.9 Ų | 68.9 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.8 | -23.8 | -178.1 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | E176 Y182 R1062 L1096 | E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 2.88Å; E176-S180 PolarHBondContact O-OG 3.46Å; S180-Y182 PolarHBondContact O-N 3.4Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; S180-R1062 PolarHBondContact O-NH2 2.99Å; S180-L1096 WeakPolarHBondContact OG-CD2 3.32Å |
| 181 | D | 30.4 | Very low | 30.4 | Very low | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.193 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.6 | 175.1 | -83 | 13.3 | 0 | 0 | 0 | 114.8 | V179 I1035 R1062 Y1066 | V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.12Å; D181-I1035 WeakPolarHBondContact OD2-CD1 3.19Å; D181-R1062 VanDerWaalsContact CA-NH2 3.26Å; D181-R1062 IonicContact OD1-CZ 3.24Å; D181-R1062 IonicContact OD1-NE 3.45Å; D181-R1062 PolarHBondContact OD1-NE 3.24Å; D181-R1062 IonicContact OD1-NH2 2.88Å; D181-R1062 PolarHBondContact OD1-NH2 3.22Å; D181-Y1066 WeakPolarHBondContact OD1-CE1 3.4Å; D181-Y1066 PolarHBondContact OD1-OH 2.91Å; D181-Y1066 PolarHBondContact OD2-OH 2.92Å |
| 182 | Y | 30.2 | Very low | 29.9 | Very low | 54 Ų | 54 | 70.3 Ų | 70.3 | 21% | 0.212 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 4.2 | -169.9 | -62.1 | -95.5 | 0 | 0 | 0 | 114.5 | V178 V179 S180 W248 F249 R973 | V178-Y182 WeakPolarHBondContact O-CD2 3.42Å; V178-Y182 WeakPolarHBondContact O-CE2 3.49Å; V179-Y182 PolarHBondContact O-N 2.99Å; V179-Y182 VanDerWaalsContact O-N 3.08Å; S180-Y182 PolarHBondContact O-N 3.4Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; Y182-W248 HydrophobicContact CD1-CB 4.31Å; Y182-W248 HydrophobicContact CE1-CB 4.35Å; Y182-F249 WeakPolarHBondContact CD1-O 3.47Å; Y182-R973 PolarHBondContact OH-NE 3.14Å |
| 183 | Q | 26.6 | Very low | 29 | Very low | 37 Ų | 37 | 74 Ų | 74 | 17% | 0.173 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -7.9 | -176.1 | -67.6 | -173.2 | -13.1 | 0 | 0 | 115.1 | G185 P250 Y1128 | Q183-G185 PolarHBondContact O-N 3.1Å; Q183-P250 HydrophobicContact CG-CB 4.49Å; Q183-Y1128 PolarHBondContact OE1-O 3.3Å |
| 184 | D | 24.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 76.3 Ų | 76.3 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | trans | -77.3 | 53 | 172.6 | -66.7 | -35.7 | 0 | 0 | 0 | 112.3 | D186 R1062 | D184-D186 PolarHBondContact O-N 2.71Å; D184-D186 VanDerWaalsContact O-N 3.13Å; D184-R1062 IonicContact OD2-CZ 2.7Å; D184-R1062 IonicContact OD2-NH1 3.85Å; D184-R1062 PolarHBondContact OD2-NH1 3.45Å; D184-R1062 IonicContact OD2-NH2 2.68Å; D184-R1062 PolarHBondContact OD2-NH2 3.31Å | ||
| 185 | G | 23.2 | Very low | 27.5 | Very low | 50 Ų | 50 | 83.3 Ų | 83.3 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | trans | -78.7 | 82.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q183 F187 | Q183-G185 PolarHBondContact O-N 3.1Å; G185-F187 WeakPolarHBondContact O-CD2 3.44Å; G185-F187 PolarHBondContact O-N 3Å | ||
| 186 | D | 22.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 86.7 Ų | 86.7 | 80% | 0.802 | 50% | 0.497 | S | S | * | . | trans | -64 | 122.4 | 177 | -160.1 | 17.7 | 0 | 0 | 0 | 110.4 | D184 | D184-D186 PolarHBondContact O-N 2.71Å; D184-D186 VanDerWaalsContact O-N 3.13Å | ||
| 187 | F | 23.2 | Very low | 25.7 | Very low | 152 Ų | 152 | 94.4 Ų | 94.4 | 67% | 0.667 | 53% | 0.531 | S | S | * | . | trans | -77.1 | 127.6 | -157.7 | -89.6 | -107 | 0 | 0 | 0 | 113.6 | G185 | G185-F187 WeakPolarHBondContact O-CD2 3.44Å; G185-F187 PolarHBondContact O-N 3Å | ||
| 188 | T | 22.4 | Very low | 25 | Very low | 123 Ų | 123 | 102.7 Ų | 102.7 | 76% | 0.755 | 57% | 0.567 | S | S | * | * | trans | 33.5 | 91.2 | 143.5 | 59.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 189 | T | 21.8 | Very low | 24.3 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 82% | 0.816 | 60% | 0.598 | S | S | * | * | trans | -147.6 | 117.5 | 143.2 | 35.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 190 | T | 21 | Very low | 23.8 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 89% | 0.89 | 63% | 0.632 | S | S | * | * | S | Bend | cis | -156.4 | 160 | 47.8 | 40.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 191 | G | 21.1 | Very low | 23.4 | Very low | 73 Ų | 73 | 122.6 Ų | 122.6 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 100.5 | 54.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 192 | I | 25.1 | Very low | 23 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | -154 | 125.7 | 126.7 | -95 | 145.1 | 0 | 0 | 0 | 106.8 | |||||
| 193 | Q | 21.4 | Very low | 22.7 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -97.4 | 154.2 | 166.4 | -68.3 | 176.7 | -51.5 | 0 | 0 | 108.2 | ||||
| 194 | G | 22.3 | Very low | 22.5 | Very low | 55 Ų | 55 | 138.7 Ų | 138.7 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | trans | 132 | 123.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 195 | Q | 22.9 | Very low | 22.4 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | 66.2 | 119.6 | 164.3 | -49.8 | 177.2 | 39.3 | 0 | 0 | 114.6 | ||||
| 196 | N | 23.2 | Very low | 22.4 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | cis | -141 | 150.6 | 1.8 | -71.5 | -55.9 | 0 | 0 | 0 | 107.6 | ||||
| 197 | K | 22.2 | Very low | 22.5 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | 59.3 | 141.4 | 62.8 | -82.1 | -166.5 | 174.8 | -171.5 | 0 | 114.8 | |||||
| 198 | F | 23 | Very low | 22.5 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | 75.9 | 113.1 | -178.2 | -49.3 | -69 | 0 | 0 | 0 | 112.7 | ||||
| 199 | D | 21 | Very low | 22.6 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | cis | 64.7 | 141.5 | 30.8 | -81.3 | -48.5 | 0 | 0 | 0 | 116.1 | ||||
| 200 | Y | 23.5 | Very low | 22.8 | Very low | 216 Ų | 216 | 143 Ų | 143 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -40.1 | 139.2 | -178.9 | -70.4 | -106 | 0 | 0 | 0 | 115.2 | ||||
| 201 | S | 21.1 | Very low | 22.9 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | 173.6 | 147.3 | 114.3 | 47 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 202 | L | 21.4 | Very low | 22.9 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 44.8 | 118.7 | 140 | -83.5 | 74.1 | 0 | 0 | 0 | 123.7 | ||||
| 203 | I | 22.7 | Very low | 22.8 | Very low | 134 Ų | 134 | 144 Ų | 144 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 63.4 | 110.1 | 113.8 | -64.2 | 178.1 | 0 | 0 | 0 | 120.3 | |||||
| 204 | K | 22.9 | Very low | 22.9 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | 70.4 | 151 | 139.3 | -73.9 | 179.1 | -175.5 | 176.9 | 0 | 123 | ||||
| 205 | N | 22.9 | Very low | 23.2 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 85.7 | 98.3 | 143.8 | -74.4 | 10.4 | 0 | 0 | 0 | 122.9 | ||||
| 206 | T | 23.1 | Very low | 23.2 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | 59.3 | 116.2 | 121.1 | 58.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 207 | T | 23.4 | Very low | 23.6 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | 76.7 | 136.1 | 129.8 | 61.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 208 | N | 23.8 | Very low | 23.7 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | trans | 78.2 | 108.3 | 139.3 | -82 | -36.3 | 0 | 0 | 0 | 122.2 | ||||
| 209 | K | 24.4 | Very low | 23.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | 81.8 | 141.9 | 118 | -77.8 | 179.1 | -177 | -179.2 | 0 | 122.4 | |||||
| 210 | N | 25.6 | Very low | 24 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | trans | 87.8 | 93.6 | 139.7 | -73.3 | 9.3 | 0 | 0 | 0 | 122.1 | ||||
| 211 | T | 23.2 | Very low | 24.1 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | 62.4 | 143.9 | 119.3 | 63.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 212 | M | 22.6 | Very low | 24.1 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | 76.2 | 150.7 | 158.9 | -49.5 | -146.9 | -158.8 | 0 | 0 | 116.5 | ||||
| 213 | K | 23 | Very low | 24.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -163.4 | 155.8 | -23.2 | -110.7 | 172.8 | -170.2 | 158.1 | 0 | 107.3 | ||||
| 214 | K | 23.5 | Very low | 24.3 | Very low | 180 Ų | 180 | 142 Ų | 142 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 38.3 | 112.7 | 148.1 | -59.5 | -179.3 | 172.7 | -169.3 | 0 | 118.3 | ||||
| 215 | K | 26.9 | Very low | 24.3 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | 176 | 121.7 | 104.1 | -97.5 | 169.9 | 179.7 | -176.5 | 0 | 113.8 | |||||
| 216 | D | 24.4 | Very low | 24.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -62.5 | 172 | 148.9 | -52.8 | -80.1 | 0 | 0 | 0 | 111.7 | ||||
| 217 | P | 31 | Very low | 24 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -135.5 | -138 | -37.5 | 35.1 | -15.8 | 0 | 0 | 0 | 109.9 | ||||
| 218 | T | 24.1 | Very low | 23.9 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 80.1 | 140.6 | 169 | 73.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 219 | N | 25 | Very low | 23.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 45.6 | 111.4 | 147.7 | -53.5 | -7 | 0 | 0 | 0 | 118 | ||||
| 220 | S | 24.9 | Very low | 23.6 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -163.1 | 134.6 | 2.1 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 221 | I | 26.1 | Very low | 23.5 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | 30.4 | 96.6 | 152.8 | -56.4 | 172.5 | 0 | 0 | 0 | 115.3 | ||||
| 222 | S | 22.3 | Very low | 23.4 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -56.2 | 135.8 | 143 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 223 | E | 23.6 | Very low | 23.4 | Very low | 136 Ų | 136 | 136 Ų | 136 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -142 | 155.6 | 43.3 | -76.5 | 177.1 | 157.1 | 0 | 0 | 110.5 | ||||
| 224 | K | 23.1 | Very low | 23.4 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | cis | 52.1 | 70.1 | 19.3 | -72.7 | -171.1 | 178.2 | 178.5 | 0 | 113.2 | ||||
| 225 | V | 22.4 | Very low | 23.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -128.9 | 143.7 | 82.3 | 162.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 226 | P | 20.3 | Very low | 23.2 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | trans | -88.8 | 170.6 | 170.9 | 6.1 | 14.6 | 0 | 0 | 0 | 113 | ||||
| 227 | V | 21.5 | Very low | 23.2 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 38.2 | 115.4 | 144 | -178.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 228 | A | 21.1 | Very low | 22.6 | Very low | 81 Ų | 81 | 135 Ų | 135 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | -152.3 | 146.4 | 51.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 229 | C | 20.7 | Very low | 22.6 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -86.3 | 106.7 | 151 | -65.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 230 | S | 21 | Very low | 22.5 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | -165.9 | 138.4 | 151.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 231 | N | 22 | Very low | 22.3 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 32.2 | 111.1 | 142.2 | -45.9 | -24 | 0 | 0 | 0 | 115.9 | ||||
| 232 | T | 21.7 | Very low | 22.2 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -178.7 | 161.7 | 55.3 | 46.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 233 | T | 22.8 | Very low | 22.4 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -155.6 | 163.8 | 0.7 | 1.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 234 | K | 23.2 | Very low | 22.4 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -49.7 | 163.1 | 162.6 | -62.1 | 164.9 | 174.8 | 172.9 | 0 | 114.1 | ||||
| 235 | K | 22.9 | Very low | 22.4 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | 92.1 | 94.4 | 166.2 | -57.7 | -180 | 177.5 | -179 | 0 | 116.8 | ||||
| 236 | C | 23.9 | Very low | 22.5 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 92% | 0.919 | 78% | 0.783 | S | S | * | * | -170.8 | 74.7 | 126.9 | -107.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 237 | C | 22.6 | Very low | 22.7 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -107 | 101.8 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 238 | T | 20.2 | Very low | 23 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -169.5 | 133.2 | 154.9 | 15.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | Y | 22.5 | Very low | 23.2 | Very low | 236 Ų | 236 | 143 Ų | 143 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | 62.5 | 158.5 | 172.5 | -56.2 | -72.8 | 0 | 0 | 0 | 118.1 | ||||
| 240 | G | 23.4 | Very low | 23.4 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 128.5 | 81 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 241 | I | 21.9 | Very low | 23.5 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 89% | 0.892 | 73% | 0.734 | S | S | * | * | trans | -73.6 | 134.3 | 161.7 | -62.2 | 170.8 | 0 | 0 | 0 | 107.3 | ||||
| 242 | R | 23.8 | Very low | 23.6 | Very low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -130.1 | 133.8 | 173.4 | -78 | -174 | 165.5 | -163.5 | -9.2 | 110.8 | ||||
| 243 | E | 24.9 | Very low | 23.6 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | trans | -86.6 | 153.7 | 177.2 | -61.2 | -167.1 | 127.3 | 0 | 0 | 111.7 | R1057 | E243-R1057 IonicContact OE1-CZ 3.12Å; E243-R1057 IonicContact OE1-NH1 2.76Å; E243-R1057 PolarHBondContact OE1-NH1 3.08Å | ||
| 244 | P | 24.2 | Very low | 23.7 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -86.6 | 129.3 | 175.7 | 32.8 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 245 | I | 23.2 | Very low | 23.8 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 71% | 0.708 | 62% | 0.621 | S | S | * | * | trans | -116.7 | 126 | -176.8 | -58.9 | 166.2 | 0 | 0 | 0 | 110.3 | ||||
| 246 | E | 24.8 | Very low | 23.7 | Very low | 163 Ų | 163 | 115.4 Ų | 115.4 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | trans | -156.4 | 159.2 | 163.9 | -63.4 | -164.7 | 157.3 | 0 | 0 | 109 | ||||
| 247 | P | 24.2 | Very low | 23.6 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | -138.1 | 137.6 | -72.3 | 34.7 | -15.3 | 0 | 0 | 0 | 113.9 | |||||
| 248 | W | 27 | Very low | 23.6 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 35% | 0.348 | 60% | 0.595 | S | S | . | * | trans | -142.6 | 140.4 | 174.7 | -69.4 | 101.9 | 0 | 0 | 0 | 112.4 | Y182 M938 K939 R973 | Y182-W248 HydrophobicContact CD1-CB 4.31Å; Y182-W248 HydrophobicContact CE1-CB 4.35Å; W248-M938 HydrophobicContact CH2-CB 3.39Å; W248-M938 HydrophobicContact CH2-CE 4.34Å; W248-M938 HydrophobicContact CZ2-CB 4.31Å; W248-M938 HydrophobicContact CZ2-CE 4.23Å; W248-M938 VanDerWaalsContact CZ3-C 3.44Å; W248-M938 HydrophobicContact CZ3-CB 3.86Å; W248-M938 WeakPolarHBondContact CZ3-O 3.17Å; W248-K939 HydrophobicContact CH2-CG 3.95Å; W248-K939 HydrophobicContact CZ3-CB 4.48Å; W248-K939 HydrophobicContact CZ3-CG 4.21Å; W248-R973 VanDerWaalsContact CD2-NH2 3.28Å | ||
| 249 | F | 26.5 | Very low | 23.6 | Very low | 180 Ų | 180 | 118.5 Ų | 118.5 | 79% | 0.789 | 60% | 0.602 | S | S | * | * | trans | -119.2 | 176.8 | -167.8 | -102 | -48.4 | 0 | 0 | 0 | 111.3 | Y182 | Y182-F249 WeakPolarHBondContact CD1-O 3.47Š| ||
| 250 | P | 24.1 | Very low | 23.6 | Very low | 67 Ų | 67 | 115.7 Ų | 115.7 | 44% | 0.435 | 60% | 0.595 | S | S | . | * | trans | -114.9 | 173.6 | -140.6 | 42.2 | -29.5 | 0 | 0 | 0 | 114.5 | Q183 | Q183-P250 HydrophobicContact CG-CB 4.49Š| ||
| 251 | L | 24 | Very low | 23.5 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | trans | -161.8 | 159.8 | 151 | -110.3 | 158.5 | 0 | 0 | 0 | 109.9 | ||||
| 252 | D | 22.8 | Very low | 23.5 | Very low | 37 Ų | 37 | 120.4 Ų | 120.4 | 20% | 0.198 | 60% | 0.602 | C | S | . | * | trans | -103.8 | 159.8 | -169.2 | -66.2 | -63.8 | 0 | 0 | 0 | 113.4 | ||||
| 253 | S | 23.5 | Very low | 23.5 | Very low | 24 Ų | 24 | 116.8 Ų | 116.8 | 17% | 0.168 | 60% | 0.595 | C | S | . | * | trans | 94.9 | 159.4 | 145.9 | 95.5 | 0 | 0 | 0 | 0 | 120.9 | Q980 T1179 | S253-Q980 PolarHBondContact O-NE2 3.01Å; S253-Q980 VanDerWaalsContact O-NE2 3.07Å; S253-T1179 WeakPolarHBondContact OG-CA 3.34Å; S253-T1179 WeakPolarHBondContact OG-CB 3.37Å; S253-T1179 VanDerWaalsContact OG-CG2 3.26Å; S253-T1179 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 254 | L | 23.5 | Very low | 23.4 | Very low | 20 Ų | 20 | 119.6 Ų | 119.6 | 11% | 0.105 | 61% | 0.605 | C | S | . | * | trans | 60.8 | 151.1 | 169.5 | -79 | 158.9 | 0 | 0 | 0 | 117.5 | Q980 E1178 V1182 | L254-Q980 WeakPolarHBondContact CB-O 3.48Å; L254-E1178 HydrophobicContact CD1-CB 3.31Å; L254-E1178 WeakPolarHBondContact CD1-O 3.38Å; L254-V1182 HydrophobicContact CD1-CG2 4.15Å; L254-V1182 HydrophobicContact CD2-CB 4.35Å; L254-V1182 HydrophobicContact CD2-CG1 3.32Å; L254-V1182 HydrophobicContact CD2-CG2 4.25Å; L254-V1182 HydrophobicContact CG-CB 4.28Å; L254-V1182 HydrophobicContact CG-CG1 3.71Å; L254-V1182 HydrophobicContact CG-CG2 3.65Å | ||
| 255 | F | 25.6 | Very low | 23.4 | Very low | 80 Ų | 80 | 120.3 Ų | 120.3 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | cis | -150.9 | 124.8 | 25.5 | -132.9 | -60.4 | 0 | 0 | 0 | 114.5 | E175 K257 Q980 E1178 | E175-F255 PolarHBondContact OE1-N 2.64Å; F255-K257 PolarHBondContact O-N 3.47Å; F255-Q980 WeakPolarHBondContact CD2-O 2.93Å; F255-E1178 WeakPolarHBondContact CE2-OE2 3.36Å | ||
| 256 | I | 20.8 | Very low | 23.4 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | trans | -88.6 | 103.7 | 166.3 | -58.5 | 176.1 | 0 | 0 | 0 | 110.4 | L171 | L171-I256 HydrophobicContact CD2-CD1 4.2Š| ||
| 257 | K | 22.5 | Very low | 23.8 | Very low | 167 Ų | 167 | 116.7 Ų | 116.7 | 73% | 0.726 | 60% | 0.604 | S | S | * | * | trans | -168.5 | 139 | 150.5 | -108.7 | 143.2 | -168.2 | 162.4 | 0 | 117.8 | F255 | F255-K257 PolarHBondContact O-N 3.47Š| ||
| 258 | S | 22.8 | Very low | 23.8 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | trans | 77.7 | 104.5 | 149.3 | 69.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 259 | N | 19.7 | Very low | 23.7 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 89% | 0.888 | 64% | 0.635 | S | S | * | * | trans | -65.9 | 122.5 | 146.1 | -81.7 | -68.1 | 0 | 0 | 0 | 110.2 | ||||
| 260 | K | 22.1 | Very low | 23.5 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 77% | 0.774 | 64% | 0.635 | S | S | * | * | trans | 166.8 | 117.6 | 143.6 | -97.2 | 164.9 | 175.7 | -173.8 | 0 | 111.6 | ||||
| 261 | M | 22.6 | Very low | 23.4 | Very low | 184 Ų | 184 | 128.4 Ų | 128.4 | 91% | 0.906 | 65% | 0.65 | S | S | * | * | 171.3 | 85.6 | 127.9 | -94.2 | -58.4 | -163.2 | 0 | 0 | 110.7 | |||||
| 262 | N | 20.2 | Very low | 23.3 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | trans | -82.6 | 114.8 | 156 | -102.3 | -35.5 | 0 | 0 | 0 | 107.7 | ||||
| 263 | Q | 24.5 | Very low | 23.3 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 68% | 0.682 | S | S | * | * | 176.2 | 142.2 | 128.4 | -100.8 | 175 | 43.9 | 0 | 0 | 116.1 | |||||
| 264 | K | 23.4 | Very low | 23.3 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 94.7 | 105.7 | 139.9 | -78.8 | 163.6 | 173.9 | 151.6 | 0 | 122.3 | ||||
| 265 | V | 23.1 | Very low | 23.3 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | 83.4 | 86 | 119.2 | 177.7 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 266 | T | 23.1 | Very low | 23.1 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -41.3 | 176.2 | 133.4 | 54.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 267 | P | 33.8 | Very low | 23.2 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -129.8 | -161.2 | -34.9 | 37.4 | -19.7 | 0 | 0 | 0 | 110 | ||||
| 268 | H | 23.5 | Very low | 23.3 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -170.6 | 150.3 | 135.2 | -102.1 | -61.9 | 0 | 0 | 0 | 114 | ||||
| 269 | L | 25.7 | Very low | 23.4 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | 63.4 | 153.7 | 162.8 | -60.4 | 161 | 0 | 0 | 0 | 119.1 | ||||
| 270 | R | 22 | Very low | 23.6 | Very low | 210 Ų | 210 | 146 Ų | 146 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | 169.6 | 133.6 | -58.8 | -104.5 | -172.5 | 166.8 | 177.7 | -2.8 | 108 | |||||
| 271 | L | 22.2 | Very low | 23.8 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 67.1 | 144.4 | 152.3 | -58.9 | 165.5 | 0 | 0 | 0 | 116.2 | ||||
| 272 | N | 22.5 | Very low | 23.8 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | cis | -161.1 | 149.7 | 27.7 | -108.8 | -39.1 | 0 | 0 | 0 | 111.8 | ||||
| 273 | R | 22.4 | Very low | 24 | Very low | 222 Ų | 222 | 141.1 Ų | 141.1 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | 45.7 | 153.6 | 132.5 | -59.4 | 168.3 | -171.6 | -164.9 | -2.8 | 122.2 | ||||
| 274 | S | 22.6 | Very low | 23.9 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | cis | -177.6 | 168.2 | -25 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 275 | K | 23.4 | Very low | 23.8 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | 68.1 | 149.7 | 166.6 | -63.1 | -178.4 | 178.5 | -174.3 | 0 | 116.7 | ||||
| 276 | S | 22.9 | Very low | 23.8 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -173.8 | 167.1 | -16.9 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 277 | C | 22.6 | Very low | 23.7 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 68% | 0.676 | 71% | 0.714 | S | S | * | * | trans | 77.9 | 92.7 | 154 | -66 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 278 | D | 24.2 | Very low | 23.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | 74.7 | 106.2 | 105.2 | -60.7 | -39.3 | 0 | 0 | 0 | 123.2 | |||||
| 279 | T | 24.4 | Very low | 23.6 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 77.5 | 165.1 | 130.5 | 75 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 280 | K | 24.3 | Very low | 23.4 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | cis | -158.1 | 155.3 | 15.5 | -141.6 | 156.5 | -174.4 | 172.8 | 0 | 111.7 | ||||
| 281 | Y | 25.9 | Very low | 23.5 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | trans | 66.8 | 158 | 156.2 | -63.2 | -43.9 | 0 | 0 | 0 | 121 | ||||
| 282 | V | 23.6 | Very low | 23.5 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | -165.7 | 151.4 | -44.1 | 103.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 283 | N | 22.8 | Very low | 23.6 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | trans | 37.9 | 124.9 | 148.9 | -59.7 | -10.6 | 0 | 0 | 0 | 123.6 | ||||
| 284 | N | 22.5 | Very low | 23.6 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | 68.5 | 157.9 | 116.2 | -53.6 | -10.6 | 0 | 0 | 0 | 121.4 | |||||
| 285 | F | 22.3 | Very low | 23.7 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | cis | -154.5 | 168.6 | -18.3 | -123.2 | -153 | 0 | 0 | 0 | 110.2 | ||||
| 286 | K | 22.2 | Very low | 23.8 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | trans | -1.5 | 132.6 | 154.9 | -52.2 | 176.4 | -173.6 | 179.3 | 0 | 120.6 | ||||
| 287 | L | 22.9 | Very low | 23.9 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | 1.3 | 165.9 | 119.2 | -64.7 | 163.2 | 0 | 0 | 0 | 119 | |||||
| 288 | P | 30.2 | Very low | 24 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -112.1 | -140.7 | 2.7 | 4.3 | 23.4 | 0 | 0 | 0 | 111.8 | ||||
| 289 | F | 23.2 | Very low | 23.9 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | cis | -149.6 | -161.3 | 5.7 | -131.9 | -70.3 | 0 | 0 | 0 | 110.7 | ||||
| 290 | K | 23.2 | Very low | 24.3 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | -136.1 | 155.4 | 167.3 | -70.6 | -175.7 | 178.1 | -173.9 | 0 | 109.4 | ||||
| 291 | S | 23.3 | Very low | 24.3 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -150.6 | 136.5 | 134.3 | 54 | 0 | 0 | 0 | 0 | 110 | ||||
| 292 | E | 22.7 | Very low | 24.2 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -170.4 | 127.4 | 146.2 | -123.1 | 176.2 | -133.4 | 0 | 0 | 108.4 | ||||
| 293 | S | 23.9 | Very low | 24.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -112.7 | 127.3 | 176.4 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 294 | R | 23.4 | Very low | 24.3 | Very low | 221 Ų | 221 | 148.6 Ų | 148.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -99.3 | 139.5 | 168.6 | -73.3 | -175.8 | 175.6 | 177.9 | -2.3 | 110.3 | ||||
| 295 | L | 24.3 | Very low | 24.5 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | -114.6 | 147.4 | 158.6 | -82.2 | 166.7 | 0 | 0 | 0 | 108.7 | ||||
| 296 | Y | 24.7 | Very low | 24.8 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -89.3 | 155.8 | 172.5 | -84.7 | -106.3 | 0 | 0 | 0 | 110.1 | ||||
| 297 | H | 24.9 | Very low | 25 | Very low | 181 Ų | 181 | 145 Ų | 145 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | 172.5 | 166.7 | 113.3 | -91.5 | -69.5 | 0 | 0 | 0 | 113.5 | |||||
| 298 | S | 24.4 | Very low | 25.3 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 60.5 | 99.5 | 158.5 | 53.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 299 | S | 23.8 | Very low | 25.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 22.9 | 165.3 | 102.5 | 65.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 300 | P | 31.6 | Very low | 25.4 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -139.8 | -154.4 | -33.6 | 37.6 | -16.2 | 0 | 0 | 0 | 112.9 | ||||
| 301 | N | 23.8 | Very low | 25.5 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 75.6 | 156.6 | 159 | -71.5 | -3.9 | 0 | 0 | 0 | 117.9 | ||||
| 302 | L | 24.8 | Very low | 25.6 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | cis | -155.2 | 160.6 | 9.4 | -123 | 152.7 | 0 | 0 | 0 | 112.1 | ||||
| 303 | M | 22.8 | Very low | 25.9 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | trans | 72.1 | 118.9 | 155.5 | -64.8 | -146.1 | -178.2 | 0 | 0 | 124.7 | ||||
| 304 | N | 25.6 | Very low | 26.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | 72.3 | 147.7 | 120.7 | -61.6 | 10.1 | 0 | 0 | 0 | 122 | |||||
| 305 | Q | 27 | Very low | 26.4 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | cis | -161.9 | 168.6 | -9.8 | -119.3 | 164.8 | -23.4 | 0 | 0 | 112.4 | ||||
| 306 | S | 27.6 | Very low | 26.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 62 | 141.1 | 158.3 | 50.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 307 | S | 27 | Very low | 27 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | cis | 138.3 | 143 | -13.9 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 308 | G | 29.1 | Very low | 27.4 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | trans | 159.9 | 40.6 | -175 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 309 | D | 26.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | 40.1 | 140.7 | 106.5 | -65.2 | 39.7 | 0 | 0 | 0 | 118.8 | |||||
| 310 | L | 28.3 | Very low | 28 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | cis | -154.9 | 139.7 | -0.4 | -91.5 | 149.6 | 0 | 0 | 0 | 106.1 | ||||
| 311 | V | 26.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | 54.4 | 125.3 | 78.1 | -178 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 312 | I | 26.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 119.7 Ų | 119.7 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | trans | -170.8 | 147.4 | 145.3 | -104.8 | 155.3 | 0 | 0 | 0 | 112.2 | ||||
| 313 | N | 27.4 | Very low | 29 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | trans | 53.9 | 94.3 | 171.4 | -64.2 | -11 | 0 | 0 | 0 | 118.5 | ||||
| 314 | Q | 28.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 112.8 Ų | 112.8 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | cis | 96.7 | -23.7 | 32 | -61.5 | -171.3 | -34.2 | 0 | 0 | 118.8 | S317 | Q314-S317 PolarHBondContact O-OG 3.29Š| ||
| 315 | N | 30 | Very low | 30.2 | Very low | 153 Ų | 153 | 113.9 Ų | 113.9 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -87.9 | -11.8 | 177.3 | -82.8 | 7.9 | 0 | 0 | 0 | 115 | ||
| 316 | F | 29.8 | Very low | 30.5 | Very low | 160 Ų | 160 | 112.2 Ų | 112.2 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -95.2 | -16.4 | 171.9 | -85.7 | -89.7 | 0 | 0 | 0 | 113.3 | S318 L319 L320 | F316-S318 PolarHBondContact O-N 3.41Å; F316-L319 PolarHBondContact O-N 2.93Å; F316-L320 WeakPolarHBondContact O-CA 3.5Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.32Å |
| 317 | S | 31.1 | Very low | 30.8 | Very low | 59 Ų | 59 | 114.8 Ų | 114.8 | 41% | 0.413 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | -19.9 | -166.6 | 34.1 | 0 | 0 | 0 | 0 | 116.1 | Q314 N321 | Q314-S317 PolarHBondContact O-OG 3.29Å; S317-N321 VanDerWaalsContact O-CB 3.24Å; S317-N321 WeakPolarHBondContact O-CB 3.28Å; S317-N321 PolarHBondContact O-N 2.9Å; S317-N321 PolarHBondContact O-ND2 2.83Å; S317-N321 VanDerWaalsContact O-ND2 3.12Å |
| 318 | S | 33.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 116 Ų | 116 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -60.4 | 169.4 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | F316 L320 N321 E322 | F316-S318 PolarHBondContact O-N 3.41Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.36Å; S318-N321 WeakPolarHBondContact O-CA 3.29Å; S318-N321 PolarHBondContact O-N 3.05Å; S318-E322 PolarHBondContact O-N 3.49Å |
| 319 | L | 29.2 | Very low | 31.3 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -58.6 | -36.8 | -178.3 | -136.6 | 84.8 | 0 | 0 | 0 | 112.3 | F316 L323 | F316-L319 PolarHBondContact O-N 2.93Å; L319-L323 HydrophobicContact CD2-CD1 4.2Å; L319-L323 HydrophobicContact CG-CD1 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CD1 3.48Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.77Å |
| 320 | L | 32.4 | Very low | 31.7 | Very low | 90 Ų | 90 | 116.2 Ų | 116.2 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77 | -25.1 | 175.6 | -165.7 | 71 | 0 | 0 | 0 | 112.1 | F316 S318 T324 | F316-L320 WeakPolarHBondContact O-CA 3.5Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.32Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.36Å; L320-T324 HydrophobicContact CD1-CG2 4.1Å; L320-T324 HydrophobicContact CG-CG2 4.09Å; L320-T324 WeakPolarHBondContact O-CA 2.9Å; L320-T324 WeakPolarHBondContact O-CB 3.21Å; L320-T324 WeakPolarHBondContact O-CG2 3.38Å; L320-T324 PolarHBondContact O-N 3.31Å; L320-T324 PolarHBondContact O-OG1 3.04Å |
| 321 | N | 34.4 | Very low | 32 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.9 | -39.9 | 171.1 | -84.1 | -14 | 0 | 0 | 0 | 111.4 | S317 S318 T324 Q325 | S317-N321 VanDerWaalsContact O-CB 3.24Å; S317-N321 WeakPolarHBondContact O-CB 3.28Å; S317-N321 PolarHBondContact O-N 2.9Å; S317-N321 PolarHBondContact O-ND2 2.83Å; S317-N321 VanDerWaalsContact O-ND2 3.12Å; S318-N321 WeakPolarHBondContact O-CA 3.29Å; S318-N321 PolarHBondContact O-N 3.05Å; N321-T324 CarbonylContact O-C 3.18Å; N321-T324 PolarHBondContact O-N 2.94Å; N321-Q325 WeakPolarHBondContact O-CB 3.47Å; N321-Q325 WeakPolarHBondContact O-CG 3.46Å; N321-Q325 PolarHBondContact O-N 3.07Å |
| 322 | E | 33 | Very low | 32.4 | Very low | 121 Ų | 121 | 111.7 Ų | 111.7 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | 172.3 | -68.9 | -178.8 | 139.9 | 0 | 0 | 110.8 | S318 T324 Q325 Q326 | S318-E322 PolarHBondContact O-N 3.49Å; E322-T324 VanDerWaalsContact C-N 3.26Å; E322-T324 PolarHBondContact O-N 2.92Å; E322-Q325 PolarHBondContact O-N 3.36Å; E322-Q326 VanDerWaalsContact O-CB 3.3Å; E322-Q326 WeakPolarHBondContact O-CB 3.47Å; E322-Q326 WeakPolarHBondContact O-CG 3.45Å; E322-Q326 PolarHBondContact O-N 3.04Å |
| 323 | L | 34.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 111.3 Ų | 111.3 | 44% | 0.44 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72 | -10.4 | 174.6 | -66.9 | 170.1 | 0 | 0 | 0 | 114 | L319 R327 | L319-L323 HydrophobicContact CD2-CD1 4.2Å; L319-L323 HydrophobicContact CG-CD1 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CD1 3.48Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.77Å; L323-R327 WeakPolarHBondContact O-CA 3.45Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.88Å |
| 324 | T | 36.6 | Very low | 32.6 | Very low | 51 Ų | 51 | 110.1 Ų | 110.1 | 31% | 0.313 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -107 | -7.7 | 168.2 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | L320 N321 E322 K328 | L320-T324 HydrophobicContact CD1-CG2 4.1Å; L320-T324 HydrophobicContact CG-CG2 4.09Å; L320-T324 WeakPolarHBondContact O-CA 2.9Å; L320-T324 WeakPolarHBondContact O-CB 3.21Å; L320-T324 WeakPolarHBondContact O-CG2 3.38Å; L320-T324 PolarHBondContact O-N 3.31Å; L320-T324 PolarHBondContact O-OG1 3.04Å; N321-T324 CarbonylContact O-C 3.18Å; N321-T324 PolarHBondContact O-N 2.94Å; E322-T324 VanDerWaalsContact C-N 3.26Å; E322-T324 PolarHBondContact O-N 2.92Å; T324-K328 WeakPolarHBondContact O-CB 3.08Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 3.37Å |
| 325 | Q | 35.9 | Very low | 32.8 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -81.4 | -40.6 | 157.3 | -75.8 | -175.1 | -6.7 | 0 | 0 | 110.1 | N321 E322 K328 L329 | N321-Q325 WeakPolarHBondContact O-CB 3.47Å; N321-Q325 WeakPolarHBondContact O-CG 3.46Å; N321-Q325 PolarHBondContact O-N 3.07Å; E322-Q325 PolarHBondContact O-N 3.36Å; Q325-K328 PolarHBondContact O-N 3.4Å; Q325-L329 PolarHBondContact O-N 3.28Å |
| 326 | Q | 32.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.7 | -42.8 | 169.8 | -68.5 | -176.2 | -4.8 | 0 | 0 | 111.6 | E322 K328 L329 I330 | E322-Q326 VanDerWaalsContact O-CB 3.3Å; E322-Q326 WeakPolarHBondContact O-CB 3.47Å; E322-Q326 WeakPolarHBondContact O-CG 3.45Å; E322-Q326 PolarHBondContact O-N 3.04Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 3.34Å; Q326-L329 PolarHBondContact O-N 3Å; Q326-I330 VanDerWaalsContact O-CB 3.22Å; Q326-I330 WeakPolarHBondContact O-CB 3.32Å; Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 3.4Å |
| 327 | R | 34.2 | Very low | 32.8 | Very low | 161 Ų | 161 | 103.8 Ų | 103.8 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.1 | -17.6 | 166.1 | -74.8 | 175.2 | 121.6 | 172.5 | 1.8 | 113.7 | L323 L331 | L323-R327 WeakPolarHBondContact O-CA 3.45Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.88Å; R327-L331 HydrophobicContact CB-CD1 4.13Å; R327-L331 HydrophobicContact CB-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CA 3.27Å; R327-L331 WeakPolarHBondContact O-CB 3.18Å; R327-L331 WeakPolarHBondContact O-CD1 3.46Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.1Å |
| 328 | K | 35.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 104 Ų | 104 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77 | -44.6 | 167.3 | -89.2 | 179.1 | 172.7 | -172.8 | 0 | 111.4 | T324 Q325 Q326 I330 L331 D332 | T324-K328 WeakPolarHBondContact O-CB 3.08Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 3.37Å; Q325-K328 PolarHBondContact O-N 3.4Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 3.34Å; K328-I330 VanDerWaalsContact C-N 3.29Å; K328-I330 PolarHBondContact O-N 3.03Å; K328-L331 PolarHBondContact O-N 2.75Å; K328-D332 WeakPolarHBondContact O-CA 3.16Å; K328-D332 WeakPolarHBondContact O-CB 3.25Å; K328-D332 PolarHBondContact O-N 3.38Å; K328-D332 VanDerWaalsContact O-OD2 3.08Å |
| 329 | L | 32.5 | Very low | 32.3 | Very low | 125 Ų | 125 | 104.1 Ų | 104.1 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 172.7 | -81.6 | 155.9 | 0 | 0 | 0 | 112.1 | Q325 Q326 M333 | Q325-L329 PolarHBondContact O-N 3.28Å; Q326-L329 PolarHBondContact O-N 3Å; L329-M333 WeakPolarHBondContact O-CB 3.42Å; L329-M333 VanDerWaalsContact O-CG 3.28Å; L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 2.84Å |
| 330 | I | 35.4 | Very low | 32.3 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77.1 | -43.9 | 178.5 | -65.1 | 165.9 | 0 | 0 | 0 | 111.2 | Q326 K328 M333 E334 | Q326-I330 VanDerWaalsContact O-CB 3.22Å; Q326-I330 WeakPolarHBondContact O-CB 3.32Å; Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 3.4Å; K328-I330 VanDerWaalsContact C-N 3.29Å; K328-I330 PolarHBondContact O-N 3.03Å; I330-M333 CarbonylContact O-C 3.43Å; I330-M333 PolarHBondContact O-N 3.17Å; I330-E334 VanDerWaalsContact CG2-CD 3.5Å; I330-E334 HydrophobicContact CG2-CG 4.11Å; I330-E334 VanDerWaalsContact O-CB 3.29Å; I330-E334 WeakPolarHBondContact O-CB 3.49Å; I330-E334 VanDerWaalsContact O-CG 3.29Å; I330-E334 WeakPolarHBondContact O-CG 3.17Å; I330-E334 PolarHBondContact O-N 2.84Å |
| 331 | L | 34.6 | Very low | 32 | Very low | 68 Ų | 68 | 106.7 Ų | 106.7 | 36% | 0.356 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.2 | -30.2 | 175.1 | -64.4 | 168 | 0 | 0 | 0 | 113 | R327 K328 M333 E334 D335 | R327-L331 HydrophobicContact CB-CD1 4.13Å; R327-L331 HydrophobicContact CB-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CA 3.27Å; R327-L331 WeakPolarHBondContact O-CB 3.18Å; R327-L331 WeakPolarHBondContact O-CD1 3.46Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.1Å; K328-L331 PolarHBondContact O-N 2.75Å; L331-M333 PolarHBondContact O-N 2.73Å; L331-E334 PolarHBondContact O-N 3.36Å; L331-D335 WeakPolarHBondContact O-CA 3.31Å; L331-D335 WeakPolarHBondContact O-CB 3.02Å; L331-D335 PolarHBondContact O-N 3.36Å |
| 332 | D | 32.9 | Very low | 31.5 | Very low | 92 Ų | 92 | 106 Ų | 106 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.8 | -15.4 | 172.3 | -65.7 | -36.8 | 0 | 0 | 0 | 110.7 | K328 Q336 | K328-D332 WeakPolarHBondContact O-CA 3.16Å; K328-D332 WeakPolarHBondContact O-CB 3.25Å; K328-D332 PolarHBondContact O-N 3.38Å; K328-D332 VanDerWaalsContact O-OD2 3.08Å; D332-Q336 VanDerWaalsContact O-CB 3.28Å; D332-Q336 WeakPolarHBondContact O-CB 3.37Å; D332-Q336 WeakPolarHBondContact O-CG 3.41Å; D332-Q336 PolarHBondContact O-NE2 3.39Å |
| 333 | M | 29.5 | Very low | 31.1 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -94.3 | -34.8 | 166.6 | -68.5 | -138.1 | -62.7 | 0 | 0 | 113.5 | L329 I330 L331 T337 | L329-M333 WeakPolarHBondContact O-CB 3.42Å; L329-M333 VanDerWaalsContact O-CG 3.28Å; L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 2.84Å; I330-M333 CarbonylContact O-C 3.43Å; I330-M333 PolarHBondContact O-N 3.17Å; L331-M333 PolarHBondContact O-N 2.73Å; M333-T337 PolarHBondContact O-N 3.32Å; M333-T337 PolarHBondContact O-OG1 2.75Å |
| 334 | E | 30.2 | Very low | 30.9 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.6 | -42.6 | 178.3 | -72.7 | 177.8 | 165.7 | 0 | 0 | 112 | I330 L331 Q336 T337 A338 | I330-E334 VanDerWaalsContact CG2-CD 3.5Å; I330-E334 HydrophobicContact CG2-CG 4.11Å; I330-E334 VanDerWaalsContact O-CB 3.29Å; I330-E334 WeakPolarHBondContact O-CB 3.49Å; I330-E334 VanDerWaalsContact O-CG 3.29Å; I330-E334 WeakPolarHBondContact O-CG 3.17Å; I330-E334 PolarHBondContact O-N 2.84Å; L331-E334 PolarHBondContact O-N 3.36Å; E334-Q336 VanDerWaalsContact C-N 3.29Å; E334-Q336 PolarHBondContact O-N 3.25Å; E334-T337 CarbonylContact O-C 3.5Å; E334-T337 PolarHBondContact O-N 3.24Å; E334-T337 PolarHBondContact O-OG1 3.34Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.97Å |
| 335 | D | 32 | Very low | 30.3 | Very low | 89 Ų | 89 | 110 Ų | 110 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.3 | -26.6 | 169.4 | -75.4 | -38.3 | 0 | 0 | 0 | 111.5 | L331 T337 S339 | L331-D335 WeakPolarHBondContact O-CA 3.31Å; L331-D335 WeakPolarHBondContact O-CB 3.02Å; L331-D335 PolarHBondContact O-N 3.36Å; D335-T337 PolarHBondContact O-N 3.16Å; D335-S339 WeakPolarHBondContact O-CB 3.21Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 2.91Å |
| 336 | Q | 30.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 107.4 Ų | 107.4 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -17.8 | 168.6 | -86.8 | -176.6 | 63.2 | 0 | 0 | 113.3 | D332 E334 N340 | D332-Q336 VanDerWaalsContact O-CB 3.28Å; D332-Q336 WeakPolarHBondContact O-CB 3.37Å; D332-Q336 WeakPolarHBondContact O-CG 3.41Å; D332-Q336 PolarHBondContact O-NE2 3.39Å; E334-Q336 VanDerWaalsContact C-N 3.29Å; E334-Q336 PolarHBondContact O-N 3.25Å; Q336-N340 PolarHBondContact O-ND2 2.96Å |
| 337 | T | 27.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -100.2 | -32.5 | 171.7 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | M333 E334 D335 | M333-T337 PolarHBondContact O-N 3.32Å; M333-T337 PolarHBondContact O-OG1 2.75Å; E334-T337 CarbonylContact O-C 3.5Å; E334-T337 PolarHBondContact O-N 3.24Å; E334-T337 PolarHBondContact O-OG1 3.34Å; D335-T337 PolarHBondContact O-N 3.16Å |
| 338 | A | 27.8 | Very low | 28.8 | Very low | 62 Ų | 62 | 99.8 Ų | 99.8 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84.3 | -35.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E334 N340 L341 | E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.97Å; A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 2.72Å; A338-L341 PolarHBondContact O-N 3.17Å |
| 339 | S | 28.1 | Very low | 28.4 | Very low | 81 Ų | 81 | 102.5 Ų | 102.5 | 57% | 0.566 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -72 | -19.2 | 179.7 | 69 | 0 | 0 | 0 | 0 | 113.5 | D335 L341 | D335-S339 WeakPolarHBondContact O-CB 3.21Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 2.91Å; S339-L341 PolarHBondContact O-N 3.37Å |
| 340 | N | 28.3 | Very low | 27.9 | Very low | 133 Ų | 133 | 100.9 Ų | 100.9 | 71% | 0.711 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -68.2 | -1.1 | 177 | -92.1 | -49.4 | 0 | 0 | 0 | 114.2 | Q336 A338 | Q336-N340 PolarHBondContact O-ND2 2.96Å; A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 2.72Å |
| 341 | L | 25 | Very low | 27.4 | Very low | 113 Ų | 113 | 101.9 Ų | 101.9 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -115.8 | 0.7 | -172.7 | -81.2 | 167.5 | 0 | 0 | 0 | 116.5 | A338 S339 K627 | A338-L341 PolarHBondContact O-N 3.17Å; S339-L341 PolarHBondContact O-N 3.37Å; L341-K627 WeakPolarHBondContact O-CE 3.34Å; L341-K627 PolarHBondContact O-NZ 3.44Å |
| 342 | E | 24.6 | Very low | 26.9 | Very low | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -152.6 | 147.2 | 170.6 | -122.9 | 148 | -93 | 0 | 0 | 114.6 | H625 K627 | E342-H625 WeakPolarHBondContact OE2-CA 3.47Å; E342-H625 IonicContact OE2-CG 2.73Å; E342-H625 IonicContact OE2-ND1 2.66Å; E342-H625 PolarHBondContact OE2-ND1 3.2Å; E342-K627 WeakPolarHBondContact OE1-CE 3.35Å; E342-K627 IonicContact OE1-NZ 2.69Å |
| 343 | E | 25.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 55.6 | 99.6 | -179.4 | -63.5 | -144.3 | 146.1 | 0 | 0 | 115.8 | R655 | E343-R655 IonicContact OE1-CZ 3.85Å; E343-R655 IonicContact OE1-NH1 3.7Å; E343-R655 PolarHBondContact OE1-NH1 3.49Å; E343-R655 VanDerWaalsContact OE1-NH1 3.09Å; E343-R655 IonicContact OE1-NH2 3.35Å; E343-R655 PolarHBondContact OE1-NH2 3.46Å |
| 344 | N | 28.6 | Very low | 26.2 | Very low | 101 Ų | 101 | 108 Ų | 108 | 54% | 0.54 | 60% | 0.6 | S | S | . | * | cis | -162.7 | 108.7 | 33.5 | -75.3 | -73.5 | 0 | 0 | 0 | 113.7 | S346 | N344-S346 PolarHBondContact O-N 3.17Š| ||
| 345 | I | 24.5 | Very low | 26 | Very low | 131 Ų | 131 | 109 Ų | 109 | 67% | 0.672 | 61% | 0.609 | S | S | * | * | trans | -74.2 | 113.1 | 145.8 | -18.2 | 82.4 | 0 | 0 | 0 | 108.4 | K659 | I345-K659 HydrophobicContact CG2-CD 4.39Å; I345-K659 PolarHBondContact O-NZ 2.86Å | ||
| 346 | S | 25.3 | Very low | 25.8 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 58% | 0.58 | 61% | 0.61 | S | S | * | * | trans | -123.7 | 117.1 | 162.6 | 54.1 | 0 | 0 | 0 | 0 | 107.6 | N344 G348 | N344-S346 PolarHBondContact O-N 3.17Å; S346-G348 PolarHBondContact O-N 3.29Å | ||
| 347 | P | 22.6 | Very low | 25.5 | Very low | 77 Ų | 77 | 111.1 Ų | 111.1 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -69.2 | 127 | -173 | 27.7 | -33.6 | 0 | 0 | 0 | 110.6 | Y663 | P347-Y663 HydrophobicContact CG-CE1 3.93Š|
| 348 | G | 24.1 | Very low | 25.4 | Very low | 41 Ų | 41 | 113.9 Ų | 113.9 | 42% | 0.423 | 63% | 0.625 | S | S | . | * | trans | -170.4 | -46.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | S346 C350 K693 | S346-G348 PolarHBondContact O-N 3.29Å; G348-C350 VanDerWaalsContact C-N 3.35Å; G348-C350 PolarHBondContact O-N 3.15Å; G348-K693 PolarHBondContact O-NZ 3.16Å | ||
| 349 | Y | 25.9 | Very low | 25.2 | Very low | 194 Ų | 194 | 117.5 Ų | 117.5 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -75.4 | 78.6 | -175.3 | -68.1 | -73.3 | 0 | 0 | 0 | 113.3 | ||||
| 350 | C | 22.9 | Very low | 24.9 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | trans | -142.1 | 156.3 | 165.5 | -68.1 | 0 | 0 | 0 | 0 | 108.9 | G348 K693 | G348-C350 VanDerWaalsContact C-N 3.35Å; G348-C350 PolarHBondContact O-N 3.15Å; C350-K693 PolarHBondContact O-NZ 3.29Å | ||
| 351 | T | 23.3 | Very low | 24.7 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 64% | 0.638 | 65% | 0.647 | S | S | * | * | trans | 71.5 | 119.1 | -166.7 | 74.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 352 | L | 24.2 | Very low | 24.6 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | S | Bend | cis | -126.6 | 160.2 | 2.9 | -55 | 92.1 | 0 | 0 | 0 | 109.6 | ||
| 353 | S | 25.5 | Very low | 24.5 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | cis | -137.1 | 165.6 | 10.2 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 354 | E | 23.4 | Very low | 24.4 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -57.9 | 163 | 165.8 | -56.9 | 103.2 | -154.6 | 0 | 0 | 112.1 | ||||
| 355 | D | 26.3 | Very low | 24 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | cis | -156.6 | 164.3 | 10.4 | -145.2 | -6 | 0 | 0 | 0 | 115.8 | ||||
| 356 | N | 26.2 | Very low | 23.9 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 49% | 0.492 | 70% | 0.701 | S | S | . | * | trans | 64.7 | 103.2 | 153.4 | -70.3 | -58.7 | 0 | 0 | 0 | 123.5 | ||||
| 357 | K | 25.5 | Very low | 23.7 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | 75.6 | 150.1 | 121.3 | -66.9 | 166.3 | 179.3 | 132.8 | 0 | 120.5 | |||||
| 358 | I | 25.3 | Very low | 23.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 73% | 0.728 | S | S | * | * | trans | 66.8 | 127.3 | 174.6 | -55 | 160.7 | 0 | 0 | 0 | 112 | ||||
| 359 | L | 23.3 | Very low | 23.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | cis | 167.5 | 143.9 | -18 | -112.9 | 157.5 | 0 | 0 | 0 | 103.2 | ||||
| 360 | T | 22.4 | Very low | 23.4 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 63.7 | 141.4 | 164.2 | 58.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 361 | I | 24.5 | Very low | 23.4 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 65.3 | 109.4 | 171.7 | -46.5 | 157.9 | 0 | 0 | 0 | 113.1 | ||
| 362 | I | 22.3 | Very low | 23.4 | Very low | 154 Ų | 154 | 139 Ų | 139 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -122.9 | 109.6 | 22.6 | -56.8 | 161.6 | 0 | 0 | 0 | 110.1 | ||
| 363 | H | 22.5 | Very low | 23.2 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -162.1 | 83.9 | 165.3 | -108.1 | -56.4 | 0 | 0 | 0 | 109.4 | ||||
| 364 | S | 23.1 | Very low | 23 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -178.2 | 102.4 | 164.6 | 46.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 365 | N | 21.8 | Very low | 22.9 | Very low | 180 Ų | 180 | 139 Ų | 139 | 96% | 0.963 | 76% | 0.757 | S | S | * | * | trans | -92.7 | 53.7 | 144.7 | -89.7 | 15.4 | 0 | 0 | 0 | 106.6 | ||||
| 366 | D | 21.2 | Very low | 22.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | trans | -114.6 | 125 | -179.3 | -59.2 | -51.6 | 0 | 0 | 0 | 108 | ||||
| 367 | D | 21.7 | Very low | 22.6 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | 48.1 | 113.5 | 155 | -55.2 | -26.4 | 0 | 0 | 0 | 120.5 | ||||
| 368 | G | 22.5 | Very low | 22.5 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -149.4 | 9.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 369 | L | 21.9 | Very low | 22.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | 60.5 | 132.1 | 160.9 | -67 | 164.3 | 0 | 0 | 0 | 121.3 | ||||
| 370 | V | 21.9 | Very low | 22.3 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | 74.2 | 142 | 134.3 | 168.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 371 | H | 22.6 | Very low | 22.4 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | cis | -122.8 | 162.6 | 20.4 | -98.4 | -74.3 | 0 | 0 | 0 | 114.9 | ||||
| 372 | P | 23.4 | Very low | 22.3 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | trans | -94.7 | 157.4 | 166.5 | 38.2 | -32.4 | 0 | 0 | 0 | 112.8 | ||||
| 373 | S | 20.7 | Very low | 22.5 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -167.7 | 148.2 | 140.4 | 43.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 374 | N | 21 | Very low | 22.6 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | -66.4 | 141.9 | 169.8 | -49.3 | -50.8 | 0 | 0 | 0 | 110 | ||||
| 375 | H | 21.9 | Very low | 22.6 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | -171.1 | 127.8 | 107.5 | -91.3 | -71.3 | 0 | 0 | 0 | 106 | |||||
| 376 | V | 21.7 | Very low | 22.8 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | 53 | 114.3 | 79.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 377 | N | 23.7 | Very low | 22.9 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 32.8 | 117.7 | 160.9 | -51.5 | -4.8 | 0 | 0 | 0 | 117.6 | ||||
| 378 | D | 23.1 | Very low | 22.9 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | -174.5 | 146.7 | 111.5 | -99.5 | -10.9 | 0 | 0 | 0 | 113.3 | |||||
| 379 | L | 23 | Very low | 23 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | trans | 51.6 | 145.7 | 142.7 | -50.2 | 168.8 | 0 | 0 | 0 | 119.9 | ||||
| 380 | E | 21.6 | Very low | 23.1 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | cis | -155.4 | 156.1 | -13 | -127.4 | 169.4 | 170.6 | 0 | 0 | 112.4 | ||||
| 381 | T | 24.3 | Very low | 23.2 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 138.2 | -177.7 | 49.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 382 | S | 22.6 | Very low | 23.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -161.7 | 146.6 | 136.5 | 65.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 383 | Y | 26.9 | Very low | 23.5 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -128 | 158.6 | 9.4 | -89 | -95.1 | 0 | 0 | 0 | 113.2 | ||
| 384 | H | 25 | Very low | 23.6 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -2.4 | 116.9 | 174.4 | -52.9 | -56.7 | 0 | 0 | 0 | 119.6 | ||||
| 385 | I | 22.6 | Very low | 23.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | 64.4 | 109.6 | 68.6 | -58.6 | 169.1 | 0 | 0 | 0 | 113.7 | S387 | I385-S387 WeakPolarHBondContact CG2-OG 3.23Š| |||
| 386 | K | 25.9 | Very low | 24.3 | Very low | 219 Ų | 219 | 138.4 Ų | 138.4 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | trans | -129.2 | 79.5 | 142.3 | -127.2 | -174.8 | -173.5 | -177.7 | 0 | 109.7 | ||||
| 387 | S | 22.2 | Very low | 24.5 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -77.1 | 144.2 | 175.6 | 51.8 | 0 | 0 | 0 | 0 | 112 | I385 | I385-S387 WeakPolarHBondContact CG2-OG 3.23Š| ||
| 388 | V | 23.6 | Very low | 24.8 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -131.3 | 91 | 146.5 | -177.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 389 | N | 24.2 | Very low | 25 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -91.7 | 126.3 | 161.1 | -91.1 | -14.5 | 0 | 0 | 0 | 108.1 | ||||
| 390 | M | 22.4 | Very low | 25.3 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -148.1 | 115.8 | 156.9 | -64.7 | -64.6 | -108.1 | 0 | 0 | 104.9 | ||||
| 391 | V | 25.6 | Very low | 25.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | 56.7 | 99.2 | 18.3 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 392 | G | 24.4 | Very low | 25.8 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 176.1 | 86.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H394 | G392-H394 PolarHBondContact O-N 3.22Å; G392-H394 VanDerWaalsContact O-N 3.1Å | ||
| 393 | N | 26.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -29.1 | 98.7 | 172 | -60.2 | -22 | 0 | 0 | 0 | 117.3 | ||||
| 394 | H | 23.6 | Very low | 26.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -148.9 | 126.7 | 142.3 | -75.3 | -63.3 | 0 | 0 | 0 | 107.6 | G392 | G392-H394 PolarHBondContact O-N 3.22Å; G392-H394 VanDerWaalsContact O-N 3.1Å | ||
| 395 | G | 27.9 | Very low | 26.4 | Very low | 61 Ų | 61 | 143.9 Ų | 143.9 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | cis | 98.4 | 105.3 | 9.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 396 | N | 28.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 66 | 72.1 | 168.5 | -55.4 | -8.5 | 0 | 0 | 0 | 117.1 | ||||
| 397 | K | 26.7 | Very low | 26.8 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -163.8 | 113.2 | 144 | -107.4 | 156.1 | -171.7 | 175.4 | 0 | 111.7 | ||
| 398 | I | 29.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | 66.5 | 88.1 | 159.1 | -44.3 | 154.4 | 0 | 0 | 0 | 115 | Q400 | I398-Q400 HydrophobicContact CG2-CB 4.01Š| ||
| 399 | D | 27.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | cis | 59.8 | 22.2 | -2.9 | -86 | 6 | 0 | 0 | 0 | 119.4 | ||||
| 400 | Q | 29.2 | Very low | 27.7 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | trans | -138.5 | 6.6 | 177.6 | -127.8 | 174.7 | 10.2 | 0 | 0 | 117.7 | I398 | I398-Q400 HydrophobicContact CG2-CB 4.01Š| ||
| 401 | Y | 28.1 | Very low | 28.3 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -135 | 21.9 | 174 | -80 | -76.2 | 0 | 0 | 0 | 114.3 | K428 | Y401-K428 WeakPolarHBondContact O-CD 3.45Å; Y401-K428 WeakPolarHBondContact O-CE 3.42Å; Y401-K428 PolarHBondContact O-NZ 3.45Å |
| 402 | L | 28.1 | Very low | 28.7 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 58% | 0.576 | 71% | 0.711 | S | S | * | * | trans | -60.2 | 154.5 | 167.2 | -85.9 | 165.8 | 0 | 0 | 0 | 111.9 | K428 | L402-K428 VanDerWaalsContact CA-CE 3.48Š| ||
| 403 | N | 28.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | trans | 69 | 114 | 169 | -44.4 | -32.1 | 0 | 0 | 0 | 118.2 | ||||
| 404 | N | 29.4 | Very low | 29.4 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | 160.6 | 101.6 | 123.7 | -79.2 | -16 | 0 | 0 | 0 | 115 | |||||
| 405 | Q | 28.9 | Very low | 29.9 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | 62 | 154.1 | 149 | -63 | -162.5 | -5.6 | 0 | 0 | 122.8 | ||||
| 406 | P | 26.3 | Very low | 30 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -106.5 | 165.1 | -170.9 | 41.2 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 407 | I | 30.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -127.7 | 154.8 | -178.9 | -63 | -179.5 | 0 | 0 | 0 | 111.4 | Q411 | I407-Q411 VanDerWaalsContact CG2-OE1 3.24Š| ||
| 408 | S | 28.9 | Very low | 30.5 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 48% | 0.483 | 67% | 0.666 | S | S | . | * | trans | -94.1 | 155.6 | -151.9 | 82.1 | 0 | 0 | 0 | 0 | 118 | K410 Q411 | S408-K410 VanDerWaalsContact C-N 3.25Å; S408-K410 PolarHBondContact O-N 3.12Å; S408-K410 VanDerWaalsContact O-N 3.08Å; S408-Q411 PolarHBondContact O-N 3.11Å | ||
| 409 | I | 27.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 64% | 0.641 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -55.9 | -26.7 | -174.2 | -65 | 165.4 | 0 | 0 | 0 | 114.5 | F412 | I409-F412 WeakPolarHBondContact O-CB 3.23Å; I409-F412 PolarHBondContact O-N 3.26Å |
| 410 | K | 32.1 | Very low | 31.3 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -73.8 | -24.7 | -178.4 | -77.2 | -171 | 179.3 | -177.5 | 0 | 114.2 | S408 F412 | S408-K410 VanDerWaalsContact C-N 3.25Å; S408-K410 PolarHBondContact O-N 3.12Å; S408-K410 VanDerWaalsContact O-N 3.08Å; K410-F412 VanDerWaalsContact C-N 3.29Å |
| 411 | Q | 36 | Very low | 31.7 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -81.9 | -11.3 | 177.5 | -73.3 | 166.1 | -50.1 | 0 | 0 | 112.6 | I407 S408 I413 | I407-Q411 VanDerWaalsContact CG2-OE1 3.24Å; S408-Q411 PolarHBondContact O-N 3.11Å; Q411-I413 PolarHBondContact O-N 2.75Å |
| 412 | F | 33.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 48% | 0.482 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -76.8 | -1.2 | -177.8 | -131 | -89.2 | 0 | 0 | 0 | 114.6 | I409 K410 L420 | I409-F412 WeakPolarHBondContact O-CB 3.23Å; I409-F412 PolarHBondContact O-N 3.26Å; K410-F412 VanDerWaalsContact C-N 3.29Å; F412-L420 HydrophobicContact CD1-CD1 4.14Å; F412-L420 HydrophobicContact CE1-CD1 4.08Å; F412-L420 HydrophobicContact CE1-CD2 4.43Å; F412-L420 HydrophobicContact CE1-CG 4.4Å |
| 413 | I | 33.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 61% | 0.605 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -107.7 | -14.1 | -163.2 | -64.6 | 173.5 | 0 | 0 | 0 | 113.1 | Q411 | Q411-I413 PolarHBondContact O-N 2.75Š|
| 414 | H | 32.8 | Very low | 33.1 | Very low | 179 Ų | 179 | 116.6 Ų | 116.6 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -133.6 | 14.6 | -170.4 | -83.8 | -68.1 | 0 | 0 | 0 | 115.7 | ||
| 415 | L | 32.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | trans | -104 | 147.2 | -179.8 | -73.2 | 171.2 | 0 | 0 | 0 | 112.3 | D419 | L415-D419 HydrophobicContact CB-CB 4.32Š| ||
| 416 | N | 30.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | trans | -70.9 | 163.7 | -172.9 | -76.8 | -45.4 | 0 | 0 | 0 | 112.4 | S418 D419 L420 | N416-S418 PolarHBondContact O-N 3.1Å; N416-S418 VanDerWaalsContact O-N 3.11Å; N416-D419 PolarHBondContact N-OD2 3.13Å; N416-D419 PolarHBondContact O-N 3.15Å; N416-L420 PolarHBondContact O-N 3.06Å; N416-L420 VanDerWaalsContact O-N 3.1Å | ||
| 417 | S | 30.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 110.3 Ų | 110.3 | 77% | 0.769 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -19.6 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 418 | S | 34.7 | Very low | 33.9 | Very low | 63 Ų | 63 | 107.8 Ų | 107.8 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -44.6 | 168.4 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | N416 L421 L422 | N416-S418 PolarHBondContact O-N 3.1Å; N416-S418 VanDerWaalsContact O-N 3.11Å; S418-L421 VanDerWaalsContact O-CB 3.29Å; S418-L421 WeakPolarHBondContact O-CB 3.37Å; S418-L421 PolarHBondContact O-N 3.2Å; S418-L422 PolarHBondContact O-N 3.13Å |
| 419 | D | 38.5 | Very low | 34 | Very low | 58 Ų | 58 | 110.9 Ų | 110.9 | 31% | 0.31 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -88.4 | -36.6 | -162.8 | -42.7 | -28.4 | 0 | 0 | 0 | 109.9 | L415 N416 L421 L422 L423 | L415-D419 HydrophobicContact CB-CB 4.32Å; N416-D419 PolarHBondContact N-OD2 3.13Å; N416-D419 PolarHBondContact O-N 3.15Å; D419-L421 PolarHBondContact O-N 3.14Å; D419-L422 PolarHBondContact O-N 2.89Å; D419-L423 PolarHBondContact O-N 3.49Å |
| 420 | L | 36.5 | Very low | 34.2 | Very low | 65 Ų | 65 | 112.3 Ų | 112.3 | 34% | 0.34 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.3 | -29.2 | 167.4 | -142.3 | 96.9 | 0 | 0 | 0 | 111.6 | F412 N416 L424 | F412-L420 HydrophobicContact CD1-CD1 4.14Å; F412-L420 HydrophobicContact CE1-CD1 4.08Å; F412-L420 HydrophobicContact CE1-CD2 4.43Å; F412-L420 HydrophobicContact CE1-CG 4.4Å; N416-L420 PolarHBondContact O-N 3.06Å; N416-L420 VanDerWaalsContact O-N 3.1Å; L420-L424 HydrophobicContact CD2-CD1 4.4Å; L420-L424 HydrophobicContact CG-CD1 4.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.15Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å |
| 421 | L | 38.1 | Very low | 34 | Very low | 94 Ų | 94 | 111 Ų | 111 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.2 | -33.8 | 179.8 | -146.3 | 85.8 | 0 | 0 | 0 | 112.7 | S418 D419 K462 | S418-L421 VanDerWaalsContact O-CB 3.29Å; S418-L421 WeakPolarHBondContact O-CB 3.37Å; S418-L421 PolarHBondContact O-N 3.2Å; D419-L421 PolarHBondContact O-N 3.14Å; L421-K462 HydrophobicContact CD2-CD 4.2Å; L421-K462 HydrophobicContact CG-CD 4.14Å; L421-K462 PolarHBondContact O-NZ 3.37Å |
| 422 | L | 41.7 | Very low | 33.5 | Very low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.6 | -35.7 | -178 | -94.4 | 152.2 | 0 | 0 | 0 | 112.7 | S418 D419 L424 | S418-L422 PolarHBondContact O-N 3.13Å; D419-L422 PolarHBondContact O-N 2.89Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 3.42Å |
| 423 | L | 36.8 | Very low | 33 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -8.7 | -178.4 | -121.5 | 142.2 | 0 | 0 | 0 | 114.1 | D419 | D419-L423 PolarHBondContact O-N 3.49Š|
| 424 | L | 34.4 | Very low | 32.6 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 41% | 0.408 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | 21.5 | -166.2 | -78.3 | 178.1 | 0 | 0 | 0 | 116.2 | L420 L422 | L420-L424 HydrophobicContact CD2-CD1 4.4Å; L420-L424 HydrophobicContact CG-CD1 4.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.15Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 3.42Å |
| 425 | L | 36.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 61% | 0.613 | 62% | 0.62 | S | S | * | * | trans | -146.7 | 35.1 | 164.6 | -85.3 | -166.3 | 0 | 0 | 0 | 113.7 | K462 | L425-K462 HydrophobicContact CB-CD 4.14Å; L425-K462 HydrophobicContact CD1-CB 4.1Å; L425-K462 HydrophobicContact CD1-CD 3.63Å; L425-K462 HydrophobicContact CD1-CG 3.67Å; L425-K462 HydrophobicContact CG-CD 4.04Å | ||
| 426 | S | 33.6 | Very low | 32 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -71.9 | 144.5 | 162.1 | 58.5 | 0 | 0 | 0 | 0 | 109.7 | K428 | S426-K428 PolarHBondContact O-N 3.09Š| ||
| 427 | P | 29.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -78.2 | 13.3 | -153.7 | -17.9 | 33.3 | 0 | 0 | 0 | 116.6 | ||
| 428 | K | 31.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | trans | -141 | 34.8 | -147.8 | -63.4 | -174.7 | 49.6 | -96.4 | 0 | 115.9 | Y401 L402 S426 | Y401-K428 WeakPolarHBondContact O-CD 3.45Å; Y401-K428 WeakPolarHBondContact O-CE 3.42Å; Y401-K428 PolarHBondContact O-NZ 3.45Å; L402-K428 VanDerWaalsContact CA-CE 3.48Å; S426-K428 PolarHBondContact O-N 3.09Å | ||
| 429 | I | 32.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -116.6 | -14.6 | 178.2 | -66.9 | 176.4 | 0 | 0 | 0 | 112.7 | ||
| 430 | N | 30.6 | Very low | 31.6 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -96.4 | -6 | -175.7 | -81.7 | 11.3 | 0 | 0 | 0 | 116.1 | ||
| 431 | N | 28.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -124.5 | 70.3 | -178.5 | -75.3 | 6.1 | 0 | 0 | 0 | 111.8 | ||
| 432 | D | 25.3 | Very low | 31.3 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -174 | 172.3 | 134 | -125.7 | -44.4 | 0 | 0 | 0 | 113.4 | ||
| 433 | K | 24.4 | Very low | 30.9 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | trans | -53 | 144 | -172.2 | -57.1 | 134.9 | -172.5 | 157.4 | 0 | 116.9 | ||||
| 434 | N | 24.3 | Very low | 30.9 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | 59.8 | 143.7 | 143.3 | -62.5 | -9.7 | 0 | 0 | 0 | 120.6 | ||||
| 435 | H | 25.8 | Very low | 31 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 83% | 0.833 | 65% | 0.649 | S | S | * | * | trans | 59 | 92.7 | 171.8 | -59.5 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 436 | L | 27.8 | Very low | 30.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 66% | 0.658 | S | S | * | * | -168.6 | 127.4 | 116.2 | -102.5 | 159.4 | 0 | 0 | 0 | 110.9 | I438 | L436-I438 PolarHBondContact O-N 2.94Š| |||
| 437 | Q | 29.4 | Very low | 30.7 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 66% | 0.659 | S | S | * | * | trans | -80.3 | 115.7 | 176.7 | -70.4 | 171.7 | -60.6 | 0 | 0 | 110.4 | ||||
| 438 | I | 30.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | trans | -124.8 | 115.5 | 161 | -61.7 | -179.5 | 0 | 0 | 0 | 107.2 | L436 W440 I443 | L436-I438 PolarHBondContact O-N 2.94Å; I438-W440 VanDerWaalsContact C-N 3.29Å; I438-W440 PolarHBondContact O-N 3.47Å; I438-I443 HydrophobicContact CG2-CD1 4.33Å | ||
| 439 | D | 32.2 | Very low | 30.9 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 45% | 0.449 | 66% | 0.662 | S | S | . | * | trans | -70.8 | 80.9 | 179.1 | -90.1 | -46.9 | 0 | 0 | 0 | 111 | N441 K442 I443 | D439-N441 PolarHBondContact O-N 2.96Å; D439-K442 HydrophobicContact CB-CB 3.84Å; D439-K442 HydrophobicContact CB-CD 3.77Å; D439-K442 HydrophobicContact CB-CG 3.81Å; D439-K442 PolarHBondContact O-N 2.98Å; D439-K442 WeakPolarHBondContact OD2-CD 3.45Å; D439-K442 VanDerWaalsContact OD2-CE 3.28Å; D439-K442 WeakPolarHBondContact OD2-CE 3.34Å; D439-K442 IonicContact OD2-NZ 3.51Å; D439-K442 PolarHBondContact OD2-NZ 3.46Å; D439-I443 PolarHBondContact O-N 3.41Å | ||
| 440 | W | 33.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 57% | 0.572 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -50.8 | -37.8 | 167 | -79.1 | 101 | 0 | 0 | 0 | 111.2 | I438 K442 I443 I444 | I438-W440 VanDerWaalsContact C-N 3.29Å; I438-W440 PolarHBondContact O-N 3.47Å; W440-K442 VanDerWaalsContact C-N 3.29Å; W440-K442 PolarHBondContact O-N 2.89Å; W440-I443 PolarHBondContact O-N 3.48Å; W440-I444 HydrophobicContact CB-CD1 4.23Å; W440-I444 WeakPolarHBondContact O-CB 3.46Å; W440-I444 VanDerWaalsContact O-CG1 3.25Å; W440-I444 WeakPolarHBondContact O-CG1 3.32Å; W440-I444 PolarHBondContact O-N 3.03Å |
| 441 | N | 32.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.3 | -32.4 | 175 | -70.3 | -23.2 | 0 | 0 | 0 | 113.8 | D439 Q445 | D439-N441 PolarHBondContact O-N 2.96Å; N441-Q445 WeakPolarHBondContact O-CB 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.21Å; N441-Q445 PolarHBondContact O-N 2.92Å |
| 442 | K | 37 | Very low | 31.4 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.9 | -18.9 | 175.5 | -71.9 | 176.9 | -176.9 | 146.7 | 0 | 113.3 | D439 W440 | D439-K442 HydrophobicContact CB-CB 3.84Å; D439-K442 HydrophobicContact CB-CD 3.77Å; D439-K442 HydrophobicContact CB-CG 3.81Å; D439-K442 PolarHBondContact O-N 2.98Å; D439-K442 WeakPolarHBondContact OD2-CD 3.45Å; D439-K442 VanDerWaalsContact OD2-CE 3.28Å; D439-K442 WeakPolarHBondContact OD2-CE 3.34Å; D439-K442 IonicContact OD2-NZ 3.51Å; D439-K442 PolarHBondContact OD2-NZ 3.46Å; W440-K442 VanDerWaalsContact C-N 3.29Å; W440-K442 PolarHBondContact O-N 2.89Å |
| 443 | I | 32.7 | Very low | 31.7 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 39% | 0.385 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -85.3 | -46.8 | 174.9 | -61 | 172.3 | 0 | 0 | 0 | 109.3 | I438 D439 W440 Q445 K446 L447 | I438-I443 HydrophobicContact CG2-CD1 4.33Å; D439-I443 PolarHBondContact O-N 3.41Å; W440-I443 PolarHBondContact O-N 3.48Å; I443-Q445 VanDerWaalsContact C-N 3.32Å; I443-Q445 PolarHBondContact O-N 3.26Å; I443-K446 PolarHBondContact O-N 2.79Å; I443-L447 HydrophobicContact CG2-CD1 4.45Å; I443-L447 PolarHBondContact O-N 3.34Å |
| 444 | I | 36.7 | Very low | 32.2 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 37% | 0.374 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.6 | -41 | 174.1 | -66 | 164 | 0 | 0 | 0 | 110.6 | W440 K446 L447 | W440-I444 HydrophobicContact CB-CD1 4.23Å; W440-I444 WeakPolarHBondContact O-CB 3.46Å; W440-I444 VanDerWaalsContact O-CG1 3.25Å; W440-I444 WeakPolarHBondContact O-CG1 3.32Å; W440-I444 PolarHBondContact O-N 3.03Å; I444-K446 PolarHBondContact O-N 2.95Å; I444-K446 VanDerWaalsContact O-N 3.11Å; I444-L447 PolarHBondContact O-N 2.82Å |
| 445 | Q | 37.6 | Very low | 32.6 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11.9 | 172.4 | -79.8 | 171.4 | 3.4 | 0 | 0 | 115.3 | N441 I443 | N441-Q445 WeakPolarHBondContact O-CB 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.21Å; N441-Q445 PolarHBondContact O-N 2.92Å; I443-Q445 VanDerWaalsContact C-N 3.32Å; I443-Q445 PolarHBondContact O-N 3.26Å |
| 446 | K | 32.1 | Very low | 32.9 | Very low | 187 Ų | 187 | 122.5 Ų | 122.5 | 81% | 0.813 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -6.2 | 178.2 | -74.7 | -171.9 | 174.5 | -172 | 0 | 114.2 | I443 I444 | I443-K446 PolarHBondContact O-N 2.79Å; I444-K446 PolarHBondContact O-N 2.95Å; I444-K446 VanDerWaalsContact O-N 3.11Å |
| 447 | L | 30.5 | Very low | 33.3 | Very low | 98 Ų | 98 | 123 Ų | 123 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -87.9 | 140.9 | 174.1 | -72.6 | 164.6 | 0 | 0 | 0 | 110 | I443 I444 K449 | I443-L447 HydrophobicContact CG2-CD1 4.45Å; I443-L447 PolarHBondContact O-N 3.34Å; I444-L447 PolarHBondContact O-N 2.82Å; L447-K449 PolarHBondContact O-N 2.86Å |
| 448 | P | 30.1 | Very low | 33.6 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | trans | -66.8 | 133.2 | 174.1 | 27.8 | -33 | 0 | 0 | 0 | 109.9 | N450 I451 | P448-N450 PolarHBondContact O-N 3.19Å; P448-I451 HydrophobicContact CG-CD1 3.83Å; P448-I451 HydrophobicContact CG-CG1 4.33Å; P448-I451 PolarHBondContact O-N 3.1Å | ||
| 449 | K | 34.4 | Very low | 33.7 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -2.8 | -176.5 | -66.3 | -176.6 | 173.5 | -176.3 | 0 | 116.1 | L447 | L447-K449 PolarHBondContact O-N 2.86Š|
| 450 | N | 36.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -2.5 | -177.1 | -60.3 | 1.8 | 0 | 0 | 0 | 113.2 | P448 | P448-N450 PolarHBondContact O-N 3.19Š|
| 451 | I | 33.9 | Very low | 33.7 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 37% | 0.369 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -102.2 | -33 | -172.8 | -60.9 | 178.4 | 0 | 0 | 0 | 113 | P448 S453 I454 L455 | P448-I451 HydrophobicContact CG-CD1 3.83Å; P448-I451 HydrophobicContact CG-CG1 4.33Å; P448-I451 PolarHBondContact O-N 3.1Å; I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.39Å; I451-I454 WeakPolarHBondContact O-CB 3.34Å; I451-I454 PolarHBondContact O-N 3.14Å; I451-L455 HydrophobicContact CG2-CD1 4.33Å |
| 452 | E | 31 | Very low | 34.1 | Very low | 113 Ų | 113 | 111 Ų | 111 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59 | -39.1 | -176.1 | -65.1 | 176.6 | 128.1 | 0 | 0 | 112.3 | I454 L455 | E452-I454 PolarHBondContact O-N 3.17Å; E452-L455 PolarHBondContact O-N 3.46Å |
| 453 | S | 33.1 | Very low | 34.2 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 58% | 0.58 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.4 | -9.8 | 178.2 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | I451 | I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.39Å |
| 454 | I | 34.9 | Very low | 34.7 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 44% | 0.441 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -90.9 | -27.3 | 177 | -55.8 | 177.4 | 0 | 0 | 0 | 110.5 | I451 E452 | I451-I454 WeakPolarHBondContact O-CB 3.34Å; I451-I454 PolarHBondContact O-N 3.14Å; E452-I454 PolarHBondContact O-N 3.17Å |
| 455 | L | 31.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.6 | -30.1 | -171.3 | -69.8 | 167.1 | 0 | 0 | 0 | 113.7 | I451 E452 Y457 | I451-L455 HydrophobicContact CG2-CD1 4.33Å; E452-L455 PolarHBondContact O-N 3.46Å; L455-Y457 PolarHBondContact O-N 3.43Å |
| 456 | E | 33.6 | Very low | 34.9 | Very low | 182 Ų | 182 | 112.7 Ų | 112.7 | 85% | 0.85 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -15.7 | 172.9 | -65.7 | -170.5 | 131 | 0 | 0 | 113.4 | ||
| 457 | Y | 35.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 109.6 Ų | 109.6 | 65% | 0.647 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -4.9 | -168.1 | -139.7 | -88.1 | 0 | 0 | 0 | 115 | L455 | L455-Y457 PolarHBondContact O-N 3.43Š|
| 458 | F | 35.1 | Very low | 36.4 | Very low | 105 Ų | 105 | 108 Ų | 108 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | trans | -129.6 | 54.2 | -171.1 | -69.2 | -81.7 | 0 | 0 | 0 | 113.6 | S460 K504 | F458-S460 PolarHBondContact O-N 3.46Å; F458-K504 HydrophobicContact CE1-CG 4.34Å | ||
| 459 | G | 32.2 | Very low | 37.7 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 84% | 0.835 | 56% | 0.556 | S | S | * | * | trans | -71 | 90.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 460 | S | 33.7 | Very low | 39 | Very low | 64 Ų | 64 | 106.5 Ų | 106.5 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -167.4 | 161 | 159.6 | 10.3 | 0 | 0 | 0 | 0 | 109.3 | F458 Q465 | F458-S460 PolarHBondContact O-N 3.46Å; S460-Q465 PolarHBondContact O-NE2 2.95Å |
| 461 | T | 33 | Very low | 40.7 | Very low | 79 Ų | 79 | 104.9 Ų | 104.9 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | trans | -70.7 | 160.4 | -163.3 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | Q463 D464 Q465 | T461-Q463 PolarHBondContact O-N 3.05Å; T461-D464 VanDerWaalsContact CB-OD2 3.26Å; T461-D464 WeakPolarHBondContact CB-OD2 3.28Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.21Å; T461-D464 PolarHBondContact N-OD2 3.42Å; T461-D464 CarbonylContact O-C 3.29Å; T461-D464 WeakPolarHBondContact O-CA 3.33Å; T461-D464 WeakPolarHBondContact O-CB 3.41Å; T461-D464 PolarHBondContact O-N 2.83Å; T461-D464 VanDerWaalsContact O-N 3.09Å; T461-D464 PolarHBondContact OG1-N 3.29Å; T461-D464 PolarHBondContact OG1-OD2 3.03Å; T461-Q465 VanDerWaalsContact O-CG 3.27Å; T461-Q465 WeakPolarHBondContact O-CG 3.43Å; T461-Q465 PolarHBondContact O-N 3.16Å | ||
| 462 | K | 41.3 | Very low | 42.3 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 24% | 0.243 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.8 | -24.4 | 177.2 | -80.9 | -175.4 | -161.4 | 164.9 | 0 | 114.1 | L421 L425 Q465 F466 | L421-K462 HydrophobicContact CD2-CD 4.2Å; L421-K462 HydrophobicContact CG-CD 4.14Å; L421-K462 PolarHBondContact O-NZ 3.37Å; L425-K462 HydrophobicContact CB-CD 4.14Å; L425-K462 HydrophobicContact CD1-CB 4.1Å; L425-K462 HydrophobicContact CD1-CD 3.63Å; L425-K462 HydrophobicContact CD1-CG 3.67Å; L425-K462 HydrophobicContact CG-CD 4.04Å; K462-Q465 PolarHBondContact O-N 2.98Å; K462-F466 PolarHBondContact O-N 2.8Å |
| 463 | Q | 39.1 | Very low | 44.5 | Very low | 169 Ų | 169 | 100.3 Ų | 100.3 | 79% | 0.79 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.3 | -40.1 | 172.8 | -73.7 | 179.3 | -32.1 | 0 | 0 | 110.9 | T461 Q465 F466 M467 | T461-Q463 PolarHBondContact O-N 3.05Å; Q463-Q465 PolarHBondContact O-N 2.78Å; Q463-F466 PolarHBondContact O-N 3.48Å; Q463-M467 PolarHBondContact O-N 3.42Å |
| 464 | D | 43.5 | Very low | 46.7 | Very low | 70 Ų | 70 | 100.3 Ų | 100.3 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -37.4 | 166.6 | -53.8 | -49.2 | 0 | 0 | 0 | 110.8 | T461 F466 M467 N468 | T461-D464 VanDerWaalsContact CB-OD2 3.26Å; T461-D464 WeakPolarHBondContact CB-OD2 3.28Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.21Å; T461-D464 PolarHBondContact N-OD2 3.42Å; T461-D464 CarbonylContact O-C 3.29Å; T461-D464 WeakPolarHBondContact O-CA 3.33Å; T461-D464 WeakPolarHBondContact O-CB 3.41Å; T461-D464 PolarHBondContact O-N 2.83Å; T461-D464 VanDerWaalsContact O-N 3.09Å; T461-D464 PolarHBondContact OG1-N 3.29Å; T461-D464 PolarHBondContact OG1-OD2 3.03Å; D464-F466 PolarHBondContact O-N 3Å; D464-M467 CarbonylContact O-C 3.55Å; D464-M467 PolarHBondContact O-N 3.13Å; D464-N468 WeakPolarHBondContact O-CA 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.41Å; D464-N468 PolarHBondContact O-N 3.06Å; D464-N468 PolarHBondContact O-ND2 3.21Å; D464-N468 VanDerWaalsContact O-ND2 3.16Å |
| 465 | Q | 40.9 | Very low | 48.9 | Very low | 72 Ų | 72 | 98.9 Ų | 98.9 | 34% | 0.336 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | -177.1 | -72.3 | 165.7 | 20.9 | 0 | 0 | 113 | S460 T461 K462 Q463 N468 I469 | S460-Q465 PolarHBondContact O-NE2 2.95Å; T461-Q465 VanDerWaalsContact O-CG 3.27Å; T461-Q465 WeakPolarHBondContact O-CG 3.43Å; T461-Q465 PolarHBondContact O-N 3.16Å; K462-Q465 PolarHBondContact O-N 2.98Å; Q463-Q465 PolarHBondContact O-N 2.78Å; Q465-N468 PolarHBondContact O-N 3.49Å; Q465-I469 VanDerWaalsContact O-CG1 3.32Å; Q465-I469 WeakPolarHBondContact O-CG1 3.1Å; Q465-I469 PolarHBondContact O-N 2.94Å |
| 466 | F | 37.6 | Very low | 51.2 | Low | 160 Ų | 160 | 93.2 Ų | 93.2 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.7 | -35.7 | 175.4 | -116.9 | -81.9 | 0 | 0 | 0 | 112.7 | K462 Q463 D464 K470 | K462-F466 PolarHBondContact O-N 2.8Å; Q463-F466 PolarHBondContact O-N 3.48Å; D464-F466 PolarHBondContact O-N 3Å; F466-K470 PolarHBondContact O-N 3.27Å |
| 467 | M | 40.1 | Very low | 53.6 | Low | 122 Ų | 122 | 89.7 Ų | 89.7 | 60% | 0.601 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 169.6 | -76.4 | -70.6 | -78.4 | 0 | 0 | 111.4 | Q463 D464 K470 L471 | Q463-M467 PolarHBondContact O-N 3.42Å; D464-M467 CarbonylContact O-C 3.55Å; D464-M467 PolarHBondContact O-N 3.13Å; M467-K470 CarbonylContact O-C 3.59Å; M467-K470 PolarHBondContact O-N 3Å; M467-L471 WeakPolarHBondContact O-CB 2.87Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 2.99Å |
| 468 | N | 53.9 | Low | 55.8 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 34% | 0.342 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 179.2 | -77.5 | -28.1 | 0 | 0 | 0 | 111.8 | D464 Q465 L471 V472 | D464-N468 WeakPolarHBondContact O-CA 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.41Å; D464-N468 PolarHBondContact O-N 3.06Å; D464-N468 PolarHBondContact O-ND2 3.21Å; D464-N468 VanDerWaalsContact O-ND2 3.16Å; Q465-N468 PolarHBondContact O-N 3.49Å; N468-L471 PolarHBondContact O-N 3.33Å; N468-V472 WeakPolarHBondContact O-CB 3.25Å; N468-V472 WeakPolarHBondContact O-CG2 3.14Å; N468-V472 PolarHBondContact O-N 3.24Å |
| 469 | I | 55.7 | Low | 58.1 | Low | 89 Ų | 89 | 81.2 Ų | 81.2 | 46% | 0.456 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 171.9 | -71.3 | 165.3 | 0 | 0 | 0 | 110.1 | Q465 V472 I473 | Q465-I469 VanDerWaalsContact O-CG1 3.32Å; Q465-I469 WeakPolarHBondContact O-CG1 3.1Å; Q465-I469 PolarHBondContact O-N 2.94Å; I469-V472 PolarHBondContact O-N 2.95Å; I469-I473 HydrophobicContact CG2-CD1 3.88Å; I469-I473 WeakPolarHBondContact O-CB 3.37Å; I469-I473 WeakPolarHBondContact O-CD1 3.36Å; I469-I473 VanDerWaalsContact O-CG1 3.22Å; I469-I473 WeakPolarHBondContact O-CG1 3.32Å; I469-I473 PolarHBondContact O-N 3.43Å |
| 470 | K | 62.7 | Low | 60.6 | Low | 142 Ų | 142 | 79.1 Ų | 79.1 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 171.9 | -81.5 | -169.2 | 172 | -174.9 | 0 | 112.8 | F466 M467 V472 I473 N474 | F466-K470 PolarHBondContact O-N 3.27Å; M467-K470 CarbonylContact O-C 3.59Å; M467-K470 PolarHBondContact O-N 3Å; K470-V472 VanDerWaalsContact C-N 3.34Å; K470-V472 PolarHBondContact O-N 3.33Å; K470-I473 PolarHBondContact O-N 3.28Å; K470-N474 WeakPolarHBondContact O-CB 3.21Å; K470-N474 VanDerWaalsContact O-CG 3.29Å; K470-N474 PolarHBondContact O-N 3.11Å; K470-N474 PolarHBondContact O-OD1 2.99Å; K470-N474 VanDerWaalsContact O-OD1 3.13Å |
| 471 | L | 71.5 | Confident | 62.8 | Low | 95 Ų | 95 | 80 Ų | 80 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 178 | -72.3 | 165.5 | 0 | 0 | 0 | 111.9 | M467 N468 N474 E475 | M467-L471 WeakPolarHBondContact O-CB 2.87Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 2.99Å; N468-L471 PolarHBondContact O-N 3.33Å; L471-N474 CarbonylContact O-C 3.29Å; L471-N474 PolarHBondContact O-N 3.45Å; L471-E475 VanDerWaalsContact O-CB 3.26Å; L471-E475 WeakPolarHBondContact O-CB 2.9Å; L471-E475 PolarHBondContact O-N 2.8Å |
| 472 | V | 69.5 | Low | 65 | Low | 22 Ų | 22 | 79.9 Ų | 79.9 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74.5 | -33.2 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | N468 I469 K470 E475 I476 L501 I505 | N468-V472 WeakPolarHBondContact O-CB 3.25Å; N468-V472 WeakPolarHBondContact O-CG2 3.14Å; N468-V472 PolarHBondContact O-N 3.24Å; I469-V472 PolarHBondContact O-N 2.95Å; K470-V472 VanDerWaalsContact C-N 3.34Å; K470-V472 PolarHBondContact O-N 3.33Å; V472-E475 PolarHBondContact O-N 2.97Å; V472-I476 HydrophobicContact CG1-CD1 4.03Å; V472-I476 WeakPolarHBondContact O-CB 3.47Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.41Å; V472-I476 PolarHBondContact O-N 3.26Å; V472-L501 HydrophobicContact CG1-CB 4.06Å; V472-L501 HydrophobicContact CG1-CD2 4.04Å; V472-L501 HydrophobicContact CG1-CG 4.44Å; V472-L501 HydrophobicContact CG2-CD2 4.42Å; V472-I505 HydrophobicContact CG1-CD1 4.09Å; V472-I505 HydrophobicContact CG1-CG1 4.02Å |
| 473 | I | 76.9 | Confident | 66.9 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 169 | -71.6 | 165.9 | 0 | 0 | 0 | 109.8 | I469 K470 E475 I476 E477 I505 | I469-I473 HydrophobicContact CG2-CD1 3.88Å; I469-I473 WeakPolarHBondContact O-CB 3.37Å; I469-I473 WeakPolarHBondContact O-CD1 3.36Å; I469-I473 VanDerWaalsContact O-CG1 3.22Å; I469-I473 WeakPolarHBondContact O-CG1 3.32Å; I469-I473 PolarHBondContact O-N 3.43Å; K470-I473 PolarHBondContact O-N 3.28Å; I473-E475 VanDerWaalsContact C-N 3.28Å; I473-E475 PolarHBondContact O-N 2.67Å; I473-I476 PolarHBondContact O-N 3.47Å; I473-I476 VanDerWaalsContact O-N 3.14Å; I473-E477 WeakPolarHBondContact O-CG 3.47Å; I473-E477 PolarHBondContact O-N 3.21Å; I473-I505 HydrophobicContact CG1-CD1 3.71Å |
| 474 | N | 78.5 | Confident | 68.8 | Low | 83 Ų | 83 | 76.5 Ų | 76.5 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 173.7 | -69.8 | 18.2 | 0 | 0 | 0 | 112.1 | K470 L471 E477 N478 | K470-N474 WeakPolarHBondContact O-CB 3.21Å; K470-N474 VanDerWaalsContact O-CG 3.29Å; K470-N474 PolarHBondContact O-N 3.11Å; K470-N474 PolarHBondContact O-OD1 2.99Å; K470-N474 VanDerWaalsContact O-OD1 3.13Å; L471-N474 CarbonylContact O-C 3.29Å; L471-N474 PolarHBondContact O-N 3.45Å; N474-E477 PolarHBondContact O-N 2.92Å; N474-N478 VanDerWaalsContact O-CB 3.26Å; N474-N478 WeakPolarHBondContact O-CB 3.31Å; N474-N478 PolarHBondContact O-N 2.89Å; N474-N478 PolarHBondContact O-ND2 3.26Å |
| 475 | E | 80.2 | Confident | 70.1 | Confident | 56 Ų | 56 | 81.3 Ų | 81.3 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 175.8 | -167 | -175.2 | 179.1 | 0 | 0 | 111.3 | L471 V472 I473 L479 R497 L501 | L471-E475 VanDerWaalsContact O-CB 3.26Å; L471-E475 WeakPolarHBondContact O-CB 2.9Å; L471-E475 PolarHBondContact O-N 2.8Å; V472-E475 PolarHBondContact O-N 2.97Å; I473-E475 VanDerWaalsContact C-N 3.28Å; I473-E475 PolarHBondContact O-N 2.67Å; E475-L479 HydrophobicContact CG-CD1 4.06Å; E475-L479 VanDerWaalsContact O-CB 3.24Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.23Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 3.4Å; E475-R497 IonicContact OE1-CZ 3.48Å; E475-R497 VanDerWaalsContact OE1-CZ 3.25Å; E475-R497 IonicContact OE1-NE 3.59Å; E475-R497 PolarHBondContact OE1-NE 3.02Å; E475-R497 IonicContact OE1-NH2 2.74Å; E475-R497 PolarHBondContact OE1-NH2 3Å; E475-L501 HydrophobicContact CB-CD1 4.08Å; E475-L501 HydrophobicContact CG-CD1 3.72Å |
| 476 | I | 81.9 | Confident | 70.9 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 172.7 | -73.3 | 165.4 | 0 | 0 | 0 | 111.4 | V472 I473 T480 R498 L501 Y502 I505 | V472-I476 HydrophobicContact CG1-CD1 4.03Å; V472-I476 WeakPolarHBondContact O-CB 3.47Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.41Å; V472-I476 PolarHBondContact O-N 3.26Å; I473-I476 PolarHBondContact O-N 3.47Å; I473-I476 VanDerWaalsContact O-N 3.14Å; I476-T480 WeakPolarHBondContact O-CB 3.47Å; I476-T480 PolarHBondContact O-N 3.28Å; I476-T480 PolarHBondContact O-OG1 2.93Å; I476-R498 HydrophobicContact CG1-CG 4.42Å; I476-R498 HydrophobicContact CG2-CG 4.28Å; I476-L501 HydrophobicContact CD1-CB 3.78Å; I476-L501 HydrophobicContact CG1-CB 3.65Å; I476-L501 HydrophobicContact CG1-CD1 3.89Å; I476-L501 HydrophobicContact CG1-CG 4.45Å; I476-Y502 HydrophobicContact CD1-CD1 3.96Å; I476-Y502 HydrophobicContact CD1-CE1 4.19Å; I476-Y502 HydrophobicContact CG2-CE1 3.71Å; I476-I505 HydrophobicContact CD1-CD1 3.45Å; I476-I505 VanDerWaalsContact CD1-CD1 3.45Å; I476-I505 HydrophobicContact CD1-CG1 4.18Å |
| 477 | E | 83.2 | Confident | 71.8 | Confident | 108 Ų | 108 | 78.9 Ų | 78.9 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.9 | -74.6 | 177.8 | -168.3 | 0 | 0 | 110.9 | I473 N474 T480 Q481 | I473-E477 WeakPolarHBondContact O-CG 3.47Å; I473-E477 PolarHBondContact O-N 3.21Å; N474-E477 PolarHBondContact O-N 2.92Å; E477-T480 PolarHBondContact O-N 3.06Å; E477-Q481 WeakPolarHBondContact O-CG 3.42Å; E477-Q481 PolarHBondContact O-N 3.49Å |
| 478 | N | 82.2 | Confident | 72.4 | Confident | 91 Ų | 91 | 77.9 Ų | 77.9 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 173.2 | -73.5 | -21.1 | 0 | 0 | 0 | 111.4 | N474 T480 Q481 E482 | N474-N478 VanDerWaalsContact O-CB 3.26Å; N474-N478 WeakPolarHBondContact O-CB 3.31Å; N474-N478 PolarHBondContact O-N 2.89Å; N474-N478 PolarHBondContact O-ND2 3.26Å; N478-T480 VanDerWaalsContact C-N 3.25Å; N478-T480 PolarHBondContact O-N 3.11Å; N478-Q481 CarbonylContact O-C 3.56Å; N478-Q481 WeakPolarHBondContact O-CA 3.41Å; N478-Q481 WeakPolarHBondContact O-CB 3.27Å; N478-Q481 PolarHBondContact O-N 3.31Å; N478-Q481 VanDerWaalsContact O-N 3.11Å; N478-E482 WeakPolarHBondContact O-CG 3.41Å; N478-E482 PolarHBondContact O-N 2.92Å |
| 479 | L | 82.6 | Confident | 72.9 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 176 | -77.4 | 163.7 | 0 | 0 | 0 | 112.3 | E475 E482 I483 R497 L501 | E475-L479 HydrophobicContact CG-CD1 4.06Å; E475-L479 VanDerWaalsContact O-CB 3.24Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.23Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 3.4Å; L479-E482 PolarHBondContact O-N 2.86Å; L479-I483 VanDerWaalsContact O-CB 3.25Å; L479-I483 WeakPolarHBondContact O-CB 3.43Å; L479-I483 WeakPolarHBondContact O-CD1 3.33Å; L479-I483 WeakPolarHBondContact O-CG1 3.47Å; L479-I483 PolarHBondContact O-N 2.75Å; L479-R497 HydrophobicContact CD1-CB 4.4Å; L479-R497 HydrophobicContact CD1-CG 3.77Å; L479-R497 HydrophobicContact CD2-CG 4.46Å; L479-L501 HydrophobicContact CD1-CD1 3.54Å |
| 480 | T | 84.4 | Confident | 73.7 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -73.5 | -34.1 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | I476 E477 N478 N484 R498 | I476-T480 WeakPolarHBondContact O-CB 3.47Å; I476-T480 PolarHBondContact O-N 3.28Å; I476-T480 PolarHBondContact O-OG1 2.93Å; E477-T480 PolarHBondContact O-N 3.06Å; N478-T480 VanDerWaalsContact C-N 3.25Å; N478-T480 PolarHBondContact O-N 3.11Å; T480-N484 VanDerWaalsContact O-CB 3.22Å; T480-N484 WeakPolarHBondContact O-CB 3.12Å; T480-N484 PolarHBondContact O-N 3.23Å; T480-N484 PolarHBondContact O-ND2 2.93Å; T480-N484 PolarHBondContact O-OD1 3.44Å; T480-R498 VanDerWaalsContact OG1-CD 3.31Å; T480-R498 WeakPolarHBondContact OG1-CD 3.23Å; T480-R498 PolarHBondContact OG1-NH1 2.92Å |
| 481 | Q | 80.4 | Confident | 74.7 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 167.5 | -69 | -178.4 | 42.5 | 0 | 0 | 112.1 | E477 N478 N484 R485 | E477-Q481 WeakPolarHBondContact O-CG 3.42Å; E477-Q481 PolarHBondContact O-N 3.49Å; N478-Q481 CarbonylContact O-C 3.56Å; N478-Q481 WeakPolarHBondContact O-CA 3.41Å; N478-Q481 WeakPolarHBondContact O-CB 3.27Å; N478-Q481 PolarHBondContact O-N 3.31Å; N478-Q481 VanDerWaalsContact O-N 3.11Å; Q481-N484 PolarHBondContact O-N 2.93Å; Q481-R485 WeakPolarHBondContact O-CB 3.38Å; Q481-R485 WeakPolarHBondContact O-CG 3.41Å; Q481-R485 PolarHBondContact O-N 3.31Å |
| 482 | E | 79.5 | Confident | 75.2 | Confident | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 176.3 | -72.3 | 178 | 165.3 | 0 | 0 | 111.5 | N478 L479 N484 R485 N486 | N478-E482 WeakPolarHBondContact O-CG 3.41Å; N478-E482 PolarHBondContact O-N 2.92Å; L479-E482 PolarHBondContact O-N 2.86Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.43Å; E482-R485 PolarHBondContact O-N 2.92Å; E482-N486 VanDerWaalsContact O-CB 3.26Å; E482-N486 WeakPolarHBondContact O-CB 3.44Å; E482-N486 PolarHBondContact O-N 2.88Å |
| 483 | I | 81.7 | Confident | 75.9 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 174.9 | -72.7 | 164.1 | 0 | 0 | 0 | 111.5 | L479 L491 D494 L495 R498 | L479-I483 VanDerWaalsContact O-CB 3.25Å; L479-I483 WeakPolarHBondContact O-CB 3.43Å; L479-I483 WeakPolarHBondContact O-CD1 3.33Å; L479-I483 WeakPolarHBondContact O-CG1 3.47Å; L479-I483 PolarHBondContact O-N 2.75Å; I483-L491 HydrophobicContact CG1-CD1 4.36Å; I483-L491 HydrophobicContact CG2-CD1 3.93Å; I483-D494 HydrophobicContact CD1-CB 4.38Å; I483-D494 HydrophobicContact CG1-CB 4.01Å; I483-L495 HydrophobicContact CD1-CD2 4.1Å; I483-L495 HydrophobicContact CD1-CG 4.44Å; I483-R498 HydrophobicContact CD1-CB 4.26Å |
| 484 | N | 79 | Confident | 76.4 | Confident | 127 Ų | 127 | 76.3 Ų | 76.3 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78.4 | -15.4 | 176.4 | -69.4 | -7.5 | 0 | 0 | 0 | 113.7 | T480 Q481 E482 | T480-N484 VanDerWaalsContact O-CB 3.22Å; T480-N484 WeakPolarHBondContact O-CB 3.12Å; T480-N484 PolarHBondContact O-N 3.23Å; T480-N484 PolarHBondContact O-ND2 2.93Å; T480-N484 PolarHBondContact O-OD1 3.44Å; Q481-N484 PolarHBondContact O-N 2.93Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.43Å |
| 485 | R | 69.7 | Low | 76.9 | Confident | 171 Ų | 171 | 72.5 Ų | 72.5 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -98.3 | -36.6 | 176.8 | -74.4 | 171.7 | -174.6 | 144.8 | 10.8 | 113.1 | Q481 E482 S487 | Q481-R485 WeakPolarHBondContact O-CB 3.38Å; Q481-R485 WeakPolarHBondContact O-CG 3.41Å; Q481-R485 PolarHBondContact O-N 3.31Å; E482-R485 PolarHBondContact O-N 2.92Å; R485-S487 PolarHBondContact O-N 3.27Å |
| 486 | N | 58.8 | Low | 77.3 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -93.3 | 85.4 | -166.1 | -68.2 | -18.4 | 0 | 0 | 0 | 112.7 | E482 S488 | E482-N486 VanDerWaalsContact O-CB 3.26Å; E482-N486 WeakPolarHBondContact O-CB 3.44Å; E482-N486 PolarHBondContact O-N 2.88Å; N486-S488 PolarHBondContact O-N 2.69Å | ||
| 487 | S | 55.4 | Low | 77.4 | Confident | 106 Ų | 106 | 74.3 Ų | 74.3 | 74% | 0.741 | 38% | 0.375 | S | S | * | . | trans | -65.7 | 122.9 | 163 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | R485 | R485-S487 PolarHBondContact O-N 3.27Š| ||
| 488 | S | 53.3 | Low | 77.7 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 52.6 | 90.4 | 167.6 | 53 | 0 | 0 | 0 | 0 | 118 | N486 | N486-S488 PolarHBondContact O-N 2.69Š|
| 489 | T | 63.1 | Low | 78 | Confident | 140 Ų | 140 | 66.2 Ų | 66.2 | 86% | 0.859 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -178.4 | -42.9 | 136.7 | 21 | 0 | 0 | 0 | 0 | 111.1 | ||
| 490 | R | 73.6 | Confident | 78.2 | Confident | 160 Ų | 160 | 67.1 Ų | 67.1 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -102.7 | -4.7 | -173 | -155.9 | -179.1 | -160.5 | 156.5 | 6.2 | 115 | G492 F493 D494 | R490-G492 VanDerWaalsContact C-N 3.31Å; R490-G492 PolarHBondContact O-N 3.14Å; R490-G492 VanDerWaalsContact O-N 3.1Å; R490-F493 HydrophobicContact CG-CB 4.4Å; R490-F493 WeakPolarHBondContact O-CB 3.36Å; R490-F493 PolarHBondContact O-N 2.63Å; R490-D494 VanDerWaalsContact CB-OD2 3.31Å; R490-D494 WeakPolarHBondContact CB-OD2 2.81Å; R490-D494 WeakPolarHBondContact CD-OD1 3.31Å; R490-D494 WeakPolarHBondContact CG-OD2 3.2Å; R490-D494 IonicContact NE-OD1 3.89Å; R490-D494 PolarHBondContact O-N 3.41Å |
| 491 | L | 82.8 | Confident | 78.2 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -52 | -37.7 | -169.9 | -175.8 | 64 | 0 | 0 | 0 | 115.1 | I483 L495 L521 | I483-L491 HydrophobicContact CG1-CD1 4.36Å; I483-L491 HydrophobicContact CG2-CD1 3.93Å; L491-L495 HydrophobicContact CD1-CD1 4.09Å; L491-L495 HydrophobicContact CD1-CG 4.23Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 WeakPolarHBondContact O-CD1 3.25Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.47Å; L491-L495 PolarHBondContact O-N 3.05Å; L491-L521 HydrophobicContact CB-CD1 4.37Å; L491-L521 HydrophobicContact CD2-CD1 3.93Å; L491-L521 HydrophobicContact CG-CD1 3.85Å |
| 492 | G | 83 | Confident | 78.6 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R490 C496 S518 E522 | R490-G492 VanDerWaalsContact C-N 3.31Å; R490-G492 PolarHBondContact O-N 3.14Å; R490-G492 VanDerWaalsContact O-N 3.1Å; G492-C496 PolarHBondContact O-N 3.33Å; G492-S518 WeakPolarHBondContact O-CB 3.46Å; G492-S518 PolarHBondContact O-OG 2.73Å; G492-E522 VanDerWaalsContact CA-OE2 3.23Å; G492-E522 WeakPolarHBondContact CA-OE2 3.28Å |
| 493 | F | 84.6 | Confident | 78.8 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 174.5 | -175.7 | -89.1 | 0 | 0 | 0 | 112.2 | R490 L495 C496 R497 E522 | R490-F493 HydrophobicContact CG-CB 4.4Å; R490-F493 WeakPolarHBondContact O-CB 3.36Å; R490-F493 PolarHBondContact O-N 2.63Å; F493-L495 PolarHBondContact O-N 3.06Å; F493-C496 WeakPolarHBondContact O-CB 3.48Å; F493-C496 PolarHBondContact O-N 3.47Å; F493-C496 VanDerWaalsContact O-N 3.12Å; F493-R497 PolarHBondContact O-N 2.95Å; F493-E522 PolarHBondContact N-OE2 3.45Å |
| 494 | D | 86.1 | Confident | 78.7 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -37 | -178.3 | -60.1 | -29.6 | 0 | 0 | 0 | 111.3 | I483 R490 R497 R498 | I483-D494 HydrophobicContact CD1-CB 4.38Å; I483-D494 HydrophobicContact CG1-CB 4.01Å; R490-D494 VanDerWaalsContact CB-OD2 3.31Å; R490-D494 WeakPolarHBondContact CB-OD2 2.81Å; R490-D494 WeakPolarHBondContact CD-OD1 3.31Å; R490-D494 WeakPolarHBondContact CG-OD2 3.2Å; R490-D494 IonicContact NE-OD1 3.89Å; R490-D494 PolarHBondContact O-N 3.41Å; D494-R497 PolarHBondContact O-N 3.1Å; D494-R498 PolarHBondContact O-N 3.18Å |
| 495 | L | 88.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 168.3 | -73.2 | 167.2 | 0 | 0 | 0 | 112.4 | I483 L491 F493 R497 R498 G499 D514 R517 L521 | I483-L495 HydrophobicContact CD1-CD2 4.1Å; I483-L495 HydrophobicContact CD1-CG 4.44Å; L491-L495 HydrophobicContact CD1-CD1 4.09Å; L491-L495 HydrophobicContact CD1-CG 4.23Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 WeakPolarHBondContact O-CD1 3.25Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.47Å; L491-L495 PolarHBondContact O-N 3.05Å; F493-L495 PolarHBondContact O-N 3.06Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.91Å; L495-R498 PolarHBondContact O-N 3.4Å; L495-G499 PolarHBondContact O-N 2.91Å; L495-D514 HydrophobicContact CD2-CB 4.41Å; L495-D514 VanDerWaalsContact CD2-OD1 3.29Å; L495-D514 WeakPolarHBondContact CD2-OD1 3.45Å; L495-R517 HydrophobicContact CD1-CB 4.23Å; L495-R517 HydrophobicContact CD1-CG 3.85Å; L495-L521 HydrophobicContact CD1-CD1 3.74Å |
| 496 | C | 88.7 | Confident | 78.8 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.6 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | G492 F493 A500 S518 L525 S527 A528 | G492-C496 PolarHBondContact O-N 3.33Å; F493-C496 WeakPolarHBondContact O-CB 3.48Å; F493-C496 PolarHBondContact O-N 3.47Å; F493-C496 VanDerWaalsContact O-N 3.12Å; C496-A500 WeakPolarHBondContact O-CB 3.46Å; C496-A500 PolarHBondContact O-N 3.36Å; C496-S518 WeakPolarHBondContact CB-OG 3.38Å; C496-L525 HydrophobicContact CB-CD2 3.51Å; C496-S527 PolarHBondContact SG-OG 3.27Å; C496-A528 HydrophobicContact CB-CB 4.5Å |
| 497 | R | 85.8 | Confident | 80 | Confident | 103 Ų | 103 | 61 Ų | 61 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -51.5 | 176.9 | -173 | 177.2 | 171.5 | -166.5 | 1.3 | 110.8 | E475 L479 F493 D494 L495 G499 A500 L501 | E475-R497 IonicContact OE1-CZ 3.48Å; E475-R497 VanDerWaalsContact OE1-CZ 3.25Å; E475-R497 IonicContact OE1-NE 3.59Å; E475-R497 PolarHBondContact OE1-NE 3.02Å; E475-R497 IonicContact OE1-NH2 2.74Å; E475-R497 PolarHBondContact OE1-NH2 3Å; L479-R497 HydrophobicContact CD1-CB 4.4Å; L479-R497 HydrophobicContact CD1-CG 3.77Å; L479-R497 HydrophobicContact CD2-CG 4.46Å; F493-R497 PolarHBondContact O-N 2.95Å; D494-R497 PolarHBondContact O-N 3.1Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.91Å; R497-G499 PolarHBondContact O-N 3.4Å; R497-A500 PolarHBondContact O-N 2.88Å; R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.44Å |
| 498 | R | 88.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 178.6 | -164.5 | 179.4 | 65.8 | -179.7 | -2.3 | 112 | I476 T480 I483 D494 L495 A500 L501 Y502 D514 | I476-R498 HydrophobicContact CG1-CG 4.42Å; I476-R498 HydrophobicContact CG2-CG 4.28Å; T480-R498 VanDerWaalsContact OG1-CD 3.31Å; T480-R498 WeakPolarHBondContact OG1-CD 3.23Å; T480-R498 PolarHBondContact OG1-NH1 2.92Å; I483-R498 HydrophobicContact CD1-CB 4.26Å; D494-R498 PolarHBondContact O-N 3.18Å; L495-R498 PolarHBondContact O-N 3.4Å; R498-A500 PolarHBondContact O-N 2.76Å; R498-L501 PolarHBondContact O-N 3.4Å; R498-L501 VanDerWaalsContact O-N 3.14Å; R498-Y502 HydrophobicContact CG-CD2 4.09Å; R498-Y502 HydrophobicContact CG-CE2 3.69Å; R498-Y502 WeakPolarHBondContact O-CD2 3.28Å; R498-Y502 PolarHBondContact O-N 2.85Å; R498-D514 IonicContact CZ-OD1 3.71Å; R498-D514 IonicContact CZ-OD2 3.41Å; R498-D514 IonicContact NE-OD1 3.8Å; R498-D514 IonicContact NE-OD2 2.73Å; R498-D514 PolarHBondContact NE-OD2 3.07Å; R498-D514 IonicContact NH2-OD1 2.77Å; R498-D514 PolarHBondContact NH2-OD1 3.41Å; R498-D514 IonicContact NH2-OD2 3.24Å; R498-D514 PolarHBondContact NH2-OD2 3.1Å |
| 499 | G | 88.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L495 R497 Y502 R503 A511 | L495-G499 PolarHBondContact O-N 2.91Å; R497-G499 PolarHBondContact O-N 3.4Å; G499-Y502 PolarHBondContact O-N 3.49Å; G499-R503 PolarHBondContact O-N 3.35Å; G499-A511 VanDerWaalsContact O-CB 3.28Å; G499-A511 WeakPolarHBondContact O-CB 3.48Å |
| 500 | A | 86 | Confident | 83.9 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C496 R497 R498 R503 K504 | C496-A500 WeakPolarHBondContact O-CB 3.46Å; C496-A500 PolarHBondContact O-N 3.36Å; R497-A500 PolarHBondContact O-N 2.88Å; R498-A500 PolarHBondContact O-N 2.76Å; A500-R503 PolarHBondContact O-N 3.08Å; A500-K504 PolarHBondContact O-N 2.8Å; A500-K504 VanDerWaalsContact O-N 3.12Å |
| 501 | L | 85.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.4 | -40 | 173.4 | -62.8 | 178.1 | 0 | 0 | 0 | 112 | V472 E475 I476 L479 R497 R498 R503 K504 I505 | V472-L501 HydrophobicContact CG1-CB 4.06Å; V472-L501 HydrophobicContact CG1-CD2 4.04Å; V472-L501 HydrophobicContact CG1-CG 4.44Å; V472-L501 HydrophobicContact CG2-CD2 4.42Å; E475-L501 HydrophobicContact CB-CD1 4.08Å; E475-L501 HydrophobicContact CG-CD1 3.72Å; I476-L501 HydrophobicContact CD1-CB 3.78Å; I476-L501 HydrophobicContact CG1-CB 3.65Å; I476-L501 HydrophobicContact CG1-CD1 3.89Å; I476-L501 HydrophobicContact CG1-CG 4.45Å; L479-L501 HydrophobicContact CD1-CD1 3.54Å; R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.44Å; R498-L501 PolarHBondContact O-N 3.4Å; R498-L501 VanDerWaalsContact O-N 3.14Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.99Å; L501-K504 HydrophobicContact CD2-CD 4.24Å; L501-K504 CarbonylContact O-C 3.55Å; L501-K504 WeakPolarHBondContact O-CA 3.15Å; L501-K504 WeakPolarHBondContact O-CB 3.37Å; L501-K504 PolarHBondContact O-N 3.09Å; L501-I505 PolarHBondContact O-N 3.24Å |
| 502 | Y | 87.9 | Confident | 85 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -39.1 | 170.2 | -74.6 | -41.6 | 0 | 0 | 0 | 111.8 | I476 R498 G499 K504 I505 G506 R507 D510 D514 | I476-Y502 HydrophobicContact CD1-CD1 3.96Å; I476-Y502 HydrophobicContact CD1-CE1 4.19Å; I476-Y502 HydrophobicContact CG2-CE1 3.71Å; R498-Y502 HydrophobicContact CG-CD2 4.09Å; R498-Y502 HydrophobicContact CG-CE2 3.69Å; R498-Y502 WeakPolarHBondContact O-CD2 3.28Å; R498-Y502 PolarHBondContact O-N 2.85Å; G499-Y502 PolarHBondContact O-N 3.49Å; Y502-K504 VanDerWaalsContact C-N 3.31Å; Y502-K504 PolarHBondContact O-N 2.66Å; Y502-I505 PolarHBondContact O-N 2.96Å; Y502-G506 PolarHBondContact O-N 2.74Å; Y502-R507 HydrophobicContact CD1-CB 4.22Å; Y502-R507 HydrophobicContact CG-CB 4.48Å; Y502-R507 PolarHBondContact O-N 3.45Å; Y502-D510 HydrophobicContact CD1-CB 4.08Å; Y502-D510 HydrophobicContact CD2-CB 3.53Å; Y502-D510 HydrophobicContact CE1-CB 4.28Å; Y502-D510 HydrophobicContact CE2-CB 3.74Å; Y502-D510 HydrophobicContact CG-CB 3.72Å; Y502-D514 WeakPolarHBondContact CD2-OD2 3.42Å; Y502-D514 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D514 WeakPolarHBondContact CE2-OD2 3.29Å |
| 503 | R | 84.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 172.2 | -167.4 | -178.4 | 62.7 | 74.6 | -4.9 | 112.5 | G499 A500 L501 G506 L508 A511 N531 | G499-R503 PolarHBondContact O-N 3.35Å; A500-R503 PolarHBondContact O-N 3.08Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.99Å; R503-G506 PolarHBondContact O-N 2.87Å; R503-L508 HydrophobicContact CG-CD2 4.36Å; R503-A511 HydrophobicContact CB-CB 4.09Å; R503-N531 VanDerWaalsContact CZ-OD1 3.29Å; R503-N531 PolarHBondContact NE-OD1 3.05Å; R503-N531 PolarHBondContact NH2-OD1 3.25Å |
| 504 | K | 78.7 | Confident | 85.6 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 53% | 0.53 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.3 | -35.5 | 172.7 | -72.2 | -178.3 | -178.8 | -179.8 | 0 | 113.3 | F458 A500 L501 Y502 G506 | F458-K504 HydrophobicContact CE1-CG 4.34Å; A500-K504 PolarHBondContact O-N 2.8Å; A500-K504 VanDerWaalsContact O-N 3.12Å; L501-K504 HydrophobicContact CD2-CD 4.24Å; L501-K504 CarbonylContact O-C 3.55Å; L501-K504 WeakPolarHBondContact O-CA 3.15Å; L501-K504 WeakPolarHBondContact O-CB 3.37Å; L501-K504 PolarHBondContact O-N 3.09Å; Y502-K504 VanDerWaalsContact C-N 3.31Å; Y502-K504 PolarHBondContact O-N 2.66Å; K504-G506 VanDerWaalsContact C-N 3.3Å |
| 505 | I | 76.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -74.6 | -21.1 | 174.1 | -67.9 | -167.4 | 0 | 0 | 0 | 112 | V472 I473 I476 L501 Y502 R507 | V472-I505 HydrophobicContact CG1-CD1 4.09Å; V472-I505 HydrophobicContact CG1-CG1 4.02Å; I473-I505 HydrophobicContact CG1-CD1 3.71Å; I476-I505 HydrophobicContact CD1-CD1 3.45Å; I476-I505 VanDerWaalsContact CD1-CD1 3.45Å; I476-I505 HydrophobicContact CD1-CG1 4.18Å; L501-I505 PolarHBondContact O-N 3.24Å; Y502-I505 PolarHBondContact O-N 2.96Å; I505-R507 HydrophobicContact CG2-CG 3.99Å |
| 506 | G | 75.1 | Confident | 85.9 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 8.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y502 R503 K504 L508 | Y502-G506 PolarHBondContact O-N 2.74Å; R503-G506 PolarHBondContact O-N 2.87Å; K504-G506 VanDerWaalsContact C-N 3.3Å; G506-L508 PolarHBondContact O-N 3.06Å |
| 507 | R | 82.4 | Confident | 85.9 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | trans | -77.3 | 71.7 | 171.3 | -62.4 | -158.3 | -170.5 | 179.8 | 1.3 | 110.6 | Y502 I505 Q509 D510 A511 | Y502-R507 HydrophobicContact CD1-CB 4.22Å; Y502-R507 HydrophobicContact CG-CB 4.48Å; Y502-R507 PolarHBondContact O-N 3.45Å; I505-R507 HydrophobicContact CG2-CG 3.99Å; R507-Q509 VanDerWaalsContact C-N 3.28Å; R507-Q509 PolarHBondContact O-N 3.07Å; R507-D510 HydrophobicContact CB-CB 4.05Å; R507-D510 WeakPolarHBondContact CD-OD2 3.05Å; R507-D510 IonicContact CZ-OD2 3.6Å; R507-D510 IonicContact NE-OD2 2.77Å; R507-D510 IonicContact NH1-OD2 3.03Å; R507-D510 PolarHBondContact NH1-OD2 3.43Å; R507-D510 PolarHBondContact O-N 3.23Å; R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.46Å; R507-A511 PolarHBondContact O-N 3.28Å | ||
| 508 | L | 83.2 | Confident | 86 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -31.1 | -172.4 | -62.7 | 179.6 | 0 | 0 | 0 | 113.6 | R503 G506 K512 L538 | R503-L508 HydrophobicContact CG-CD2 4.36Å; G506-L508 PolarHBondContact O-N 3.06Å; L508-K512 VanDerWaalsContact O-CB 3.29Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 3.25Å; L508-L538 HydrophobicContact CD1-CD1 4.22Å; L508-L538 HydrophobicContact CD2-CD1 4.18Å |
| 509 | Q | 85.2 | Confident | 85.9 | Confident | 169 Ų | 169 | 53.2 Ų | 53.2 | 79% | 0.79 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.7 | -52.5 | 176.8 | -67.5 | -176.9 | -6.4 | 0 | 0 | 111.7 | R507 A511 K512 A513 | R507-Q509 VanDerWaalsContact C-N 3.28Å; R507-Q509 PolarHBondContact O-N 3.07Å; Q509-A511 VanDerWaalsContact C-N 3.28Å; Q509-A511 PolarHBondContact O-N 3.01Å; Q509-K512 PolarHBondContact O-N 2.82Å; Q509-K512 VanDerWaalsContact O-N 3.11Å; Q509-A513 PolarHBondContact O-N 3.12Å |
| 510 | D | 86.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | 174.1 | -57.6 | 3.2 | 0 | 0 | 0 | 110.8 | Y502 R507 K512 A513 D514 | Y502-D510 HydrophobicContact CD1-CB 4.08Å; Y502-D510 HydrophobicContact CD2-CB 3.53Å; Y502-D510 HydrophobicContact CE1-CB 4.28Å; Y502-D510 HydrophobicContact CE2-CB 3.74Å; Y502-D510 HydrophobicContact CG-CB 3.72Å; R507-D510 HydrophobicContact CB-CB 4.05Å; R507-D510 WeakPolarHBondContact CD-OD2 3.05Å; R507-D510 IonicContact CZ-OD2 3.6Å; R507-D510 IonicContact NE-OD2 2.77Å; R507-D510 IonicContact NH1-OD2 3.03Å; R507-D510 PolarHBondContact NH1-OD2 3.43Å; R507-D510 PolarHBondContact O-N 3.23Å; D510-K512 PolarHBondContact O-N 3.03Å; D510-A513 PolarHBondContact O-N 3.25Å; D510-D514 PolarHBondContact O-N 2.76Å |
| 511 | A | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G499 R503 R507 Q509 L515 I535 | G499-A511 VanDerWaalsContact O-CB 3.28Å; G499-A511 WeakPolarHBondContact O-CB 3.48Å; R503-A511 HydrophobicContact CB-CB 4.09Å; R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.46Å; R507-A511 PolarHBondContact O-N 3.28Å; Q509-A511 VanDerWaalsContact C-N 3.28Å; Q509-A511 PolarHBondContact O-N 3.01Å; A511-L515 VanDerWaalsContact O-CB 3.26Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CD1 3.3Å; A511-L515 WeakPolarHBondContact O-CD1 3.26Å; A511-L515 WeakPolarHBondContact O-CG 3.21Å; A511-L515 PolarHBondContact O-N 3.44Å; A511-I535 HydrophobicContact CB-CD1 3.87Å |
| 512 | K | 89.3 | Confident | 85.5 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 179.7 | -166.1 | 178.9 | -170.9 | 177.6 | 0 | 112 | L508 Q509 D510 L515 L516 I532 I535 E539 | L508-K512 VanDerWaalsContact O-CB 3.29Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 3.25Å; Q509-K512 PolarHBondContact O-N 2.82Å; Q509-K512 VanDerWaalsContact O-N 3.11Å; D510-K512 PolarHBondContact O-N 3.03Å; K512-L515 PolarHBondContact O-N 3.1Å; K512-L516 HydrophobicContact CG-CD1 4.01Å; K512-L516 HydrophobicContact CG-CG 4.36Å; K512-L516 WeakPolarHBondContact O-CB 3.47Å; K512-L516 VanDerWaalsContact O-CG 3.27Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K512-I532 HydrophobicContact CG-CD1 4.41Å; K512-I535 HydrophobicContact CB-CD1 4.14Å; K512-I535 HydrophobicContact CB-CG2 4.27Å; K512-I535 HydrophobicContact CD-CG2 4.08Å; K512-I535 HydrophobicContact CG-CG2 4.26Å; K512-E539 WeakPolarHBondContact CD-OE1 3.45Å; K512-E539 WeakPolarHBondContact CE-OE1 3.49Å; K512-E539 IonicContact NZ-OE1 2.69Å; K512-E539 PolarHBondContact NZ-OE1 2.93Å; K512-E539 IonicContact NZ-OE2 2.83Å; K512-E539 PolarHBondContact NZ-OE2 3.12Å |
| 513 | A | 90.5 | Very high | 85.2 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q509 D510 R517 | Q509-A513 PolarHBondContact O-N 3.12Å; D510-A513 PolarHBondContact O-N 3.25Å; A513-R517 VanDerWaalsContact O-CB 3.31Å; A513-R517 WeakPolarHBondContact O-CB 3.41Å; A513-R517 PolarHBondContact O-N 3.21Å |
| 514 | D | 90.2 | Very high | 84.8 | Confident | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.059 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.5 | -88.3 | 0.1 | 0 | 0 | 0 | 112.3 | L495 R498 Y502 D510 R517 S518 | L495-D514 HydrophobicContact CD2-CB 4.41Å; L495-D514 VanDerWaalsContact CD2-OD1 3.29Å; L495-D514 WeakPolarHBondContact CD2-OD1 3.45Å; R498-D514 IonicContact CZ-OD1 3.71Å; R498-D514 IonicContact CZ-OD2 3.41Å; R498-D514 IonicContact NE-OD1 3.8Å; R498-D514 IonicContact NE-OD2 2.73Å; R498-D514 PolarHBondContact NE-OD2 3.07Å; R498-D514 IonicContact NH2-OD1 2.77Å; R498-D514 PolarHBondContact NH2-OD1 3.41Å; R498-D514 IonicContact NH2-OD2 3.24Å; R498-D514 PolarHBondContact NH2-OD2 3.1Å; Y502-D514 WeakPolarHBondContact CD2-OD2 3.42Å; Y502-D514 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D514 WeakPolarHBondContact CE2-OD2 3.29Å; D510-D514 PolarHBondContact O-N 2.76Å; D514-R517 PolarHBondContact O-N 3.47Å; D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.33Å; D514-S518 PolarHBondContact O-N 3.17Å |
| 515 | L | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 180 | -70.8 | 165.1 | 0 | 0 | 0 | 112.7 | A511 K512 S518 I519 A528 N531 I532 I535 | A511-L515 VanDerWaalsContact O-CB 3.26Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CD1 3.3Å; A511-L515 WeakPolarHBondContact O-CD1 3.26Å; A511-L515 WeakPolarHBondContact O-CG 3.21Å; A511-L515 PolarHBondContact O-N 3.44Å; K512-L515 PolarHBondContact O-N 3.1Å; L515-S518 WeakPolarHBondContact O-CB 3.45Å; L515-S518 PolarHBondContact O-N 3.24Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.09Å; L515-A528 HydrophobicContact CD2-CB 4.11Å; L515-N531 HydrophobicContact CD1-CB 3.66Å; L515-N531 HydrophobicContact CD2-CB 3.77Å; L515-N531 HydrophobicContact CG-CB 4.41Å; L515-I532 HydrophobicContact CB-CB 4.32Å; L515-I532 HydrophobicContact CB-CD1 4.37Å; L515-I532 HydrophobicContact CB-CG1 4.41Å; L515-I532 HydrophobicContact CD1-CB 4.46Å; L515-I535 HydrophobicContact CD1-CD1 3.72Å |
| 516 | L | 90.7 | Very high | 84.9 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 171.8 | -74.8 | 171.7 | 0 | 0 | 0 | 111.2 | K512 S518 I519 Q520 I532 | K512-L516 HydrophobicContact CG-CD1 4.01Å; K512-L516 HydrophobicContact CG-CG 4.36Å; K512-L516 WeakPolarHBondContact O-CB 3.47Å; K512-L516 VanDerWaalsContact O-CG 3.27Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; L516-S518 VanDerWaalsContact C-N 3.34Å; L516-I519 PolarHBondContact O-N 3.15Å; L516-Q520 WeakPolarHBondContact O-CG 3.19Å; L516-Q520 PolarHBondContact O-N 3.43Å; L516-I532 HydrophobicContact CD2-CD1 3.46Å; L516-I532 VanDerWaalsContact CD2-CD1 3.46Å; L516-I532 HydrophobicContact CG-CD1 3.64Å |
| 517 | R | 88.3 | Confident | 85.2 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | 177.1 | -165.3 | 175.3 | -173.6 | 164.8 | 1.9 | 112.3 | L495 A513 D514 Q520 L521 | L495-R517 HydrophobicContact CD1-CB 4.23Å; L495-R517 HydrophobicContact CD1-CG 3.85Å; A513-R517 VanDerWaalsContact O-CB 3.31Å; A513-R517 WeakPolarHBondContact O-CB 3.41Å; A513-R517 PolarHBondContact O-N 3.21Å; D514-R517 PolarHBondContact O-N 3.47Å; R517-Q520 PolarHBondContact O-N 2.67Å; R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 3.45Å; R517-L521 VanDerWaalsContact O-N 3.12Å |
| 518 | S | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 170.8 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | G492 C496 D514 L515 L516 Q520 L521 E522 L525 | G492-S518 WeakPolarHBondContact O-CB 3.46Å; G492-S518 PolarHBondContact O-OG 2.73Å; C496-S518 WeakPolarHBondContact CB-OG 3.38Å; D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.33Å; D514-S518 PolarHBondContact O-N 3.17Å; L515-S518 WeakPolarHBondContact O-CB 3.45Å; L515-S518 PolarHBondContact O-N 3.24Å; L516-S518 VanDerWaalsContact C-N 3.34Å; S518-Q520 VanDerWaalsContact C-N 3.3Å; S518-Q520 PolarHBondContact O-N 3.2Å; S518-L521 PolarHBondContact O-N 3.09Å; S518-L521 VanDerWaalsContact O-N 3.16Å; S518-E522 PolarHBondContact O-N 3.25Å; S518-L525 WeakPolarHBondContact OG-CD2 3.36Å |
| 519 | I | 87 | Confident | 85.4 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -32 | 176.4 | -67.3 | 165.6 | 0 | 0 | 0 | 112.1 | L515 L516 S523 A528 I532 | L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.09Å; L516-I519 PolarHBondContact O-N 3.15Å; I519-S523 WeakPolarHBondContact O-CA 3.28Å; I519-S523 PolarHBondContact O-N 3.32Å; I519-A528 HydrophobicContact CD1-CB 4.23Å; I519-A528 HydrophobicContact CG1-CB 3.7Å; I519-I532 HydrophobicContact CD1-CD1 4.34Å; I519-I532 HydrophobicContact CD1-CG2 3.93Å |
| 520 | Q | 87.1 | Confident | 85.2 | Confident | 162 Ų | 162 | 55 Ų | 55 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.3 | -31.6 | 174.4 | -75.6 | 171.7 | -11.1 | 0 | 0 | 113.3 | L516 R517 S518 | L516-Q520 WeakPolarHBondContact O-CG 3.19Å; L516-Q520 PolarHBondContact O-N 3.43Å; R517-Q520 PolarHBondContact O-N 2.67Å; S518-Q520 VanDerWaalsContact C-N 3.3Å; S518-Q520 PolarHBondContact O-N 3.2Å |
| 521 | L | 84 | Confident | 85 | Confident | 92 Ų | 92 | 53 Ų | 53 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -85.1 | -42.6 | 176.7 | -67.8 | 168.2 | 0 | 0 | 0 | 112 | L491 L495 R517 S518 | L491-L521 HydrophobicContact CB-CD1 4.37Å; L491-L521 HydrophobicContact CD2-CD1 3.93Å; L491-L521 HydrophobicContact CG-CD1 3.85Å; L495-L521 HydrophobicContact CD1-CD1 3.74Å; R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 3.45Å; R517-L521 VanDerWaalsContact O-N 3.12Å; S518-L521 PolarHBondContact O-N 3.09Å; S518-L521 VanDerWaalsContact O-N 3.16Å |
| 522 | E | 80.2 | Confident | 84.9 | Confident | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | trans | -133.8 | 75.2 | -173.7 | -65.4 | -173.5 | 119.9 | 0 | 0 | 110 | G492 F493 S518 K524 L525 | G492-E522 VanDerWaalsContact CA-OE2 3.23Å; G492-E522 WeakPolarHBondContact CA-OE2 3.28Å; F493-E522 PolarHBondContact N-OE2 3.45Å; S518-E522 PolarHBondContact O-N 3.25Å; E522-K524 PolarHBondContact O-N 3.37Å; E522-L525 HydrophobicContact CB-CB 4.16Å; E522-L525 VanDerWaalsContact O-CB 3.26Å; E522-L525 WeakPolarHBondContact O-CB 3.41Å; E522-L525 PolarHBondContact O-N 2.71Å | ||
| 523 | S | 80.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.3 | -177.7 | 59 | 0 | 0 | 0 | 0 | 115.1 | I519 H529 Y555 | I519-S523 WeakPolarHBondContact O-CA 3.28Å; I519-S523 PolarHBondContact O-N 3.32Å; S523-H529 PolarHBondContact O-NE2 3.21Å; S523-Y555 WeakPolarHBondContact O-CE2 3.16Å |
| 524 | K | 77.5 | Confident | 84.2 | Confident | 156 Ų | 156 | 52.8 Ų | 52.8 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.6 | 177.1 | -57.6 | -176.3 | -178.3 | 175.5 | 0 | 114 | E522 S526 Y555 | E522-K524 PolarHBondContact O-N 3.37Å; K524-S526 PolarHBondContact O-N 2.87Å; K524-Y555 HydrophobicContact CB-CD1 4Å; K524-Y555 HydrophobicContact CB-CE1 4Å; K524-Y555 HydrophobicContact CB-CG 4.35Å; K524-Y555 HydrophobicContact CG-CD1 4.24Å; K524-Y555 HydrophobicContact CG-CE1 3.77Å; K524-Y555 WeakPolarHBondContact O-CB 3.44Å |
| 525 | L | 79.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | trans | -79.4 | 91.4 | -171.8 | -154.2 | 76.1 | 0 | 0 | 0 | 111.5 | C496 S518 E522 S527 A528 H529 | C496-L525 HydrophobicContact CB-CD2 3.51Å; S518-L525 WeakPolarHBondContact OG-CD2 3.36Å; E522-L525 HydrophobicContact CB-CB 4.16Å; E522-L525 VanDerWaalsContact O-CB 3.26Å; E522-L525 WeakPolarHBondContact O-CB 3.41Å; E522-L525 PolarHBondContact O-N 2.71Å; L525-S527 PolarHBondContact O-N 3.18Å; L525-S527 VanDerWaalsContact O-N 3.12Å; L525-A528 HydrophobicContact CB-CB 4.3Å; L525-A528 HydrophobicContact CD2-CB 4.21Å; L525-A528 PolarHBondContact O-N 3.12Å; L525-H529 PolarHBondContact O-N 3Å | ||
| 526 | S | 78.8 | Confident | 83.6 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.9 | -35.9 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | K524 A528 H529 W530 | K524-S526 PolarHBondContact O-N 2.87Å; S526-A528 PolarHBondContact O-N 3.29Å; S526-H529 PolarHBondContact O-N 2.94Å; S526-W530 VanDerWaalsContact O-CB 3.31Å; S526-W530 WeakPolarHBondContact O-CB 3.36Å; S526-W530 PolarHBondContact O-N 3.3Å |
| 527 | S | 80.4 | Confident | 83 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 177.4 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | C496 L525 N531 | C496-S527 PolarHBondContact SG-OG 3.27Å; L525-S527 PolarHBondContact O-N 3.18Å; L525-S527 VanDerWaalsContact O-N 3.12Å; S527-N531 PolarHBondContact O-N 3.36Å; S527-N531 PolarHBondContact O-ND2 2.89Å |
| 528 | A | 84.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.8 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C496 L515 I519 L525 S526 W530 N531 I532 | C496-A528 HydrophobicContact CB-CB 4.5Å; L515-A528 HydrophobicContact CD2-CB 4.11Å; I519-A528 HydrophobicContact CD1-CB 4.23Å; I519-A528 HydrophobicContact CG1-CB 3.7Å; L525-A528 HydrophobicContact CB-CB 4.3Å; L525-A528 HydrophobicContact CD2-CB 4.21Å; L525-A528 PolarHBondContact O-N 3.12Å; S526-A528 PolarHBondContact O-N 3.29Å; A528-W530 VanDerWaalsContact C-N 3.3Å; A528-W530 PolarHBondContact O-N 3.02Å; A528-N531 PolarHBondContact O-N 2.95Å; A528-I532 WeakPolarHBondContact O-CB 3.4Å; A528-I532 PolarHBondContact O-N 2.91Å |
| 529 | H | 84.8 | Confident | 82 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 172.9 | -78.2 | -88.7 | 0 | 0 | 0 | 112.6 | S523 L525 S526 H533 H548 Q551 | S523-H529 PolarHBondContact O-NE2 3.21Å; L525-H529 PolarHBondContact O-N 3Å; S526-H529 PolarHBondContact O-N 2.94Å; H529-H533 WeakPolarHBondContact O-CB 3.33Å; H529-H533 PolarHBondContact O-N 3.34Å; H529-H548 AromaticContact CE1-ND1 3.67Å; H529-H548 AromaticContact ND1-CE1 3.99Å; H529-H548 AromaticContact ND1-ND1 3.1Å; H529-H548 PolarHBondContact ND1-ND1 3.45Å; H529-Q551 VanDerWaalsContact CE1-CB 3.49Å; H529-Q551 WeakPolarHBondContact CE1-CB 3.18Å; H529-Q551 VanDerWaalsContact ND1-CB 3.26Å; H529-Q551 WeakPolarHBondContact ND1-CB 3.28Å |
| 530 | W | 81.4 | Confident | 81.5 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 175.3 | -175.6 | -108.8 | 0 | 0 | 0 | 112.8 | S526 A528 F534 | S526-W530 VanDerWaalsContact O-CB 3.31Å; S526-W530 WeakPolarHBondContact O-CB 3.36Å; S526-W530 PolarHBondContact O-N 3.3Å; A528-W530 VanDerWaalsContact C-N 3.3Å; A528-W530 PolarHBondContact O-N 3.02Å; W530-F534 HydrophobicContact CD2-CE2 4.24Å; W530-F534 AromaticContact CE2-CE2 3.73Å; W530-F534 HydrophobicContact CG-CE2 4.46Å; W530-F534 HydrophobicContact CZ2-CE2 4.08Å; W530-F534 HydrophobicContact CZ2-CZ 4.04Å; W530-F534 AromaticContact NE1-CE2 3.66Å; W530-F534 WeakPolarHBondContact O-CD2 3.44Å |
| 531 | N | 83.4 | Confident | 81.1 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 178.6 | -79.6 | -78.2 | 0 | 0 | 0 | 112.7 | R503 L515 S527 A528 F534 | R503-N531 VanDerWaalsContact CZ-OD1 3.29Å; R503-N531 PolarHBondContact NE-OD1 3.05Å; R503-N531 PolarHBondContact NH2-OD1 3.25Å; L515-N531 HydrophobicContact CD1-CB 3.66Å; L515-N531 HydrophobicContact CD2-CB 3.77Å; L515-N531 HydrophobicContact CG-CB 4.41Å; S527-N531 PolarHBondContact O-N 3.36Å; S527-N531 PolarHBondContact O-ND2 2.89Å; A528-N531 PolarHBondContact O-N 2.95Å; N531-F534 PolarHBondContact O-N 3.06Å |
| 532 | I | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.2 | -29.4 | 179.7 | -151.7 | 176.6 | 0 | 0 | 0 | 112.4 | K512 L515 L516 I519 A528 F534 I535 Y536 H548 | K512-I532 HydrophobicContact CG-CD1 4.41Å; L515-I532 HydrophobicContact CB-CB 4.32Å; L515-I532 HydrophobicContact CB-CD1 4.37Å; L515-I532 HydrophobicContact CB-CG1 4.41Å; L515-I532 HydrophobicContact CD1-CB 4.46Å; L516-I532 HydrophobicContact CD2-CD1 3.46Å; L516-I532 VanDerWaalsContact CD2-CD1 3.46Å; L516-I532 HydrophobicContact CG-CD1 3.64Å; I519-I532 HydrophobicContact CD1-CD1 4.34Å; I519-I532 HydrophobicContact CD1-CG2 3.93Å; A528-I532 WeakPolarHBondContact O-CB 3.4Å; A528-I532 PolarHBondContact O-N 2.91Å; I532-F534 VanDerWaalsContact C-N 3.29Å; I532-F534 PolarHBondContact O-N 3.33Å; I532-I535 PolarHBondContact O-N 3.12Å; I532-Y536 HydrophobicContact CD1-CE2 3.7Å; I532-Y536 HydrophobicContact CG1-CD2 3.97Å; I532-Y536 HydrophobicContact CG1-CE2 3.65Å; I532-Y536 HydrophobicContact CG2-CD2 4.36Å; I532-Y536 HydrophobicContact CG2-CE2 4.26Å; I532-Y536 VanDerWaalsContact O-CD2 3.25Å; I532-Y536 WeakPolarHBondContact O-CD2 3.5Å; I532-Y536 PolarHBondContact O-N 3.01Å; I532-H548 HydrophobicContact CG2-CB 3.9Å; I532-H548 WeakPolarHBondContact CG2-ND1 3.12Å |
| 533 | H | 83.6 | Confident | 80.4 | Confident | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.9 | -45.9 | 169.8 | 162.2 | 73.6 | 0 | 0 | 0 | 111.9 | H529 I535 Y536 L537 A545 H548 | H529-H533 WeakPolarHBondContact O-CB 3.33Å; H529-H533 PolarHBondContact O-N 3.34Å; H533-I535 VanDerWaalsContact C-N 3.34Å; H533-I535 PolarHBondContact O-N 3.36Å; H533-Y536 PolarHBondContact O-N 3.16Å; H533-L537 WeakPolarHBondContact NE2-CD1 3.45Å; H533-L537 PolarHBondContact O-N 3.05Å; H533-A545 PolarHBondContact ND1-O 3.19Å; H533-H548 HydrophobicContact CB-CB 4.32Å |
| 534 | F | 80.7 | Confident | 80.4 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 175.7 | -71 | -70.6 | 0 | 0 | 0 | 113.2 | W530 N531 I532 L537 L538 | W530-F534 HydrophobicContact CD2-CE2 4.24Å; W530-F534 AromaticContact CE2-CE2 3.73Å; W530-F534 HydrophobicContact CG-CE2 4.46Å; W530-F534 HydrophobicContact CZ2-CE2 4.08Å; W530-F534 HydrophobicContact CZ2-CZ 4.04Å; W530-F534 AromaticContact NE1-CE2 3.66Å; W530-F534 WeakPolarHBondContact O-CD2 3.44Å; N531-F534 PolarHBondContact O-N 3.06Å; I532-F534 VanDerWaalsContact C-N 3.29Å; I532-F534 PolarHBondContact O-N 3.33Å; F534-L537 HydrophobicContact CD1-CD1 4.43Å; F534-L537 PolarHBondContact O-N 3.07Å; F534-L538 VanDerWaalsContact O-CG 3.3Å; F534-L538 WeakPolarHBondContact O-CG 3.15Å; F534-L538 PolarHBondContact O-N 2.9Å |
| 535 | I | 82.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 175.8 | -60.6 | 177.4 | 0 | 0 | 0 | 110.1 | A511 K512 L515 I532 H533 L537 L538 E539 | A511-I535 HydrophobicContact CB-CD1 3.87Å; K512-I535 HydrophobicContact CB-CD1 4.14Å; K512-I535 HydrophobicContact CB-CG2 4.27Å; K512-I535 HydrophobicContact CD-CG2 4.08Å; K512-I535 HydrophobicContact CG-CG2 4.26Å; L515-I535 HydrophobicContact CD1-CD1 3.72Å; I532-I535 PolarHBondContact O-N 3.12Å; H533-I535 VanDerWaalsContact C-N 3.34Å; H533-I535 PolarHBondContact O-N 3.36Å; I535-L537 PolarHBondContact O-N 3.2Å; I535-L538 PolarHBondContact O-N 3.38Å; I535-E539 PolarHBondContact O-N 3.45Å |
| 536 | Y | 85.4 | Confident | 80.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 175.4 | -74 | -64.2 | 0 | 0 | 0 | 113.6 | I532 H533 E539 G540 K541 E544 H548 | I532-Y536 HydrophobicContact CD1-CE2 3.7Å; I532-Y536 HydrophobicContact CG1-CD2 3.97Å; I532-Y536 HydrophobicContact CG1-CE2 3.65Å; I532-Y536 HydrophobicContact CG2-CD2 4.36Å; I532-Y536 HydrophobicContact CG2-CE2 4.26Å; I532-Y536 VanDerWaalsContact O-CD2 3.25Å; I532-Y536 WeakPolarHBondContact O-CD2 3.5Å; I532-Y536 PolarHBondContact O-N 3.01Å; H533-Y536 PolarHBondContact O-N 3.16Å; Y536-E539 PolarHBondContact O-N 3.43Å; Y536-G540 PolarHBondContact O-N 3Å; Y536-K541 HydrophobicContact CD1-CB 4.17Å; Y536-K541 HydrophobicContact CD1-CD 4.21Å; Y536-K541 HydrophobicContact CE1-CD 4.5Å; Y536-K541 PolarHBondContact O-N 3.15Å; Y536-E544 HydrophobicContact CD1-CB 3.67Å; Y536-E544 HydrophobicContact CD1-CG 4.49Å; Y536-E544 WeakPolarHBondContact CD1-OE2 3.37Å; Y536-E544 HydrophobicContact CD2-CB 4.31Å; Y536-E544 HydrophobicContact CE1-CB 3.93Å; Y536-E544 HydrophobicContact CE1-CG 4.38Å; Y536-E544 WeakPolarHBondContact CE1-OE2 3.45Å; Y536-E544 HydrophobicContact CG-CB 3.87Å; Y536-H548 AromaticContact CD2-CD2 3.63Å; Y536-H548 AromaticContact CE2-CD2 3.38Å; Y536-H548 WeakPolarHBondContact CE2-CD2 3.25Å; Y536-H548 AromaticContact CE2-NE2 3.47Å; Y536-H548 WeakPolarHBondContact CE2-NE2 3.45Å |
| 537 | L | 77.7 | Confident | 80.3 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 168.3 | -76 | 179.6 | 0 | 0 | 0 | 112 | H533 F534 I535 E539 G540 A545 | H533-L537 WeakPolarHBondContact NE2-CD1 3.45Å; H533-L537 PolarHBondContact O-N 3.05Å; F534-L537 HydrophobicContact CD1-CD1 4.43Å; F534-L537 PolarHBondContact O-N 3.07Å; I535-L537 PolarHBondContact O-N 3.2Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 3.36Å; L537-G540 PolarHBondContact O-N 3.32Å; L537-A545 HydrophobicContact CD2-CB 3.91Å; L537-A545 HydrophobicContact CG-CB 4Å |
| 538 | L | 76.1 | Confident | 80.3 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 59% | 0.592 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.2 | -30.1 | 176.8 | -69.6 | 168.3 | 0 | 0 | 0 | 112.7 | L508 F534 I535 G540 | L508-L538 HydrophobicContact CD1-CD1 4.22Å; L508-L538 HydrophobicContact CD2-CD1 4.18Å; F534-L538 VanDerWaalsContact O-CG 3.3Å; F534-L538 WeakPolarHBondContact O-CG 3.15Å; F534-L538 PolarHBondContact O-N 2.9Å; I535-L538 PolarHBondContact O-N 3.38Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.43Å |
| 539 | E | 81 | Confident | 79.9 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3 | 169.6 | -73.5 | -178.2 | -156.4 | 0 | 0 | 113.8 | K512 I535 Y536 L537 K541 | K512-E539 WeakPolarHBondContact CD-OE1 3.45Å; K512-E539 WeakPolarHBondContact CE-OE1 3.49Å; K512-E539 IonicContact NZ-OE1 2.69Å; K512-E539 PolarHBondContact NZ-OE1 2.93Å; K512-E539 IonicContact NZ-OE2 2.83Å; K512-E539 PolarHBondContact NZ-OE2 3.12Å; I535-E539 PolarHBondContact O-N 3.45Å; Y536-E539 PolarHBondContact O-N 3.43Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 3.36Å; E539-K541 HydrophobicContact CB-CD 4.31Å; E539-K541 HydrophobicContact CB-CG 4.11Å; E539-K541 PolarHBondContact O-N 2.7Å; E539-K541 WeakPolarHBondContact OE2-CE 3.42Å; E539-K541 IonicContact OE2-NZ 2.73Å; E539-K541 PolarHBondContact OE2-NZ 3.49Å |
| 540 | G | 75 | Confident | 79.3 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 7.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y536 L537 L538 T542 | Y536-G540 PolarHBondContact O-N 3Å; L537-G540 PolarHBondContact O-N 3.32Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.43Å; G540-T542 PolarHBondContact O-N 2.92Å |
| 541 | K | 78.9 | Confident | 79 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | trans | -88.5 | 72.5 | -173.5 | -62.5 | -175.2 | -171.6 | 159 | 0 | 111.7 | Y536 E539 K543 E544 A545 | Y536-K541 HydrophobicContact CD1-CB 4.17Å; Y536-K541 HydrophobicContact CD1-CD 4.21Å; Y536-K541 HydrophobicContact CE1-CD 4.5Å; Y536-K541 PolarHBondContact O-N 3.15Å; E539-K541 HydrophobicContact CB-CD 4.31Å; E539-K541 HydrophobicContact CB-CG 4.11Å; E539-K541 PolarHBondContact O-N 2.7Å; E539-K541 WeakPolarHBondContact OE2-CE 3.42Å; E539-K541 IonicContact OE2-NZ 2.73Å; E539-K541 PolarHBondContact OE2-NZ 3.49Å; K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 2.96Å; K541-E544 HydrophobicContact CB-CB 4.24Å; K541-E544 WeakPolarHBondContact CD-OE2 3.18Å; K541-E544 PolarHBondContact O-N 3.46Å; K541-E544 VanDerWaalsContact O-N 3.16Å; K541-A545 WeakPolarHBondContact O-CB 3.49Å; K541-A545 PolarHBondContact O-N 3.12Å | ||
| 542 | T | 73.7 | Confident | 78.4 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -52.8 | -39.8 | -174 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | G540 L546 | G540-T542 PolarHBondContact O-N 2.92Å; T542-L546 WeakPolarHBondContact O-CB 3.38Å; T542-L546 PolarHBondContact O-N 2.73Å |
| 543 | K | 76.3 | Confident | 77.2 | Confident | 181 Ų | 181 | 56.2 Ų | 56.2 | 79% | 0.787 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 178.2 | -67.4 | -176.1 | 178.9 | -179.8 | 0 | 112.6 | K541 L546 Y547 | K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 2.96Å; K543-L546 PolarHBondContact O-N 3.15Å; K543-Y547 PolarHBondContact O-N 3.14Å |
| 544 | E | 79.8 | Confident | 76.2 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 179.2 | -70.5 | 155 | -127.8 | 0 | 0 | 110.4 | Y536 K541 L546 Y547 H548 | Y536-E544 HydrophobicContact CD1-CB 3.67Å; Y536-E544 HydrophobicContact CD1-CG 4.49Å; Y536-E544 WeakPolarHBondContact CD1-OE2 3.37Å; Y536-E544 HydrophobicContact CD2-CB 4.31Å; Y536-E544 HydrophobicContact CE1-CB 3.93Å; Y536-E544 HydrophobicContact CE1-CG 4.38Å; Y536-E544 WeakPolarHBondContact CE1-OE2 3.45Å; Y536-E544 HydrophobicContact CG-CB 3.87Å; K541-E544 HydrophobicContact CB-CB 4.24Å; K541-E544 WeakPolarHBondContact CD-OE2 3.18Å; K541-E544 PolarHBondContact O-N 3.46Å; K541-E544 VanDerWaalsContact O-N 3.16Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 3.13Å; E544-Y547 PolarHBondContact O-N 3.29Å; E544-H548 PolarHBondContact O-CD2 3.42Å; E544-H548 VanDerWaalsContact O-CD2 3.25Å; E544-H548 PolarHBondContact O-N 2.98Å |
| 545 | A | 78.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H533 L537 K541 H548 L549 | H533-A545 PolarHBondContact ND1-O 3.19Å; L537-A545 HydrophobicContact CD2-CB 3.91Å; L537-A545 HydrophobicContact CG-CB 4Å; K541-A545 WeakPolarHBondContact O-CB 3.49Å; K541-A545 PolarHBondContact O-N 3.12Å; A545-H548 PolarHBondContact O-N 2.92Å; A545-L549 WeakPolarHBondContact O-CB 3.22Å; A545-L549 PolarHBondContact O-N 3.45Å |
| 546 | L | 74.6 | Confident | 74.2 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | -179.7 | -164.8 | 146.7 | 0 | 0 | 0 | 111.5 | T542 K543 E544 H548 L549 E550 L571 | T542-L546 WeakPolarHBondContact O-CB 3.38Å; T542-L546 PolarHBondContact O-N 2.73Å; K543-L546 PolarHBondContact O-N 3.15Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 3.13Å; L546-H548 PolarHBondContact O-N 3.43Å; L546-L549 WeakPolarHBondContact O-CB 3.36Å; L546-L549 PolarHBondContact O-N 3.37Å; L546-E550 HydrophobicContact CD2-CG 4.14Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.98Å; L546-L571 HydrophobicContact CD1-CD2 4.17Å; L546-L571 HydrophobicContact CG-CD2 4.39Å |
| 547 | Y | 81.6 | Confident | 72.6 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 48% | 0.475 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 173 | 172.1 | -100.5 | 0 | 0 | 0 | 112.5 | K543 E544 L549 E550 Q551 | K543-Y547 PolarHBondContact O-N 3.14Å; E544-Y547 PolarHBondContact O-N 3.29Å; Y547-L549 VanDerWaalsContact C-N 3.31Å; Y547-L549 PolarHBondContact O-N 2.9Å; Y547-E550 PolarHBondContact O-N 2.9Å; Y547-Q551 HydrophobicContact CD1-CG 4.45Å; Y547-Q551 HydrophobicContact CD2-CG 4.44Å; Y547-Q551 HydrophobicContact CE1-CG 3.99Å; Y547-Q551 HydrophobicContact CE2-CG 3.98Å; Y547-Q551 WeakPolarHBondContact O-CG 3.28Å; Y547-Q551 PolarHBondContact O-N 3.06Å |
| 548 | H | 80.3 | Confident | 71.5 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 9% | 0.088 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 178.9 | -77.9 | -77.9 | 0 | 0 | 0 | 112.7 | H529 I532 H533 Y536 E544 A545 L546 S552 | H529-H548 AromaticContact CE1-ND1 3.67Å; H529-H548 AromaticContact ND1-CE1 3.99Å; H529-H548 AromaticContact ND1-ND1 3.1Å; H529-H548 PolarHBondContact ND1-ND1 3.45Å; I532-H548 HydrophobicContact CG2-CB 3.9Å; I532-H548 WeakPolarHBondContact CG2-ND1 3.12Å; H533-H548 HydrophobicContact CB-CB 4.32Å; Y536-H548 AromaticContact CD2-CD2 3.63Å; Y536-H548 AromaticContact CE2-CD2 3.38Å; Y536-H548 WeakPolarHBondContact CE2-CD2 3.25Å; Y536-H548 AromaticContact CE2-NE2 3.47Å; Y536-H548 WeakPolarHBondContact CE2-NE2 3.45Å; E544-H548 PolarHBondContact O-CD2 3.42Å; E544-H548 VanDerWaalsContact O-CD2 3.25Å; E544-H548 PolarHBondContact O-N 2.98Å; A545-H548 PolarHBondContact O-N 2.92Å; L546-H548 PolarHBondContact O-N 3.43Å; H548-S552 WeakPolarHBondContact O-CB 3.47Å; H548-S552 PolarHBondContact O-N 2.96Å |
| 549 | L | 75 | Confident | 70.4 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 170.6 | -175.3 | 159.3 | 0 | 0 | 0 | 110.8 | A545 L546 Y547 Q551 S552 F553 I567 L571 | A545-L549 WeakPolarHBondContact O-CB 3.22Å; A545-L549 PolarHBondContact O-N 3.45Å; L546-L549 WeakPolarHBondContact O-CB 3.36Å; L546-L549 PolarHBondContact O-N 3.37Å; Y547-L549 VanDerWaalsContact C-N 3.31Å; Y547-L549 PolarHBondContact O-N 2.9Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.97Å; L549-S552 PolarHBondContact O-N 3.31Å; L549-S552 PolarHBondContact O-OG 2.84Å; L549-F553 WeakPolarHBondContact O-CB 3.34Å; L549-F553 PolarHBondContact O-N 3.47Å; L549-I567 HydrophobicContact CD2-CG2 3.75Å; L549-I567 HydrophobicContact CG-CG2 4.43Å; L549-L571 HydrophobicContact CD1-CD2 4.2Å; L549-L571 HydrophobicContact CD1-CG 4.44Å; L549-L571 HydrophobicContact CD2-CD1 3.73Å; L549-L571 HydrophobicContact CD2-CD2 4.36Å; L549-L571 HydrophobicContact CD2-CG 4.27Å |
| 550 | E | 71.8 | Confident | 69.7 | Low | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 176.9 | -70.3 | -172.8 | 139.8 | 0 | 0 | 113.2 | L546 Y547 F553 I554 Y578 | L546-E550 HydrophobicContact CD2-CG 4.14Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.98Å; Y547-E550 PolarHBondContact O-N 2.9Å; E550-F553 WeakPolarHBondContact O-CB 3.49Å; E550-F553 PolarHBondContact O-N 3.36Å; E550-I554 VanDerWaalsContact O-CG1 3.31Å; E550-I554 WeakPolarHBondContact O-CG1 3.43Å; E550-I554 PolarHBondContact O-N 3.28Å; E550-Y578 PolarHBondContact OE1-OH 3.46Å |
| 551 | Q | 76.7 | Confident | 69.2 | Low | 34 Ų | 34 | 71.3 Ų | 71.3 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 172.8 | -64.8 | -54.9 | -35.9 | 0 | 0 | 112 | H529 Y547 L549 F553 I554 Y555 | H529-Q551 VanDerWaalsContact CE1-CB 3.49Å; H529-Q551 WeakPolarHBondContact CE1-CB 3.18Å; H529-Q551 VanDerWaalsContact ND1-CB 3.26Å; H529-Q551 WeakPolarHBondContact ND1-CB 3.28Å; Y547-Q551 HydrophobicContact CD1-CG 4.45Å; Y547-Q551 HydrophobicContact CD2-CG 4.44Å; Y547-Q551 HydrophobicContact CE1-CG 3.99Å; Y547-Q551 HydrophobicContact CE2-CG 3.98Å; Y547-Q551 WeakPolarHBondContact O-CG 3.28Å; Y547-Q551 PolarHBondContact O-N 3.06Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.97Å; Q551-F553 PolarHBondContact O-N 3.22Å; Q551-I554 PolarHBondContact O-N 3.28Å; Q551-Y555 WeakPolarHBondContact O-CD2 3.33Å; Q551-Y555 PolarHBondContact O-N 3.46Å |
| 552 | S | 69.9 | Low | 68.7 | Low | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -36.5 | 173 | 80.1 | 0 | 0 | 0 | 0 | 111.3 | H548 L549 S556 | H548-S552 WeakPolarHBondContact O-CB 3.47Å; H548-S552 PolarHBondContact O-N 2.96Å; L549-S552 PolarHBondContact O-N 3.31Å; L549-S552 PolarHBondContact O-OG 2.84Å; S552-S556 WeakPolarHBondContact O-CB 3.17Å; S552-S556 PolarHBondContact O-N 3.44Å |
| 553 | F | 62.1 | Low | 68.3 | Low | 16 Ų | 16 | 72.1 Ų | 72.1 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.6 | -49 | 177.1 | -176.3 | -78.6 | 0 | 0 | 0 | 111.8 | L549 E550 Q551 Y555 S556 I557 E564 I567 W568 | L549-F553 WeakPolarHBondContact O-CB 3.34Å; L549-F553 PolarHBondContact O-N 3.47Å; E550-F553 WeakPolarHBondContact O-CB 3.49Å; E550-F553 PolarHBondContact O-N 3.36Å; Q551-F553 PolarHBondContact O-N 3.22Å; F553-Y555 PolarHBondContact O-N 3.25Å; F553-S556 WeakPolarHBondContact O-CA 3.26Å; F553-S556 PolarHBondContact O-N 2.9Å; F553-I557 HydrophobicContact CD1-CD1 4.09Å; F553-I557 HydrophobicContact CD1-CG1 4.15Å; F553-I557 HydrophobicContact CE1-CD1 3.87Å; F553-I557 HydrophobicContact CE1-CG1 3.86Å; F553-I557 WeakPolarHBondContact O-CG1 3.36Å; F553-I557 PolarHBondContact O-N 3.27Å; F553-I557 VanDerWaalsContact O-N 3.13Å; F553-E564 HydrophobicContact CD2-CG 4.42Å; F553-E564 HydrophobicContact CE1-CG 4.34Å; F553-E564 HydrophobicContact CE2-CB 4.34Å; F553-E564 HydrophobicContact CE2-CG 3.27Å; F553-E564 HydrophobicContact CZ-CG 3.21Å; F553-E564 WeakPolarHBondContact CZ-OE1 3.41Å; F553-I567 HydrophobicContact CD2-CG2 4.31Å; F553-W568 HydrophobicContact CD1-CZ2 4.11Å; F553-W568 AromaticContact CD2-CZ2 3.99Å; F553-W568 HydrophobicContact CD2-CZ2 3.99Å; F553-W568 AromaticContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE2-CD2 4.45Å; F553-W568 AromaticContact CE2-CE2 3.4Å; F553-W568 VanDerWaalsContact CE2-CE2 3.4Å; F553-W568 AromaticContact CE2-CZ2 3.51Å; F553-W568 HydrophobicContact CE2-CZ2 3.51Å; F553-W568 AromaticContact CE2-NE1 3.12Å; F553-W568 HydrophobicContact CG-CZ2 4.26Å; F553-W568 AromaticContact CZ-CE2 3.47Å; F553-W568 VanDerWaalsContact CZ-CE2 3.47Å; F553-W568 AromaticContact CZ-CZ2 3.36Å; F553-W568 HydrophobicContact CZ-CZ2 3.36Å; F553-W568 AromaticContact CZ-NE1 3.11Å |
| 554 | I | 63 | Low | 67.8 | Low | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -53.5 | -38.8 | 177.2 | -74.6 | 163.8 | 0 | 0 | 0 | 111.4 | E550 Q551 | E550-I554 VanDerWaalsContact O-CG1 3.31Å; E550-I554 WeakPolarHBondContact O-CG1 3.43Å; E550-I554 PolarHBondContact O-N 3.28Å; Q551-I554 PolarHBondContact O-N 3.28Å |
| 555 | Y | 62.1 | Low | 67.4 | Low | 76 Ų | 76 | 63.3 Ų | 63.3 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.6 | 177.3 | -55.6 | -52.4 | 0 | 0 | 0 | 114.4 | S523 K524 Q551 F553 | S523-Y555 WeakPolarHBondContact O-CE2 3.16Å; K524-Y555 HydrophobicContact CB-CD1 4Å; K524-Y555 HydrophobicContact CB-CE1 4Å; K524-Y555 HydrophobicContact CB-CG 4.35Å; K524-Y555 HydrophobicContact CG-CD1 4.24Å; K524-Y555 HydrophobicContact CG-CE1 3.77Å; K524-Y555 WeakPolarHBondContact O-CB 3.44Å; Q551-Y555 WeakPolarHBondContact O-CD2 3.33Å; Q551-Y555 PolarHBondContact O-N 3.46Å; F553-Y555 PolarHBondContact O-N 3.25Å |
| 556 | S | 59.7 | Low | 67.3 | Low | 56 Ų | 56 | 69.2 Ų | 69.2 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.8 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 114 | S552 F553 L558 | S552-S556 WeakPolarHBondContact O-CB 3.17Å; S552-S556 PolarHBondContact O-N 3.44Å; F553-S556 WeakPolarHBondContact O-CA 3.26Å; F553-S556 PolarHBondContact O-N 2.9Å; S556-L558 PolarHBondContact O-N 2.89Å |
| 557 | I | 51.7 | Low | 67 | Low | 92 Ų | 92 | 67.9 Ų | 67.9 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -11.5 | -175.9 | -84.6 | 168.1 | 0 | 0 | 0 | 114.7 | F553 N559 | F553-I557 HydrophobicContact CD1-CD1 4.09Å; F553-I557 HydrophobicContact CD1-CG1 4.15Å; F553-I557 HydrophobicContact CE1-CD1 3.87Å; F553-I557 HydrophobicContact CE1-CG1 3.86Å; F553-I557 WeakPolarHBondContact O-CG1 3.36Å; F553-I557 PolarHBondContact O-N 3.27Å; F553-I557 VanDerWaalsContact O-N 3.13Å; I557-N559 PolarHBondContact O-N 3.2Å |
| 558 | L | 52.8 | Low | 67 | Low | 152 Ų | 152 | 62.3 Ų | 62.3 | 80% | 0.796 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.9 | -167.4 | -84.5 | 170.5 | 0 | 0 | 0 | 117.3 | S556 | S556-L558 PolarHBondContact O-N 2.89Š|
| 559 | N | 54.7 | Low | 67.1 | Low | 163 Ų | 163 | 63.4 Ų | 63.4 | 87% | 0.872 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.7 | -22.4 | -178.9 | -103.7 | -36.4 | 0 | 0 | 0 | 120 | I557 | I557-N559 PolarHBondContact O-N 3.2Š|
| 560 | D | 65.7 | Low | 67.1 | Low | 78 Ų | 78 | 69.3 Ų | 69.3 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -120.8 | 89.4 | -167.8 | -166.8 | -18.5 | 0 | 0 | 0 | 114.8 | I562 M563 E564 | D560-I562 PolarHBondContact O-N 2.94Å; D560-I562 WeakPolarHBondContact OD1-CA 3.48Å; D560-I562 WeakPolarHBondContact OD1-CB 3.41Å; D560-I562 PolarHBondContact OD1-N 2.97Å; D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 4.26Å; D560-M563 PolarHBondContact O-N 3.27Å; D560-M563 PolarHBondContact OD1-N 3.17Å; D560-M563 WeakPolarHBondContact OD2-CG 3.29Å; D560-E564 WeakPolarHBondContact O-CB 3.32Å; D560-E564 PolarHBondContact O-N 3.09Å | ||
| 561 | S | 65.3 | Low | 67.2 | Low | 41 Ų | 41 | 67.6 Ų | 67.6 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -19.8 | 175.5 | 64 | 0 | 0 | 0 | 0 | 115.1 | E564 M565 | S561-E564 WeakPolarHBondContact O-CB 3.15Å; S561-M565 PolarHBondContact O-N 3.07Å |
| 562 | I | 66.8 | Low | 67.4 | Low | 104 Ų | 104 | 66.4 Ų | 66.4 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -80.9 | -41.8 | -179.4 | -57.8 | 173.9 | 0 | 0 | 0 | 109.4 | D560 E564 K566 | D560-I562 PolarHBondContact O-N 2.94Å; D560-I562 WeakPolarHBondContact OD1-CA 3.48Å; D560-I562 WeakPolarHBondContact OD1-CB 3.41Å; D560-I562 PolarHBondContact OD1-N 2.97Å; I562-E564 VanDerWaalsContact C-N 3.35Å; I562-K566 WeakPolarHBondContact O-CG 3.44Å; I562-K566 PolarHBondContact O-N 2.95Å; I562-K566 VanDerWaalsContact O-N 3.12Å |
| 563 | M | 64.9 | Low | 67.9 | Low | 96 Ų | 96 | 71.9 Ų | 71.9 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 167.1 | -73.7 | -79.7 | -84.2 | 0 | 0 | 111 | D560 M565 K566 I567 | D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 4.26Å; D560-M563 PolarHBondContact O-N 3.27Å; D560-M563 PolarHBondContact OD1-N 3.17Å; D560-M563 WeakPolarHBondContact OD2-CG 3.29Å; M563-M565 VanDerWaalsContact C-N 3.34Å; M563-M565 PolarHBondContact O-N 3.4Å; M563-K566 PolarHBondContact O-N 3.28Å; M563-I567 WeakPolarHBondContact O-CG1 3.19Å; M563-I567 PolarHBondContact O-N 3.35Å |
| 564 | E | 67.3 | Low | 68.5 | Low | 25 Ų | 25 | 79.8 Ų | 79.8 | 12% | 0.117 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.1 | -49.4 | 176 | -148.7 | -175.8 | 149.3 | 0 | 0 | 111.3 | F553 D560 S561 I562 I567 W568 L588 | F553-E564 HydrophobicContact CD2-CG 4.42Å; F553-E564 HydrophobicContact CE1-CG 4.34Å; F553-E564 HydrophobicContact CE2-CB 4.34Å; F553-E564 HydrophobicContact CE2-CG 3.27Å; F553-E564 HydrophobicContact CZ-CG 3.21Å; F553-E564 WeakPolarHBondContact CZ-OE1 3.41Å; D560-E564 WeakPolarHBondContact O-CB 3.32Å; D560-E564 PolarHBondContact O-N 3.09Å; S561-E564 WeakPolarHBondContact O-CB 3.15Å; I562-E564 VanDerWaalsContact C-N 3.35Å; E564-I567 PolarHBondContact O-N 3.41Å; E564-W568 PolarHBondContact O-N 3.49Å; E564-L588 HydrophobicContact CB-CD1 4Å; E564-L588 HydrophobicContact CB-CD2 4.29Å; E564-L588 HydrophobicContact CG-CD1 3.66Å; E564-L588 HydrophobicContact CG-CD2 4.15Å; E564-L588 HydrophobicContact CG-CG 4.47Å; E564-L588 WeakPolarHBondContact OE1-CD1 3.35Å; E564-L588 WeakPolarHBondContact OE1-CD2 3.4Å; E564-L588 VanDerWaalsContact OE2-CD2 3.29Å; E564-L588 WeakPolarHBondContact OE2-CD2 3.49Å |
| 565 | M | 71.3 | Confident | 69 | Low | 52 Ų | 52 | 78.9 Ų | 78.9 | 26% | 0.256 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 177.5 | -172.8 | 179.9 | 70 | 0 | 0 | 113.1 | S561 M563 I567 W568 T569 Y589 | S561-M565 PolarHBondContact O-N 3.07Å; M563-M565 VanDerWaalsContact C-N 3.34Å; M563-M565 PolarHBondContact O-N 3.4Å; M565-I567 VanDerWaalsContact C-N 3.28Å; M565-I567 PolarHBondContact O-N 3.28Å; M565-W568 PolarHBondContact O-N 3.11Å; M565-T569 PolarHBondContact O-N 2.92Å; M565-T569 PolarHBondContact O-OG1 2.92Å; M565-Y589 HydrophobicContact SD-CE1 3.59Å; M565-Y589 VanDerWaalsContact SD-CE1 3.59Å |
| 566 | K | 75.4 | Confident | 70 | Confident | 124 Ų | 124 | 79 Ų | 79 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -32.1 | 178.8 | -77.9 | 177.7 | 178.9 | 178.1 | 0 | 113.1 | I562 M563 T569 K570 | I562-K566 WeakPolarHBondContact O-CG 3.44Å; I562-K566 PolarHBondContact O-N 2.95Å; I562-K566 VanDerWaalsContact O-N 3.12Å; M563-K566 PolarHBondContact O-N 3.28Å; K566-T569 WeakPolarHBondContact CA-OG1 3.44Å; K566-T569 PolarHBondContact O-OG1 3.46Å; K566-K570 PolarHBondContact O-N 3.38Å |
| 567 | I | 69.8 | Low | 71 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.5 | -46.3 | 176.3 | -67.5 | 165.1 | 0 | 0 | 0 | 110.1 | L549 F553 M563 E564 M565 T569 K570 L571 | L549-I567 HydrophobicContact CD2-CG2 3.75Å; L549-I567 HydrophobicContact CG-CG2 4.43Å; F553-I567 HydrophobicContact CD2-CG2 4.31Å; M563-I567 WeakPolarHBondContact O-CG1 3.19Å; M563-I567 PolarHBondContact O-N 3.35Å; E564-I567 PolarHBondContact O-N 3.41Å; M565-I567 VanDerWaalsContact C-N 3.28Å; M565-I567 PolarHBondContact O-N 3.28Å; I567-T569 PolarHBondContact O-N 3.08Å; I567-K570 PolarHBondContact O-N 2.87Å; I567-L571 HydrophobicContact CG2-CD1 4.33Å; I567-L571 PolarHBondContact O-N 3.05Å |
| 568 | W | 80 | Confident | 72.5 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 2% | 0.019 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 177.6 | -66 | 118.9 | 0 | 0 | 0 | 113.7 | F553 E564 M565 L571 I572 L580 A581 K584 R585 L588 | F553-W568 HydrophobicContact CD1-CZ2 4.11Å; F553-W568 AromaticContact CD2-CZ2 3.99Å; F553-W568 HydrophobicContact CD2-CZ2 3.99Å; F553-W568 AromaticContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE2-CD2 4.45Å; F553-W568 AromaticContact CE2-CE2 3.4Å; F553-W568 VanDerWaalsContact CE2-CE2 3.4Å; F553-W568 AromaticContact CE2-CZ2 3.51Å; F553-W568 HydrophobicContact CE2-CZ2 3.51Å; F553-W568 AromaticContact CE2-NE1 3.12Å; F553-W568 HydrophobicContact CG-CZ2 4.26Å; F553-W568 AromaticContact CZ-CE2 3.47Å; F553-W568 VanDerWaalsContact CZ-CE2 3.47Å; F553-W568 AromaticContact CZ-CZ2 3.36Å; F553-W568 HydrophobicContact CZ-CZ2 3.36Å; F553-W568 AromaticContact CZ-NE1 3.11Å; E564-W568 PolarHBondContact O-N 3.49Å; M565-W568 PolarHBondContact O-N 3.11Å; W568-L571 HydrophobicContact CD2-CD1 4.42Å; W568-L571 HydrophobicContact CE3-CB 4.47Å; W568-L571 HydrophobicContact CE3-CD1 3.42Å; W568-L571 VanDerWaalsContact CE3-CD1 3.42Å; W568-L571 HydrophobicContact CH2-CD1 4.36Å; W568-L571 HydrophobicContact CZ3-CD1 3.4Å; W568-L571 VanDerWaalsContact CZ3-CD1 3.4Å; W568-L571 PolarHBondContact O-N 2.94Å; W568-I572 WeakPolarHBondContact O-CB 3.35Å; W568-I572 WeakPolarHBondContact O-CD1 3.16Å; W568-I572 VanDerWaalsContact O-CG1 3.3Å; W568-I572 WeakPolarHBondContact O-CG1 3.5Å; W568-I572 PolarHBondContact O-N 3.08Å; W568-L580 HydrophobicContact CH2-CD2 4.1Å; W568-L580 HydrophobicContact CZ3-CD2 4.3Å; W568-A581 HydrophobicContact CE3-CB 3.54Å; W568-A581 HydrophobicContact CZ3-CB 3.95Å; W568-K584 HydrophobicContact CD2-CB 3.83Å; W568-K584 HydrophobicContact CE3-CB 4.33Å; W568-K584 HydrophobicContact CG-CB 4.4Å; W568-K584 HydrophobicContact CH2-CB 4.04Å; W568-K584 HydrophobicContact CH2-CG 3.76Å; W568-K584 HydrophobicContact CZ2-CB 3.47Å; W568-K584 VanDerWaalsContact CZ2-CB 3.47Å; W568-K584 HydrophobicContact CZ2-CD 4.37Å; W568-K584 HydrophobicContact CZ2-CG 3.52Å; W568-K584 HydrophobicContact CZ3-CB 4.41Å; W568-K584 HydrophobicContact CZ3-CG 4.36Å; W568-R585 HydrophobicContact CB-CB 4Å; W568-R585 HydrophobicContact CB-CG 4.22Å; W568-R585 HydrophobicContact CG-CB 4.44Å; W568-L588 VanDerWaalsContact CD1-CD1 3.44Å |
| 569 | T | 83.2 | Confident | 73.8 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -51.5 | 171.1 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | M565 K566 I567 L571 I572 D573 | M565-T569 PolarHBondContact O-N 2.92Å; M565-T569 PolarHBondContact O-OG1 2.92Å; K566-T569 WeakPolarHBondContact CA-OG1 3.44Å; K566-T569 PolarHBondContact O-OG1 3.46Å; I567-T569 PolarHBondContact O-N 3.08Å; T569-L571 VanDerWaalsContact C-N 3.34Å; T569-L571 PolarHBondContact O-N 3.5Å; T569-I572 WeakPolarHBondContact O-CB 3.27Å; T569-I572 PolarHBondContact O-N 3.2Å; T569-D573 PolarHBondContact O-N 3.49Å; T569-D573 VanDerWaalsContact O-OD2 3.07Å |
| 570 | K | 76 | Confident | 75.1 | Confident | 139 Ų | 139 | 69.5 Ų | 69.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 179.6 | -72.9 | -172.4 | 174.9 | -169.9 | 0 | 113 | K566 I567 I572 D573 Y574 | K566-K570 PolarHBondContact O-N 3.38Å; I567-K570 PolarHBondContact O-N 2.87Å; K570-I572 VanDerWaalsContact C-N 3.33Å; K570-I572 PolarHBondContact O-N 2.83Å; K570-D573 PolarHBondContact O-N 3.02Å; K570-Y574 WeakPolarHBondContact O-CD2 3.3Å; K570-Y574 PolarHBondContact O-N 3.03Å |
| 571 | L | 72.9 | Confident | 75.9 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 173.5 | -82.7 | 172.8 | 0 | 0 | 0 | 112.8 | L546 L549 I567 W568 T569 Y574 N575 A581 | L546-L571 HydrophobicContact CD1-CD2 4.17Å; L546-L571 HydrophobicContact CG-CD2 4.39Å; L549-L571 HydrophobicContact CD1-CD2 4.2Å; L549-L571 HydrophobicContact CD1-CG 4.44Å; L549-L571 HydrophobicContact CD2-CD1 3.73Å; L549-L571 HydrophobicContact CD2-CD2 4.36Å; L549-L571 HydrophobicContact CD2-CG 4.27Å; I567-L571 HydrophobicContact CG2-CD1 4.33Å; I567-L571 PolarHBondContact O-N 3.05Å; W568-L571 HydrophobicContact CD2-CD1 4.42Å; W568-L571 HydrophobicContact CE3-CB 4.47Å; W568-L571 HydrophobicContact CE3-CD1 3.42Å; W568-L571 VanDerWaalsContact CE3-CD1 3.42Å; W568-L571 HydrophobicContact CH2-CD1 4.36Å; W568-L571 HydrophobicContact CZ3-CD1 3.4Å; W568-L571 VanDerWaalsContact CZ3-CD1 3.4Å; W568-L571 PolarHBondContact O-N 2.94Å; T569-L571 VanDerWaalsContact C-N 3.34Å; T569-L571 PolarHBondContact O-N 3.5Å; L571-Y574 PolarHBondContact O-N 3.32Å; L571-N575 PolarHBondContact O-N 3.49Å; L571-A581 HydrophobicContact CB-CB 4.37Å |
| 572 | I | 81.7 | Confident | 77 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -34.1 | 175.9 | -72.7 | 162.8 | 0 | 0 | 0 | 111.1 | W568 T569 K570 N575 P576 A581 Y582 R585 | W568-I572 WeakPolarHBondContact O-CB 3.35Å; W568-I572 WeakPolarHBondContact O-CD1 3.16Å; W568-I572 VanDerWaalsContact O-CG1 3.3Å; W568-I572 WeakPolarHBondContact O-CG1 3.5Å; W568-I572 PolarHBondContact O-N 3.08Å; T569-I572 WeakPolarHBondContact O-CB 3.27Å; T569-I572 PolarHBondContact O-N 3.2Å; K570-I572 VanDerWaalsContact C-N 3.33Å; K570-I572 PolarHBondContact O-N 2.83Å; I572-N575 CarbonylContact O-C 3.57Å; I572-N575 VanDerWaalsContact O-C 3.28Å; I572-P576 WeakPolarHBondContact O-CA 3.09Å; I572-P576 WeakPolarHBondContact O-CD 3.33Å; I572-P576 WeakPolarHBondContact O-CG 3.45Å; I572-P576 VanDerWaalsContact O-N 3.15Å; I572-A581 HydrophobicContact CD1-CB 4.2Å; I572-A581 HydrophobicContact CG1-CB 3.76Å; I572-Y582 HydrophobicContact CB-CE1 4.49Å; I572-Y582 HydrophobicContact CD1-CD1 3.58Å; I572-Y582 HydrophobicContact CD1-CE1 3.68Å; I572-Y582 HydrophobicContact CD1-CG 4.14Å; I572-Y582 HydrophobicContact CG1-CD1 4.22Å; I572-Y582 HydrophobicContact CG1-CE1 4.02Å; I572-Y582 HydrophobicContact CG2-CE1 3.66Å; I572-Y582 WeakPolarHBondContact CG2-OH 3.42Å; I572-R585 VanDerWaalsContact CD1-CZ 3.42Å |
| 573 | D | 80.3 | Confident | 77.9 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 174.4 | -55.3 | -34.9 | 0 | 0 | 0 | 111.4 | T569 K570 | T569-D573 PolarHBondContact O-N 3.49Å; T569-D573 VanDerWaalsContact O-OD2 3.07Å; K570-D573 PolarHBondContact O-N 3.02Å |
| 574 | Y | 73.8 | Confident | 78.7 | Confident | 183 Ų | 183 | 61.5 Ų | 61.5 | 72% | 0.718 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -75.1 | -37.3 | 174 | -75.3 | -58 | 0 | 0 | 0 | 113.9 | K570 L571 | K570-Y574 WeakPolarHBondContact O-CD2 3.3Å; K570-Y574 PolarHBondContact O-N 3.03Å; L571-Y574 PolarHBondContact O-N 3.32Å |
| 575 | N | 74.8 | Confident | 79.7 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | trans | -138.8 | 91.2 | 176.6 | -173.9 | 8.7 | 0 | 0 | 0 | 112.2 | L571 I572 T577 Y578 | L571-N575 PolarHBondContact O-N 3.49Å; I572-N575 CarbonylContact O-C 3.57Å; I572-N575 VanDerWaalsContact O-C 3.28Å; N575-T577 PolarHBondContact O-N 2.94Å; N575-T577 PolarHBondContact OD1-N 3.47Å; N575-T577 PolarHBondContact OD1-OG1 3.3Å; N575-Y578 WeakPolarHBondContact O-CB 3.47Å; N575-Y578 PolarHBondContact O-N 3.29Å; N575-Y578 VanDerWaalsContact O-N 3.14Å | ||
| 576 | P | 81.1 | Confident | 80.4 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.7 | 179.2 | -25.5 | 35.5 | 0 | 0 | 0 | 115.9 | I572 Y582 | I572-P576 WeakPolarHBondContact O-CA 3.09Å; I572-P576 WeakPolarHBondContact O-CD 3.33Å; I572-P576 WeakPolarHBondContact O-CG 3.45Å; I572-P576 VanDerWaalsContact O-N 3.15Å; P576-Y582 WeakPolarHBondContact O-CE2 3.4Å; P576-Y582 PolarHBondContact O-OH 2.9Å |
| 577 | T | 82.1 | Confident | 80.8 | Confident | 93 Ų | 93 | 56 Ų | 56 | 57% | 0.571 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1.9 | 176.7 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | N575 E579 L608 | N575-T577 PolarHBondContact O-N 2.94Å; N575-T577 PolarHBondContact OD1-N 3.47Å; N575-T577 PolarHBondContact OD1-OG1 3.3Å; T577-E579 PolarHBondContact O-N 2.92Å; T577-L608 HydrophobicContact CG2-CD2 4.46Å |
| 578 | Y | 81.8 | Confident | 81.4 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | trans | -79.2 | 90.4 | -172 | -166.6 | -146.5 | 0 | 0 | 0 | 113.1 | E550 N575 L580 A581 Y582 | E550-Y578 PolarHBondContact OE1-OH 3.46Å; N575-Y578 WeakPolarHBondContact O-CB 3.47Å; N575-Y578 PolarHBondContact O-N 3.29Å; N575-Y578 VanDerWaalsContact O-N 3.14Å; Y578-L580 VanDerWaalsContact C-N 3.26Å; Y578-L580 HydrophobicContact CD2-CB 4.5Å; Y578-L580 HydrophobicContact CE1-CB 4.5Å; Y578-L580 HydrophobicContact CE2-CB 3.94Å; Y578-L580 PolarHBondContact O-N 3.09Å; Y578-A581 HydrophobicContact CD1-CB 3.54Å; Y578-A581 HydrophobicContact CE1-CB 4.16Å; Y578-A581 HydrophobicContact CG-CB 4.23Å; Y578-A581 PolarHBondContact O-N 3.39Å; Y578-A581 VanDerWaalsContact O-N 3.08Å; Y578-Y582 PolarHBondContact O-N 3.02Å | ||
| 579 | E | 81.7 | Confident | 81.8 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.271 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -47.4 | -45.8 | -178.4 | -176.7 | 174.3 | -177.4 | 0 | 0 | 112.7 | T577 A581 Y582 E583 I605 N609 S612 | T577-E579 PolarHBondContact O-N 2.92Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.19Å; E579-Y582 PolarHBondContact O-N 2.94Å; E579-E583 PolarHBondContact O-N 3.08Å; E579-I605 HydrophobicContact CG-CG1 4.31Å; E579-I605 HydrophobicContact CG-CG2 3.91Å; E579-I605 WeakPolarHBondContact OE1-CG2 3.44Å; E579-N609 PolarHBondContact OE1-ND2 3.35Å; E579-N609 VanDerWaalsContact OE1-ND2 3.12Å; E579-N609 WeakPolarHBondContact OE2-CB 3.44Å; E579-N609 PolarHBondContact OE2-ND2 3.41Å; E579-S612 WeakPolarHBondContact OE1-CB 3.44Å; E579-S612 PolarHBondContact OE1-OG 3.47Å |
| 580 | L | 81.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 56 Ų | 56 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | -176.4 | -169.7 | 146.4 | 0 | 0 | 0 | 112.4 | W568 Y578 E583 K584 | W568-L580 HydrophobicContact CH2-CD2 4.1Å; W568-L580 HydrophobicContact CZ3-CD2 4.3Å; Y578-L580 VanDerWaalsContact C-N 3.26Å; Y578-L580 HydrophobicContact CD2-CB 4.5Å; Y578-L580 HydrophobicContact CE1-CB 4.5Å; Y578-L580 HydrophobicContact CE2-CB 3.94Å; Y578-L580 PolarHBondContact O-N 3.09Å; L580-E583 PolarHBondContact O-N 3.11Å; L580-K584 HydrophobicContact CD2-CG 3.8Å; L580-K584 HydrophobicContact CG-CG 4.45Å; L580-K584 VanDerWaalsContact O-CG 3.26Å; L580-K584 WeakPolarHBondContact O-CG 3.45Å; L580-K584 PolarHBondContact O-N 2.81Å |
| 581 | A | 82.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W568 L571 I572 Y578 E579 R585 | W568-A581 HydrophobicContact CE3-CB 3.54Å; W568-A581 HydrophobicContact CZ3-CB 3.95Å; L571-A581 HydrophobicContact CB-CB 4.37Å; I572-A581 HydrophobicContact CD1-CB 4.2Å; I572-A581 HydrophobicContact CG1-CB 3.76Å; Y578-A581 HydrophobicContact CD1-CB 3.54Å; Y578-A581 HydrophobicContact CE1-CB 4.16Å; Y578-A581 HydrophobicContact CG-CB 4.23Å; Y578-A581 PolarHBondContact O-N 3.39Å; Y578-A581 VanDerWaalsContact O-N 3.08Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.19Å; A581-R585 WeakPolarHBondContact O-CB 3.41Å; A581-R585 PolarHBondContact O-N 3.47Å |
| 582 | Y | 87.2 | Confident | 82.3 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 170.4 | -69.3 | -67.3 | 0 | 0 | 0 | 111.5 | I572 P576 Y578 E579 R585 A586 D601 K604 L608 | I572-Y582 HydrophobicContact CB-CE1 4.49Å; I572-Y582 HydrophobicContact CD1-CD1 3.58Å; I572-Y582 HydrophobicContact CD1-CE1 3.68Å; I572-Y582 HydrophobicContact CD1-CG 4.14Å; I572-Y582 HydrophobicContact CG1-CD1 4.22Å; I572-Y582 HydrophobicContact CG1-CE1 4.02Å; I572-Y582 HydrophobicContact CG2-CE1 3.66Å; I572-Y582 WeakPolarHBondContact CG2-OH 3.42Å; P576-Y582 WeakPolarHBondContact O-CE2 3.4Å; P576-Y582 PolarHBondContact O-OH 2.9Å; Y578-Y582 PolarHBondContact O-N 3.02Å; E579-Y582 PolarHBondContact O-N 2.94Å; Y582-R585 PolarHBondContact O-N 3.38Å; Y582-A586 WeakPolarHBondContact O-CB 3.19Å; Y582-A586 PolarHBondContact O-N 3.24Å; Y582-D601 HydrophobicContact CD1-CB 4.3Å; Y582-K604 HydrophobicContact CD1-CB 4.29Å; Y582-K604 HydrophobicContact CD1-CD 4.02Å; Y582-K604 HydrophobicContact CE1-CB 4.3Å; Y582-K604 HydrophobicContact CE1-CD 3.41Å; Y582-K604 VanDerWaalsContact CE1-CD 3.41Å; Y582-K604 HydrophobicContact CE1-CG 4.5Å; Y582-K604 HydrophobicContact CG-CB 4.46Å; Y582-L608 HydrophobicContact CD2-CD1 3.87Å; Y582-L608 HydrophobicContact CE2-CD1 3.88Å |
| 583 | E | 85.6 | Confident | 82.1 | Confident | 46 Ų | 46 | 66 Ų | 66 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.9 | -171.4 | -174.6 | -141.9 | 0 | 0 | 111.2 | E579 L580 N587 I605 N614 | E579-E583 PolarHBondContact O-N 3.08Å; L580-E583 PolarHBondContact O-N 3.11Å; E583-N587 WeakPolarHBondContact O-CB 3.17Å; E583-N587 PolarHBondContact O-N 3.25Å; E583-N587 PolarHBondContact O-ND2 3.22Å; E583-I605 HydrophobicContact CB-CD1 3.94Å; E583-N614 PolarHBondContact OE1-ND2 2.68Å |
| 584 | K | 83 | Confident | 82.3 | Confident | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.8 | -61 | -66.1 | 177.7 | -170 | 0 | 111.5 | W568 L580 N587 L588 | W568-K584 HydrophobicContact CD2-CB 3.83Å; W568-K584 HydrophobicContact CE3-CB 4.33Å; W568-K584 HydrophobicContact CG-CB 4.4Å; W568-K584 HydrophobicContact CH2-CB 4.04Å; W568-K584 HydrophobicContact CH2-CG 3.76Å; W568-K584 HydrophobicContact CZ2-CB 3.47Å; W568-K584 VanDerWaalsContact CZ2-CB 3.47Å; W568-K584 HydrophobicContact CZ2-CD 4.37Å; W568-K584 HydrophobicContact CZ2-CG 3.52Å; W568-K584 HydrophobicContact CZ3-CB 4.41Å; W568-K584 HydrophobicContact CZ3-CG 4.36Å; L580-K584 HydrophobicContact CD2-CG 3.8Å; L580-K584 HydrophobicContact CG-CG 4.45Å; L580-K584 VanDerWaalsContact O-CG 3.26Å; L580-K584 WeakPolarHBondContact O-CG 3.45Å; L580-K584 PolarHBondContact O-N 2.81Å; K584-N587 PolarHBondContact O-N 3.45Å; K584-L588 PolarHBondContact O-N 2.88Å |
| 585 | R | 86.7 | Confident | 82.6 | Confident | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 176.6 | -159.7 | 174.7 | 68.6 | -176 | 3.1 | 112.7 | W568 I572 A581 Y582 L588 Y589 D601 | W568-R585 HydrophobicContact CB-CB 4Å; W568-R585 HydrophobicContact CB-CG 4.22Å; W568-R585 HydrophobicContact CG-CB 4.44Å; I572-R585 VanDerWaalsContact CD1-CZ 3.42Å; A581-R585 WeakPolarHBondContact O-CB 3.41Å; A581-R585 PolarHBondContact O-N 3.47Å; Y582-R585 PolarHBondContact O-N 3.38Å; R585-L588 WeakPolarHBondContact O-CB 3.26Å; R585-L588 PolarHBondContact O-N 3.5Å; R585-Y589 HydrophobicContact CG-CD2 4.21Å; R585-Y589 HydrophobicContact CG-CE2 3.68Å; R585-Y589 VanDerWaalsContact O-CD2 3.26Å; R585-Y589 WeakPolarHBondContact O-CD2 3.49Å; R585-Y589 PolarHBondContact O-N 3.46Å; R585-D601 IonicContact CZ-OD1 3.25Å; R585-D601 IonicContact CZ-OD2 2.54Å; R585-D601 IonicContact NE-OD1 3.01Å; R585-D601 IonicContact NE-OD2 3.28Å; R585-D601 PolarHBondContact NE-OD2 3.38Å; R585-D601 VanDerWaalsContact NH2-CG 3.34Å; R585-D601 IonicContact NH2-OD1 2.88Å; R585-D601 PolarHBondContact NH2-OD1 3.44Å; R585-D601 IonicContact NH2-OD2 2.67Å; R585-D601 PolarHBondContact NH2-OD2 2.98Å; R585-D601 VanDerWaalsContact NH2-OD2 3.15Å |
| 586 | A | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y582 L588 Y589 L590 A598 D601 F602 | Y582-A586 WeakPolarHBondContact O-CB 3.19Å; Y582-A586 PolarHBondContact O-N 3.24Å; A586-L588 VanDerWaalsContact C-N 3.31Å; A586-L588 PolarHBondContact O-N 3.03Å; A586-Y589 PolarHBondContact O-N 3.27Å; A586-L590 WeakPolarHBondContact O-CG 3.36Å; A586-L590 PolarHBondContact O-N 3.3Å; A586-A598 WeakPolarHBondContact O-CB 3.35Å; A586-D601 HydrophobicContact CB-CB 3.82Å; A586-F602 HydrophobicContact CB-CD1 3.98Å; A586-F602 HydrophobicContact CB-CD2 4.08Å; A586-F602 HydrophobicContact CB-CE1 3.65Å; A586-F602 HydrophobicContact CB-CE2 3.75Å; A586-F602 HydrophobicContact CB-CG 4.17Å; A586-F602 HydrophobicContact CB-CZ 3.51Å |
| 587 | N | 84 | Confident | 83.2 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 174.4 | -78.8 | -60 | 0 | 0 | 0 | 112.8 | E583 K584 L590 K591 | E583-N587 WeakPolarHBondContact O-CB 3.17Å; E583-N587 PolarHBondContact O-N 3.25Å; E583-N587 PolarHBondContact O-ND2 3.22Å; K584-N587 PolarHBondContact O-N 3.45Å; N587-L590 PolarHBondContact O-N 3.39Å; N587-K591 WeakPolarHBondContact O-CG 3.31Å; N587-K591 PolarHBondContact O-N 3.3Å |
| 588 | L | 83.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 170.1 | -82.2 | 159.9 | 0 | 0 | 0 | 112.4 | E564 W568 K584 R585 A586 L590 K591 L592 | E564-L588 HydrophobicContact CB-CD1 4Å; E564-L588 HydrophobicContact CB-CD2 4.29Å; E564-L588 HydrophobicContact CG-CD1 3.66Å; E564-L588 HydrophobicContact CG-CD2 4.15Å; E564-L588 HydrophobicContact CG-CG 4.47Å; E564-L588 WeakPolarHBondContact OE1-CD1 3.35Å; E564-L588 WeakPolarHBondContact OE1-CD2 3.4Å; E564-L588 VanDerWaalsContact OE2-CD2 3.29Å; E564-L588 WeakPolarHBondContact OE2-CD2 3.49Å; W568-L588 VanDerWaalsContact CD1-CD1 3.44Å; K584-L588 PolarHBondContact O-N 2.88Å; R585-L588 WeakPolarHBondContact O-CB 3.26Å; R585-L588 PolarHBondContact O-N 3.5Å; A586-L588 VanDerWaalsContact C-N 3.31Å; A586-L588 PolarHBondContact O-N 3.03Å; L588-L590 PolarHBondContact O-N 2.9Å; L588-K591 HydrophobicContact CD2-CD 4.17Å; L588-K591 WeakPolarHBondContact O-CB 3.45Å; L588-K591 PolarHBondContact O-N 3.04Å; L588-K591 VanDerWaalsContact O-N 3.11Å; L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.12Å |
| 589 | Y | 86.8 | Confident | 83.7 | Confident | 26 Ų | 26 | 58 Ų | 58 | 10% | 0.102 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 173 | -68.7 | -45.9 | 0 | 0 | 0 | 112 | M565 R585 A586 L592 K593 M594 Q597 D601 | M565-Y589 HydrophobicContact SD-CE1 3.59Å; M565-Y589 VanDerWaalsContact SD-CE1 3.59Å; R585-Y589 HydrophobicContact CG-CD2 4.21Å; R585-Y589 HydrophobicContact CG-CE2 3.68Å; R585-Y589 VanDerWaalsContact O-CD2 3.26Å; R585-Y589 WeakPolarHBondContact O-CD2 3.49Å; R585-Y589 PolarHBondContact O-N 3.46Å; A586-Y589 PolarHBondContact O-N 3.27Å; Y589-L592 CarbonylContact O-C 3.58Å; Y589-L592 PolarHBondContact O-N 2.92Å; Y589-K593 CarbonylContact O-C 3.55Å; Y589-K593 PolarHBondContact O-N 3.41Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; Y589-M594 HydrophobicContact CD1-CB 3.97Å; Y589-M594 HydrophobicContact CD1-SD 4.03Å; Y589-M594 HydrophobicContact CE1-SD 4.39Å; Y589-M594 HydrophobicContact CG-CB 4.43Å; Y589-M594 PolarHBondContact O-N 2.65Å; Y589-Q597 HydrophobicContact CD1-CB 3.8Å; Y589-Q597 VanDerWaalsContact CD2-C 3.49Å; Y589-Q597 HydrophobicContact CD2-CB 3.64Å; Y589-Q597 HydrophobicContact CE1-CB 3.94Å; Y589-Q597 HydrophobicContact CE2-CB 3.76Å; Y589-Q597 HydrophobicContact CG-CB 3.66Å; Y589-D601 WeakPolarHBondContact CE2-OD2 3.36Å |
| 590 | L | 82.2 | Confident | 84.1 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 170.7 | -68.9 | -178.8 | 0 | 0 | 0 | 112.7 | A586 N587 L588 L592 K593 Y595 A598 F602 | A586-L590 WeakPolarHBondContact O-CG 3.36Å; A586-L590 PolarHBondContact O-N 3.3Å; N587-L590 PolarHBondContact O-N 3.39Å; L588-L590 PolarHBondContact O-N 2.9Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 3.42Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.11Å; L590-Y595 HydrophobicContact CD2-CD1 3.88Å; L590-Y595 HydrophobicContact CD2-CE1 4.32Å; L590-A598 HydrophobicContact CD2-CB 3.73Å; L590-A598 HydrophobicContact CG-CB 3.89Å; L590-F602 HydrophobicContact CD1-CE2 3.86Å; L590-F602 HydrophobicContact CD1-CZ 3.91Å; L590-F602 HydrophobicContact CG-CE2 4.18Å |
| 591 | K | 79.7 | Confident | 84.4 | Confident | 146 Ų | 146 | 55.4 Ų | 55.4 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.9 | -41.2 | 174.2 | -71.9 | 175.1 | -178.6 | 176 | 0 | 111.8 | N587 L588 K593 | N587-K591 WeakPolarHBondContact O-CG 3.31Å; N587-K591 PolarHBondContact O-N 3.3Å; L588-K591 HydrophobicContact CD2-CD 4.17Å; L588-K591 WeakPolarHBondContact O-CB 3.45Å; L588-K591 PolarHBondContact O-N 3.04Å; L588-K591 VanDerWaalsContact O-N 3.11Å; K591-K593 PolarHBondContact O-N 3.31Å |
| 592 | L | 80.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 2.1 | 179.1 | -65.2 | 171.6 | 0 | 0 | 0 | 113.7 | L588 Y589 L590 M594 | L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.12Å; Y589-L592 CarbonylContact O-C 3.58Å; Y589-L592 PolarHBondContact O-N 2.92Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 3.42Å; L592-M594 HydrophobicContact CB-CG 3.8Å; L592-M594 HydrophobicContact CB-SD 4.01Å; L592-M594 HydrophobicContact CD1-SD 4.12Å; L592-M594 PolarHBondContact O-N 2.96Å |
| 593 | K | 78.6 | Confident | 84.8 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 18 | -173.2 | -52.6 | -178.3 | -178.5 | 178.4 | 0 | 114.8 | Y589 L590 K591 Y595 | Y589-K593 CarbonylContact O-C 3.55Å; Y589-K593 PolarHBondContact O-N 3.41Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.11Å; K591-K593 PolarHBondContact O-N 3.31Å; K593-Y595 HydrophobicContact CB-CE2 3.8Å; K593-Y595 HydrophobicContact CG-CE2 4.49Å; K593-Y595 WeakPolarHBondContact O-CD2 3.48Å; K593-Y595 WeakPolarHBondContact O-CE2 3.21Å; K593-Y595 PolarHBondContact O-N 3.44Å |
| 594 | M | 83.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | trans | -82.8 | 55.3 | 178.4 | -55.7 | -176.8 | 91.7 | 0 | 0 | 110.7 | Y589 L592 H596 Q597 A598 | Y589-M594 HydrophobicContact CD1-CB 3.97Å; Y589-M594 HydrophobicContact CD1-SD 4.03Å; Y589-M594 HydrophobicContact CE1-SD 4.39Å; Y589-M594 HydrophobicContact CG-CB 4.43Å; Y589-M594 PolarHBondContact O-N 2.65Å; L592-M594 HydrophobicContact CB-CG 3.8Å; L592-M594 HydrophobicContact CB-SD 4.01Å; L592-M594 HydrophobicContact CD1-SD 4.12Å; L592-M594 PolarHBondContact O-N 2.96Å; M594-H596 VanDerWaalsContact C-N 3.26Å; M594-H596 PolarHBondContact O-N 3.26Å; M594-H596 VanDerWaalsContact O-N 3.08Å; M594-Q597 HydrophobicContact CB-CB 4.41Å; M594-Q597 PolarHBondContact O-N 2.97Å; M594-Q597 PolarHBondContact SD-OE1 3.48Å; M594-A598 PolarHBondContact O-N 3.48Å; M594-A598 VanDerWaalsContact O-N 3.17Å | ||
| 595 | Y | 80.4 | Confident | 85.2 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.7 | -35.9 | -166 | -59.8 | -70.5 | 0 | 0 | 0 | 114.6 | L590 K593 A598 Y599 Y622 | L590-Y595 HydrophobicContact CD2-CD1 3.88Å; L590-Y595 HydrophobicContact CD2-CE1 4.32Å; K593-Y595 HydrophobicContact CB-CE2 3.8Å; K593-Y595 HydrophobicContact CG-CE2 4.49Å; K593-Y595 WeakPolarHBondContact O-CD2 3.48Å; K593-Y595 WeakPolarHBondContact O-CE2 3.21Å; K593-Y595 PolarHBondContact O-N 3.44Å; Y595-A598 PolarHBondContact O-N 3.02Å; Y595-Y599 WeakPolarHBondContact O-CB 3.48Å; Y595-Y599 PolarHBondContact O-N 3.5Å; Y595-Y622 WeakPolarHBondContact O-CE2 3.31Å |
| 596 | H | 83.9 | Confident | 85.2 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.7 | -169.5 | -53.5 | 0 | 0 | 0 | 112.5 | M594 Y599 T600 Y622 | M594-H596 VanDerWaalsContact C-N 3.26Å; M594-H596 PolarHBondContact O-N 3.26Å; M594-H596 VanDerWaalsContact O-N 3.08Å; H596-Y599 PolarHBondContact O-N 2.9Å; H596-T600 PolarHBondContact O-N 3.41Å; H596-T600 PolarHBondContact O-OG1 2.9Å; H596-Y622 WeakPolarHBondContact CA-OH 3.21Å; H596-Y622 PolarHBondContact CD2-OH 3.47Å; H596-Y622 VanDerWaalsContact CD2-OH 3.27Å |
| 597 | Q | 85.3 | Confident | 85.2 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.2 | -38 | 179.7 | -65.8 | 174.1 | -14.1 | 0 | 0 | 110.6 | Y589 M594 Y599 T600 D601 | Y589-Q597 HydrophobicContact CD1-CB 3.8Å; Y589-Q597 VanDerWaalsContact CD2-C 3.49Å; Y589-Q597 HydrophobicContact CD2-CB 3.64Å; Y589-Q597 HydrophobicContact CE1-CB 3.94Å; Y589-Q597 HydrophobicContact CE2-CB 3.76Å; Y589-Q597 HydrophobicContact CG-CB 3.66Å; M594-Q597 HydrophobicContact CB-CB 4.41Å; M594-Q597 PolarHBondContact O-N 2.97Å; M594-Q597 PolarHBondContact SD-OE1 3.48Å; Q597-Y599 VanDerWaalsContact C-N 3.35Å; Q597-Y599 PolarHBondContact O-N 3.31Å; Q597-T600 WeakPolarHBondContact CA-OG1 3.32Å; Q597-T600 PolarHBondContact O-N 3.18Å; Q597-T600 PolarHBondContact O-OG1 3.23Å; Q597-D601 PolarHBondContact O-N 2.94Å |
| 598 | A | 87.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56 | -48.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A586 L590 M594 Y595 T600 D601 F602 | A586-A598 WeakPolarHBondContact O-CB 3.35Å; L590-A598 HydrophobicContact CD2-CB 3.73Å; L590-A598 HydrophobicContact CG-CB 3.89Å; M594-A598 PolarHBondContact O-N 3.48Å; M594-A598 VanDerWaalsContact O-N 3.17Å; Y595-A598 PolarHBondContact O-N 3.02Å; A598-T600 PolarHBondContact O-N 2.7Å; A598-D601 PolarHBondContact O-N 3.49Å; A598-F602 HydrophobicContact CB-CD2 4.35Å; A598-F602 HydrophobicContact CB-CE2 4.05Å; A598-F602 WeakPolarHBondContact O-CD2 3.23Å; A598-F602 PolarHBondContact O-N 2.89Å |
| 599 | Y | 88.1 | Confident | 85.2 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 177.6 | 175.2 | -106.4 | 0 | 0 | 0 | 113.1 | Y595 H596 Q597 D601 F602 M603 C619 Y622 K623 | Y595-Y599 WeakPolarHBondContact O-CB 3.48Å; Y595-Y599 PolarHBondContact O-N 3.5Å; H596-Y599 PolarHBondContact O-N 2.9Å; Q597-Y599 VanDerWaalsContact C-N 3.35Å; Q597-Y599 PolarHBondContact O-N 3.31Å; Y599-D601 VanDerWaalsContact C-N 3.28Å; Y599-D601 PolarHBondContact O-N 3.22Å; Y599-F602 PolarHBondContact O-N 3.23Å; Y599-M603 HydrophobicContact CD1-CG 4.27Å; Y599-M603 HydrophobicContact CD2-CG 4.18Å; Y599-M603 HydrophobicContact CE1-CG 3.81Å; Y599-M603 HydrophobicContact CE1-SD 4.5Å; Y599-M603 HydrophobicContact CE2-CG 3.74Å; Y599-M603 HydrophobicContact CE2-SD 3.91Å; Y599-M603 HydrophobicContact CG-CG 4.44Å; Y599-M603 WeakPolarHBondContact O-CB 3.37Å; Y599-M603 VanDerWaalsContact O-CG 3.27Å; Y599-M603 WeakPolarHBondContact O-CG 3.49Å; Y599-M603 PolarHBondContact O-N 3.31Å; Y599-M603 PolarHBondContact OH-SD 2.85Å; Y599-C619 HydrophobicContact CD2-CB 4.39Å; Y599-C619 HydrophobicContact CE2-CB 4.11Å; Y599-Y622 AromaticContact CD1-CD1 3.8Å; Y599-Y622 HydrophobicContact CD1-CD1 3.8Å; Y599-Y622 AromaticContact CD1-CE1 3.41Å; Y599-Y622 HydrophobicContact CD1-CE1 3.41Å; Y599-Y622 VanDerWaalsContact CD1-CE1 3.41Å; Y599-Y622 AromaticContact CD2-CD1 3.22Å; Y599-Y622 HydrophobicContact CD2-CD1 3.22Å; Y599-Y622 AromaticContact CD2-CE1 3.8Å; Y599-Y622 HydrophobicContact CD2-CE1 3.8Å; Y599-Y622 AromaticContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CE1-CD1 4.29Å; Y599-Y622 AromaticContact CE1-CE1 3.98Å; Y599-Y622 HydrophobicContact CE1-CE1 3.98Å; Y599-Y622 AromaticContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CE1 4.29Å; Y599-Y622 AromaticContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD2 4.44Å; Y599-Y622 AromaticContact CG-CE1 3.31Å; Y599-Y622 HydrophobicContact CG-CE1 3.31Å; Y599-Y622 AromaticContact CG-CG 3.82Å; Y599-Y622 HydrophobicContact CG-CG 3.82Å; Y599-Y622 AromaticContact CG-CZ 3.98Å; Y599-K623 WeakPolarHBondContact OH-CE 3.43Å; Y599-K623 PolarHBondContact OH-NZ 3.19Å |
| 600 | T | 88.4 | Confident | 84.9 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 176.7 | 46 | 0 | 0 | 0 | 0 | 113.3 | H596 Q597 A598 K604 | H596-T600 PolarHBondContact O-N 3.41Å; H596-T600 PolarHBondContact O-OG1 2.9Å; Q597-T600 WeakPolarHBondContact CA-OG1 3.32Å; Q597-T600 PolarHBondContact O-N 3.18Å; Q597-T600 PolarHBondContact O-OG1 3.23Å; A598-T600 PolarHBondContact O-N 2.7Å; T600-K604 WeakPolarHBondContact O-CG 3.27Å; T600-K604 PolarHBondContact O-N 3.31Å |
| 601 | D | 89.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79.8 | -37.8 | 174.9 | -77.7 | -15 | 0 | 0 | 0 | 112.2 | Y582 R585 A586 Y589 Q597 A598 Y599 M603 K604 I605 | Y582-D601 HydrophobicContact CD1-CB 4.3Å; R585-D601 IonicContact CZ-OD1 3.25Å; R585-D601 IonicContact CZ-OD2 2.54Å; R585-D601 IonicContact NE-OD1 3.01Å; R585-D601 IonicContact NE-OD2 3.28Å; R585-D601 PolarHBondContact NE-OD2 3.38Å; R585-D601 VanDerWaalsContact NH2-CG 3.34Å; R585-D601 IonicContact NH2-OD1 2.88Å; R585-D601 PolarHBondContact NH2-OD1 3.44Å; R585-D601 IonicContact NH2-OD2 2.67Å; R585-D601 PolarHBondContact NH2-OD2 2.98Å; R585-D601 VanDerWaalsContact NH2-OD2 3.15Å; A586-D601 HydrophobicContact CB-CB 3.82Å; Y589-D601 WeakPolarHBondContact CE2-OD2 3.36Å; Q597-D601 PolarHBondContact O-N 2.94Å; A598-D601 PolarHBondContact O-N 3.49Å; Y599-D601 VanDerWaalsContact C-N 3.28Å; Y599-D601 PolarHBondContact O-N 3.22Å; D601-M603 VanDerWaalsContact C-N 3.28Å; D601-M603 PolarHBondContact O-N 3.17Å; D601-K604 WeakPolarHBondContact O-CB 3.33Å; D601-K604 PolarHBondContact O-N 3.38Å; D601-I605 WeakPolarHBondContact O-CG1 3.01Å; D601-I605 PolarHBondContact O-N 3.3Å |
| 602 | F | 89.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -35.7 | 170.3 | -68.2 | -56.5 | 0 | 0 | 0 | 112.5 | A586 L590 A598 Y599 K604 I605 L606 A615 Q618 | A586-F602 HydrophobicContact CB-CD1 3.98Å; A586-F602 HydrophobicContact CB-CD2 4.08Å; A586-F602 HydrophobicContact CB-CE1 3.65Å; A586-F602 HydrophobicContact CB-CE2 3.75Å; A586-F602 HydrophobicContact CB-CG 4.17Å; A586-F602 HydrophobicContact CB-CZ 3.51Å; L590-F602 HydrophobicContact CD1-CE2 3.86Å; L590-F602 HydrophobicContact CD1-CZ 3.91Å; L590-F602 HydrophobicContact CG-CE2 4.18Å; A598-F602 HydrophobicContact CB-CD2 4.35Å; A598-F602 HydrophobicContact CB-CE2 4.05Å; A598-F602 WeakPolarHBondContact O-CD2 3.23Å; A598-F602 PolarHBondContact O-N 2.89Å; Y599-F602 PolarHBondContact O-N 3.23Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 3.23Å; F602-I605 HydrophobicContact CD1-CD1 3.89Å; F602-I605 HydrophobicContact CE1-CD1 4.43Å; F602-I605 PolarHBondContact O-N 3.09Å; F602-L606 WeakPolarHBondContact O-CG 3.43Å; F602-L606 PolarHBondContact O-N 3.46Å; F602-A615 HydrophobicContact CB-CB 4.25Å; F602-A615 HydrophobicContact CD1-CB 4Å; F602-Q618 HydrophobicContact CD1-CB 4.19Å; F602-Q618 HydrophobicContact CD2-CB 3.65Å; F602-Q618 HydrophobicContact CD2-CG 4.47Å; F602-Q618 HydrophobicContact CE1-CB 4.09Å; F602-Q618 HydrophobicContact CE1-CG 4.03Å; F602-Q618 HydrophobicContact CE2-CB 3.54Å; F602-Q618 HydrophobicContact CE2-CG 3.9Å; F602-Q618 HydrophobicContact CG-CB 4Å; F602-Q618 HydrophobicContact CZ-CB 3.78Å; F602-Q618 HydrophobicContact CZ-CG 3.66Å |
| 603 | M | 88.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 171.7 | -73.5 | -69.8 | -68.2 | 0 | 0 | 112.6 | Y599 D601 L606 N607 Y635 | Y599-M603 HydrophobicContact CD1-CG 4.27Å; Y599-M603 HydrophobicContact CD2-CG 4.18Å; Y599-M603 HydrophobicContact CE1-CG 3.81Å; Y599-M603 HydrophobicContact CE1-SD 4.5Å; Y599-M603 HydrophobicContact CE2-CG 3.74Å; Y599-M603 HydrophobicContact CE2-SD 3.91Å; Y599-M603 HydrophobicContact CG-CG 4.44Å; Y599-M603 WeakPolarHBondContact O-CB 3.37Å; Y599-M603 VanDerWaalsContact O-CG 3.27Å; Y599-M603 WeakPolarHBondContact O-CG 3.49Å; Y599-M603 PolarHBondContact O-N 3.31Å; Y599-M603 PolarHBondContact OH-SD 2.85Å; D601-M603 VanDerWaalsContact C-N 3.28Å; D601-M603 PolarHBondContact O-N 3.17Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-N607 VanDerWaalsContact O-CG 3.29Å; M603-N607 PolarHBondContact O-N 2.98Å; M603-N607 VanDerWaalsContact O-N 3.14Å; M603-N607 PolarHBondContact O-OD1 3.31Å; M603-Y635 PolarHBondContact SD-OH 3.48Å |
| 604 | K | 87.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 172.3 | -73.1 | 179.3 | 178.6 | -176.5 | 0 | 112.1 | Y582 T600 D601 F602 L606 N607 L608 | Y582-K604 HydrophobicContact CD1-CB 4.29Å; Y582-K604 HydrophobicContact CD1-CD 4.02Å; Y582-K604 HydrophobicContact CE1-CB 4.3Å; Y582-K604 HydrophobicContact CE1-CD 3.41Å; Y582-K604 VanDerWaalsContact CE1-CD 3.41Å; Y582-K604 HydrophobicContact CE1-CG 4.5Å; Y582-K604 HydrophobicContact CG-CB 4.46Å; T600-K604 WeakPolarHBondContact O-CG 3.27Å; T600-K604 PolarHBondContact O-N 3.31Å; D601-K604 WeakPolarHBondContact O-CB 3.33Å; D601-K604 PolarHBondContact O-N 3.38Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 3.23Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.28Å; K604-N607 PolarHBondContact O-N 2.75Å; K604-N607 VanDerWaalsContact O-N 3.14Å; K604-L608 WeakPolarHBondContact O-CG 3.46Å; K604-L608 PolarHBondContact O-N 3.4Å |
| 605 | I | 89 | Confident | 86 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 173.1 | -67.2 | 162 | 0 | 0 | 0 | 110.6 | E579 E583 D601 F602 N607 L608 N609 S612 A615 | E579-I605 HydrophobicContact CG-CG1 4.31Å; E579-I605 HydrophobicContact CG-CG2 3.91Å; E579-I605 WeakPolarHBondContact OE1-CG2 3.44Å; E583-I605 HydrophobicContact CB-CD1 3.94Å; D601-I605 WeakPolarHBondContact O-CG1 3.01Å; D601-I605 PolarHBondContact O-N 3.3Å; F602-I605 HydrophobicContact CD1-CD1 3.89Å; F602-I605 HydrophobicContact CE1-CD1 4.43Å; F602-I605 PolarHBondContact O-N 3.09Å; I605-N607 VanDerWaalsContact C-N 3.29Å; I605-N607 PolarHBondContact O-N 3.1Å; I605-L608 PolarHBondContact O-N 2.85Å; I605-N609 CarbonylContact O-C 3.58Å; I605-N609 WeakPolarHBondContact O-CA 3.47Å; I605-N609 PolarHBondContact O-N 2.9Å; I605-S612 WeakPolarHBondContact CG2-OG 3.29Å; I605-A615 HydrophobicContact CB-CB 3.87Å; I605-A615 HydrophobicContact CG2-CB 3.49Å; I605-A615 VanDerWaalsContact CG2-CB 3.49Å |
| 606 | L | 85.5 | Confident | 86.5 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -29.1 | 176.3 | -68.7 | 176.8 | 0 | 0 | 0 | 113.8 | F602 M603 K604 N609 P610 A615 Q616 C619 Y635 | F602-L606 WeakPolarHBondContact O-CG 3.43Å; F602-L606 PolarHBondContact O-N 3.46Å; M603-L606 PolarHBondContact O-N 3.48Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.28Å; L606-N609 CarbonylContact O-C 3.54Å; L606-P610 VanDerWaalsContact O-CA 3.22Å; L606-P610 WeakPolarHBondContact O-CA 3.49Å; L606-A615 HydrophobicContact CD2-CB 3.85Å; L606-A615 HydrophobicContact CG-CB 3.88Å; L606-Q616 HydrophobicContact CD2-CB 4.37Å; L606-Q616 HydrophobicContact CD2-CG 3.5Å; L606-Q616 VanDerWaalsContact CD2-CG 3.5Å; L606-C619 HydrophobicContact CD1-CB 4.34Å; L606-Y635 HydrophobicContact CD1-CE1 3.91Å |
| 607 | N | 86.8 | Confident | 86.8 | Confident | 134 Ų | 134 | 48.9 Ų | 48.9 | 72% | 0.717 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.7 | -32 | 174.3 | -68.9 | -10.1 | 0 | 0 | 0 | 112.6 | M603 K604 I605 | M603-N607 VanDerWaalsContact O-CG 3.29Å; M603-N607 PolarHBondContact O-N 2.98Å; M603-N607 VanDerWaalsContact O-N 3.14Å; M603-N607 PolarHBondContact O-OD1 3.31Å; K604-N607 PolarHBondContact O-N 2.75Å; K604-N607 VanDerWaalsContact O-N 3.14Å; I605-N607 VanDerWaalsContact C-N 3.29Å; I605-N607 PolarHBondContact O-N 3.1Å |
| 608 | L | 84.7 | Confident | 87 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -79.3 | -41.7 | 175.1 | -66.9 | 170.3 | 0 | 0 | 0 | 111.9 | T577 Y582 K604 I605 | T577-L608 HydrophobicContact CG2-CD2 4.46Å; Y582-L608 HydrophobicContact CD2-CD1 3.87Å; Y582-L608 HydrophobicContact CE2-CD1 3.88Å; K604-L608 WeakPolarHBondContact O-CG 3.46Å; K604-L608 PolarHBondContact O-N 3.4Å; I605-L608 PolarHBondContact O-N 2.85Å |
| 609 | N | 83.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | trans | -141 | 86.3 | -173.6 | -177.4 | -2.4 | 0 | 0 | 0 | 109.7 | E579 I605 L606 K611 S612 | E579-N609 PolarHBondContact OE1-ND2 3.35Å; E579-N609 VanDerWaalsContact OE1-ND2 3.12Å; E579-N609 WeakPolarHBondContact OE2-CB 3.44Å; E579-N609 PolarHBondContact OE2-ND2 3.41Å; I605-N609 CarbonylContact O-C 3.58Å; I605-N609 WeakPolarHBondContact O-CA 3.47Å; I605-N609 PolarHBondContact O-N 2.9Å; L606-N609 CarbonylContact O-C 3.54Å; N609-K611 PolarHBondContact O-N 3.36Å; N609-K611 PolarHBondContact OD1-N 3.06Å; N609-S612 WeakPolarHBondContact O-CB 3.16Å; N609-S612 PolarHBondContact O-N 3.27Å; N609-S612 PolarHBondContact OD1-N 3.1Å | ||
| 610 | P | 82 | Confident | 87.1 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.3 | -177.1 | 24.9 | -34.5 | 0 | 0 | 0 | 113.9 | L606 Q616 | L606-P610 VanDerWaalsContact O-CA 3.22Å; L606-P610 WeakPolarHBondContact O-CA 3.49Å; P610-Q616 PolarHBondContact O-NE2 3.34Å |
| 611 | K | 81.3 | Confident | 87.2 | Confident | 156 Ų | 156 | 44.4 Ų | 44.4 | 68% | 0.678 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 3.1 | 175.4 | -60.2 | -179.7 | -178.5 | 176.1 | 0 | 113 | N609 F613 | N609-K611 PolarHBondContact O-N 3.36Å; N609-K611 PolarHBondContact OD1-N 3.06Å; K611-F613 PolarHBondContact O-N 2.88Å |
| 612 | S | 85.4 | Confident | 87.1 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -68.6 | 97.7 | -176.3 | -164.3 | 0 | 0 | 0 | 0 | 111.5 | E579 I605 N609 N614 A615 Q616 | E579-S612 WeakPolarHBondContact OE1-CB 3.44Å; E579-S612 PolarHBondContact OE1-OG 3.47Å; I605-S612 WeakPolarHBondContact CG2-OG 3.29Å; N609-S612 WeakPolarHBondContact O-CB 3.16Å; N609-S612 PolarHBondContact O-N 3.27Å; N609-S612 PolarHBondContact OD1-N 3.1Å; S612-N614 VanDerWaalsContact C-N 3.33Å; S612-N614 PolarHBondContact O-N 3.04Å; S612-A615 PolarHBondContact O-N 3.15Å; S612-A615 VanDerWaalsContact O-N 3.15Å; S612-Q616 PolarHBondContact O-N 3.38Å | ||
| 613 | F | 86.6 | Confident | 87.1 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 25% | 0.254 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -51.8 | -46.4 | -175.4 | 169 | -89.7 | 0 | 0 | 0 | 113.1 | K611 A615 Q616 F617 V639 N643 H646 | K611-F613 PolarHBondContact O-N 2.88Å; F613-A615 PolarHBondContact O-N 2.65Å; F613-Q616 PolarHBondContact O-N 2.99Å; F613-F617 WeakPolarHBondContact O-CB 3.44Å; F613-F617 PolarHBondContact O-N 3.24Å; F613-V639 HydrophobicContact CD2-CG1 4.01Å; F613-V639 HydrophobicContact CE2-CG1 3.53Å; F613-V639 HydrophobicContact CZ-CG1 4.27Å; F613-N643 HydrophobicContact CD2-CB 4.21Å; F613-N643 HydrophobicContact CE2-CB 3.79Å; F613-H646 AromaticContact CZ-CD2 3.82Å; F613-H646 AromaticContact CZ-CE1 3.86Å; F613-H646 AromaticContact CZ-CG 3.89Å; F613-H646 AromaticContact CZ-ND1 3.92Å; F613-H646 AromaticContact CZ-NE2 3.81Å |
| 614 | N | 85.5 | Confident | 87.1 | Confident | 78 Ų | 78 | 44.1 Ų | 44.1 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 179.3 | -76.9 | -8.4 | 0 | 0 | 0 | 111.1 | E583 S612 F617 Q618 | E583-N614 PolarHBondContact OE1-ND2 2.68Å; S612-N614 VanDerWaalsContact C-N 3.33Å; S612-N614 PolarHBondContact O-N 3.04Å; N614-F617 PolarHBondContact O-N 3.36Å; N614-Q618 WeakPolarHBondContact O-CB 3.43Å; N614-Q618 VanDerWaalsContact O-CG 3.26Å; N614-Q618 WeakPolarHBondContact O-CG 3.32Å; N614-Q618 PolarHBondContact O-N 3.17Å |
| 615 | A | 87.5 | Confident | 87 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.2 | -38.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F602 I605 L606 S612 F613 C619 | F602-A615 HydrophobicContact CB-CB 4.25Å; F602-A615 HydrophobicContact CD1-CB 4Å; I605-A615 HydrophobicContact CB-CB 3.87Å; I605-A615 HydrophobicContact CG2-CB 3.49Å; I605-A615 VanDerWaalsContact CG2-CB 3.49Å; L606-A615 HydrophobicContact CD2-CB 3.85Å; L606-A615 HydrophobicContact CG-CB 3.88Å; S612-A615 PolarHBondContact O-N 3.15Å; S612-A615 VanDerWaalsContact O-N 3.15Å; F613-A615 PolarHBondContact O-N 2.65Å; A615-C619 VanDerWaalsContact O-CB 3.31Å; A615-C619 WeakPolarHBondContact O-CB 3.42Å; A615-C619 PolarHBondContact O-N 2.8Å; A615-C619 PolarHBondContact O-SG 3.4Å |
| 616 | Q | 90.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.8 | -67.4 | -177.6 | 4.6 | 0 | 0 | 111.2 | L606 P610 S612 F613 C619 G620 M638 V639 H642 | L606-Q616 HydrophobicContact CD2-CB 4.37Å; L606-Q616 HydrophobicContact CD2-CG 3.5Å; L606-Q616 VanDerWaalsContact CD2-CG 3.5Å; P610-Q616 PolarHBondContact O-NE2 3.34Å; S612-Q616 PolarHBondContact O-N 3.38Å; F613-Q616 PolarHBondContact O-N 2.99Å; Q616-C619 PolarHBondContact O-N 2.87Å; Q616-G620 PolarHBondContact O-N 2.95Å; Q616-M638 PolarHBondContact OE1-O 3.5Å; Q616-V639 HydrophobicContact CB-CG2 3.61Å; Q616-H642 PolarHBondContact NE2-CD2 2.94Å; Q616-H642 PolarHBondContact NE2-NE2 3.22Å; Q616-H642 VanDerWaalsContact NE2-NE2 3.12Å; Q616-H642 PolarHBondContact OE1-CD2 3.03Å |
| 617 | F | 91 | Very high | 86.7 | Confident | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | -178.8 | -176.8 | -118.1 | 0 | 0 | 0 | 112.4 | F613 N614 G620 L621 F636 V639 H646 E648 A649 Y652 | F613-F617 WeakPolarHBondContact O-CB 3.44Å; F613-F617 PolarHBondContact O-N 3.24Å; N614-F617 PolarHBondContact O-N 3.36Å; F617-G620 PolarHBondContact O-N 2.74Å; F617-L621 HydrophobicContact CD1-CD1 4.04Å; F617-L621 HydrophobicContact CE1-CD1 3.67Å; F617-L621 HydrophobicContact CE1-CG 4.37Å; F617-L621 HydrophobicContact CE2-CG 4.49Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.37Å; F617-L621 HydrophobicContact CZ-CG 4.29Å; F617-L621 WeakPolarHBondContact O-CG 3.37Å; F617-L621 PolarHBondContact O-N 2.87Å; F617-F636 HydrophobicContact CD2-CD1 4.01Å; F617-F636 AromaticContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CE2-CD1 4.26Å; F617-F636 AromaticContact CE2-CE1 3.86Å; F617-F636 HydrophobicContact CE2-CE1 3.86Å; F617-V639 HydrophobicContact CB-CG1 4.49Å; F617-V639 HydrophobicContact CB-CG2 3.89Å; F617-V639 HydrophobicContact CD2-CG1 4.4Å; F617-H646 AromaticContact CE2-CE1 3.78Å; F617-H646 AromaticContact CZ-CE1 3.84Å; F617-E648 HydrophobicContact CE2-CB 4.5Å; F617-E648 HydrophobicContact CZ-CB 4.11Å; F617-A649 HydrophobicContact CD2-CB 4.18Å; F617-A649 HydrophobicContact CE2-CB 4.08Å; F617-Y652 HydrophobicContact CE2-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CE2 4.34Å |
| 618 | Q | 89.4 | Confident | 86.8 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 176.9 | -65.6 | -66.6 | -8.8 | 0 | 0 | 112.5 | F602 N614 L621 Y622 | F602-Q618 HydrophobicContact CD1-CB 4.19Å; F602-Q618 HydrophobicContact CD2-CB 3.65Å; F602-Q618 HydrophobicContact CD2-CG 4.47Å; F602-Q618 HydrophobicContact CE1-CB 4.09Å; F602-Q618 HydrophobicContact CE1-CG 4.03Å; F602-Q618 HydrophobicContact CE2-CB 3.54Å; F602-Q618 HydrophobicContact CE2-CG 3.9Å; F602-Q618 HydrophobicContact CG-CB 4Å; F602-Q618 HydrophobicContact CZ-CB 3.78Å; F602-Q618 HydrophobicContact CZ-CG 3.66Å; N614-Q618 WeakPolarHBondContact O-CB 3.43Å; N614-Q618 VanDerWaalsContact O-CG 3.26Å; N614-Q618 WeakPolarHBondContact O-CG 3.32Å; N614-Q618 PolarHBondContact O-N 3.17Å; Q618-L621 PolarHBondContact O-N 3.44Å; Q618-Y622 WeakPolarHBondContact O-CB 3.25Å; Q618-Y622 PolarHBondContact O-N 3.33Å |
| 619 | C | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 169.9 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | Y599 L606 A615 Q616 Y622 K623 Y635 | Y599-C619 HydrophobicContact CD2-CB 4.39Å; Y599-C619 HydrophobicContact CE2-CB 4.11Å; L606-C619 HydrophobicContact CD1-CB 4.34Å; A615-C619 VanDerWaalsContact O-CB 3.31Å; A615-C619 WeakPolarHBondContact O-CB 3.42Å; A615-C619 PolarHBondContact O-N 2.8Å; A615-C619 PolarHBondContact O-SG 3.4Å; Q616-C619 PolarHBondContact O-N 2.87Å; C619-Y622 PolarHBondContact O-N 2.94Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 3.04Å; C619-Y635 HydrophobicContact CB-CD1 3.79Å; C619-Y635 HydrophobicContact CB-CD2 4.08Å; C619-Y635 HydrophobicContact CB-CE1 3.68Å; C619-Y635 HydrophobicContact CB-CE2 4Å; C619-Y635 HydrophobicContact CB-CG 4Å |
| 620 | G | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q616 F617 K623 F624 F636 | Q616-G620 PolarHBondContact O-N 2.95Å; F617-G620 PolarHBondContact O-N 2.74Å; G620-K623 PolarHBondContact O-N 3.48Å; G620-F624 WeakPolarHBondContact O-CB 3.46Å; G620-F624 PolarHBondContact O-N 3.46Å; G620-F636 WeakPolarHBondContact O-CZ 3.27Å |
| 621 | L | 89 | Confident | 87.6 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.6 | -70.7 | 175 | 0 | 0 | 0 | 112 | F617 Q618 K623 F624 H625 F636 Y652 | F617-L621 HydrophobicContact CD1-CD1 4.04Å; F617-L621 HydrophobicContact CE1-CD1 3.67Å; F617-L621 HydrophobicContact CE1-CG 4.37Å; F617-L621 HydrophobicContact CE2-CG 4.49Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.37Å; F617-L621 HydrophobicContact CZ-CG 4.29Å; F617-L621 WeakPolarHBondContact O-CG 3.37Å; F617-L621 PolarHBondContact O-N 2.87Å; Q618-L621 PolarHBondContact O-N 3.44Å; L621-K623 VanDerWaalsContact C-N 3.35Å; L621-K623 PolarHBondContact O-N 2.82Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.87Å; L621-F624 VanDerWaalsContact O-N 3.13Å; L621-H625 PolarHBondContact O-CD2 3.34Å; L621-H625 VanDerWaalsContact O-CD2 3.3Å; L621-H625 PolarHBondContact O-N 2.83Å; L621-F636 HydrophobicContact CD2-CE1 4.38Å; L621-F636 HydrophobicContact CD2-CZ 4.16Å; L621-F636 HydrophobicContact CG-CE1 4.38Å; L621-F636 HydrophobicContact CG-CZ 4.41Å; L621-Y652 HydrophobicContact CD2-CD1 3.86Å; L621-Y652 HydrophobicContact CD2-CD2 3.68Å; L621-Y652 HydrophobicContact CD2-CE1 3.77Å; L621-Y652 HydrophobicContact CD2-CE2 3.6Å; L621-Y652 HydrophobicContact CD2-CG 3.83Å |
| 622 | Y | 88.7 | Confident | 88.1 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.8 | 179 | -102.3 | 0 | 0 | 0 | 112.3 | Y595 H596 Y599 Q618 C619 F624 H625 M626 | Y595-Y622 WeakPolarHBondContact O-CE2 3.31Å; H596-Y622 WeakPolarHBondContact CA-OH 3.21Å; H596-Y622 PolarHBondContact CD2-OH 3.47Å; H596-Y622 VanDerWaalsContact CD2-OH 3.27Å; Y599-Y622 AromaticContact CD1-CD1 3.8Å; Y599-Y622 HydrophobicContact CD1-CD1 3.8Å; Y599-Y622 AromaticContact CD1-CE1 3.41Å; Y599-Y622 HydrophobicContact CD1-CE1 3.41Å; Y599-Y622 VanDerWaalsContact CD1-CE1 3.41Å; Y599-Y622 AromaticContact CD2-CD1 3.22Å; Y599-Y622 HydrophobicContact CD2-CD1 3.22Å; Y599-Y622 AromaticContact CD2-CE1 3.8Å; Y599-Y622 HydrophobicContact CD2-CE1 3.8Å; Y599-Y622 AromaticContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CE1-CD1 4.29Å; Y599-Y622 AromaticContact CE1-CE1 3.98Å; Y599-Y622 HydrophobicContact CE1-CE1 3.98Å; Y599-Y622 AromaticContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CE1 4.29Å; Y599-Y622 AromaticContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD2 4.44Å; Y599-Y622 AromaticContact CG-CE1 3.31Å; Y599-Y622 HydrophobicContact CG-CE1 3.31Å; Y599-Y622 AromaticContact CG-CG 3.82Å; Y599-Y622 HydrophobicContact CG-CG 3.82Å; Y599-Y622 AromaticContact CG-CZ 3.98Å; Q618-Y622 WeakPolarHBondContact O-CB 3.25Å; Q618-Y622 PolarHBondContact O-N 3.33Å; C619-Y622 PolarHBondContact O-N 2.94Å; Y622-F624 VanDerWaalsContact C-N 3.34Å; Y622-H625 PolarHBondContact O-N 3.39Å; Y622-M626 HydrophobicContact CD1-CG 4.34Å; Y622-M626 HydrophobicContact CD2-CG 4.44Å; Y622-M626 HydrophobicContact CE1-CG 3.98Å; Y622-M626 HydrophobicContact CE2-CE 3.81Å; Y622-M626 HydrophobicContact CE2-CG 4.07Å; Y622-M626 WeakPolarHBondContact O-CB 3.21Å; Y622-M626 WeakPolarHBondContact O-CG 3.48Å; Y622-M626 PolarHBondContact O-N 3.17Å |
| 623 | K | 89.1 | Confident | 88.4 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -28.6 | 174.9 | -66.5 | -55.7 | -177.8 | -175.4 | 0 | 113.4 | Y599 C619 G620 L621 K627 D628 K631 A632 Y635 | Y599-K623 WeakPolarHBondContact OH-CE 3.43Å; Y599-K623 PolarHBondContact OH-NZ 3.19Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 3.04Å; G620-K623 PolarHBondContact O-N 3.48Å; L621-K623 VanDerWaalsContact C-N 3.35Å; L621-K623 PolarHBondContact O-N 2.82Å; K623-K627 PolarHBondContact O-N 3.27Å; K623-D628 HydrophobicContact CB-CB 4.32Å; K623-D628 HydrophobicContact CD-CB 4.07Å; K623-D628 IonicContact NZ-OD2 2.72Å; K623-D628 PolarHBondContact O-N 2.99Å; K623-K631 HydrophobicContact CB-CB 4.46Å; K623-K631 HydrophobicContact CD-CB 4.42Å; K623-K631 HydrophobicContact CG-CB 4.1Å; K623-A632 HydrophobicContact CB-CB 3.88Å; K623-Y635 HydrophobicContact CG-CD2 4.07Å; K623-Y635 HydrophobicContact CG-CE2 3.86Å |
| 624 | F | 89.1 | Confident | 88.7 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 171.5 | 175.9 | -95.8 | 0 | 0 | 0 | 111.6 | G620 L621 Y622 K627 W629 A632 F636 Y652 R655 | G620-F624 WeakPolarHBondContact O-CB 3.46Å; G620-F624 PolarHBondContact O-N 3.46Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.87Å; L621-F624 VanDerWaalsContact O-N 3.13Å; Y622-F624 VanDerWaalsContact C-N 3.34Å; F624-K627 PolarHBondContact O-N 2.98Å; F624-W629 AromaticContact CD2-CE3 3.88Å; F624-W629 HydrophobicContact CD2-CE3 3.88Å; F624-W629 AromaticContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CE2-CE3 4.05Å; F624-W629 AromaticContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CG-CZ3 4.25Å; F624-W629 HydrophobicContact CZ-CZ3 4.13Å; F624-W629 WeakPolarHBondContact O-CZ3 3.49Å; F624-A632 HydrophobicContact CB-CB 4.33Å; F624-F636 HydrophobicContact CB-CE2 4.33Å; F624-F636 HydrophobicContact CB-CZ 4.45Å; F624-Y652 HydrophobicContact CD1-CD1 4.13Å; F624-Y652 HydrophobicContact CD1-CE1 4.44Å; F624-Y652 HydrophobicContact CE1-CD1 4.29Å; F624-Y652 HydrophobicContact CE1-CE1 4.46Å; F624-Y652 HydrophobicContact CG-CD1 4.36Å; F624-R655 HydrophobicContact CD2-CB 4.44Å; F624-R655 HydrophobicContact CE2-CB 3.49Å; F624-R655 VanDerWaalsContact CE2-CB 3.49Å; F624-R655 HydrophobicContact CE2-CG 4.47Å; F624-R655 HydrophobicContact CZ-CB 3.9Å; F624-R655 HydrophobicContact CZ-CG 4.45Å |
| 625 | H | 84.8 | Confident | 88.9 | Confident | 87 Ų | 87 | 44.7 Ų | 44.7 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -54.2 | 173.4 | -81.3 | -72 | 0 | 0 | 0 | 111.1 | E342 L621 Y622 K627 | E342-H625 WeakPolarHBondContact OE2-CA 3.47Å; E342-H625 IonicContact OE2-CG 2.73Å; E342-H625 IonicContact OE2-ND1 2.66Å; E342-H625 PolarHBondContact OE2-ND1 3.2Å; L621-H625 PolarHBondContact O-CD2 3.34Å; L621-H625 VanDerWaalsContact O-CD2 3.3Å; L621-H625 PolarHBondContact O-N 2.83Å; Y622-H625 PolarHBondContact O-N 3.39Å; H625-K627 WeakPolarHBondContact O-CG 3.39Å; H625-K627 PolarHBondContact O-N 2.72Å |
| 626 | M | 85.2 | Confident | 89.2 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 51% | 0.512 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 14.1 | 176.6 | -68.6 | -74.2 | 170.4 | 0 | 0 | 115.6 | Y622 D628 | Y622-M626 HydrophobicContact CD1-CG 4.34Å; Y622-M626 HydrophobicContact CD2-CG 4.44Å; Y622-M626 HydrophobicContact CE1-CG 3.98Å; Y622-M626 HydrophobicContact CE2-CE 3.81Å; Y622-M626 HydrophobicContact CE2-CG 4.07Å; Y622-M626 WeakPolarHBondContact O-CB 3.21Å; Y622-M626 WeakPolarHBondContact O-CG 3.48Å; Y622-M626 PolarHBondContact O-N 3.17Å; M626-D628 PolarHBondContact O-N 3.5Å |
| 627 | K | 83.2 | Confident | 89.3 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 12.8 | 174.7 | -52.1 | 164.8 | -164.6 | 156.9 | 0 | 114.9 | L341 E342 K623 F624 H625 W629 | L341-K627 WeakPolarHBondContact O-CE 3.34Å; L341-K627 PolarHBondContact O-NZ 3.44Å; E342-K627 WeakPolarHBondContact OE1-CE 3.35Å; E342-K627 IonicContact OE1-NZ 2.69Å; K623-K627 PolarHBondContact O-N 3.27Å; F624-K627 PolarHBondContact O-N 2.98Å; H625-K627 WeakPolarHBondContact O-CG 3.39Å; H625-K627 PolarHBondContact O-N 2.72Å; K627-W629 HydrophobicContact CB-CH2 4.09Å; K627-W629 HydrophobicContact CB-CZ2 3.61Å; K627-W629 HydrophobicContact CG-CH2 3.99Å; K627-W629 HydrophobicContact CG-CZ2 3.79Å; K627-W629 VanDerWaalsContact O-CD1 3.23Å; K627-W629 PolarHBondContact O-N 2.81Å; K627-W629 PolarHBondContact O-NE1 3.37Å |
| 628 | D | 88.9 | Confident | 89.2 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | trans | -85 | 60.3 | 180 | -169.3 | -4.9 | 0 | 0 | 0 | 109.2 | K623 M626 R630 K631 A632 | K623-D628 HydrophobicContact CB-CB 4.32Å; K623-D628 HydrophobicContact CD-CB 4.07Å; K623-D628 IonicContact NZ-OD2 2.72Å; K623-D628 PolarHBondContact O-N 2.99Å; M626-D628 PolarHBondContact O-N 3.5Å; D628-R630 PolarHBondContact O-N 2.94Å; D628-K631 PolarHBondContact O-N 3.47Å; D628-K631 WeakPolarHBondContact OD1-CG 3.21Å; D628-K631 IonicContact OD1-NZ 3.4Å; D628-K631 PolarHBondContact OD1-NZ 3.41Å; D628-K631 VanDerWaalsContact OD1-NZ 3.08Å; D628-K631 VanDerWaalsContact OD2-CD 3.23Å; D628-K631 WeakPolarHBondContact OD2-CD 3.37Å; D628-K631 WeakPolarHBondContact OD2-CE 3.31Å; D628-K631 IonicContact OD2-NZ 2.78Å; D628-K631 PolarHBondContact OD2-NZ 3.24Å; D628-A632 PolarHBondContact O-N 3.24Å | ||
| 629 | W | 89.1 | Confident | 89.2 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.5 | -30.8 | -169.5 | -41.1 | 115.2 | 0 | 0 | 0 | 112.7 | F624 K627 V633 C656 K659 L660 | F624-W629 AromaticContact CD2-CE3 3.88Å; F624-W629 HydrophobicContact CD2-CE3 3.88Å; F624-W629 AromaticContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CE2-CE3 4.05Å; F624-W629 AromaticContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CG-CZ3 4.25Å; F624-W629 HydrophobicContact CZ-CZ3 4.13Å; F624-W629 WeakPolarHBondContact O-CZ3 3.49Å; K627-W629 HydrophobicContact CB-CH2 4.09Å; K627-W629 HydrophobicContact CB-CZ2 3.61Å; K627-W629 HydrophobicContact CG-CH2 3.99Å; K627-W629 HydrophobicContact CG-CZ2 3.79Å; K627-W629 VanDerWaalsContact O-CD1 3.23Å; K627-W629 PolarHBondContact O-N 2.81Å; K627-W629 PolarHBondContact O-NE1 3.37Å; W629-V633 WeakPolarHBondContact O-CG2 3.4Å; W629-V633 PolarHBondContact O-N 3.35Å; W629-C656 HydrophobicContact CB-CB 4.42Å; W629-K659 HydrophobicContact CD2-CB 3.52Å; W629-K659 HydrophobicContact CD2-CG 3.81Å; W629-K659 HydrophobicContact CE3-CB 4.04Å; W629-K659 HydrophobicContact CE3-CG 3.89Å; W629-K659 HydrophobicContact CG-CB 3.75Å; W629-K659 HydrophobicContact CH2-CD 4.08Å; W629-K659 HydrophobicContact CH2-CG 3.87Å; W629-K659 HydrophobicContact CZ2-CB 4.11Å; W629-K659 HydrophobicContact CZ2-CD 3.82Å; W629-K659 HydrophobicContact CZ2-CG 3.76Å; W629-K659 HydrophobicContact CZ3-CG 3.92Å; W629-L660 HydrophobicContact CB-CD1 3.97Å; W629-L660 HydrophobicContact CB-CD2 3.97Å; W629-L660 HydrophobicContact CB-CG 3.72Å; W629-L660 HydrophobicContact CG-CG 4.48Å |
| 630 | R | 90.2 | Very high | 89.3 | Confident | 197 Ų | 197 | 51.4 Ų | 51.4 | 74% | 0.743 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66 | -48.3 | 177.9 | -66.3 | -174.7 | -179.4 | 179.6 | 1.2 | 111.7 | D628 T634 L660 | D628-R630 PolarHBondContact O-N 2.94Å; R630-T634 PolarHBondContact O-N 3.33Å; R630-L660 HydrophobicContact CG-CD2 4.11Å |
| 631 | K | 88.4 | Confident | 89.2 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.7 | -32.2 | 177.3 | -61.7 | -169.2 | -158.3 | 70.2 | 0 | 112 | K623 D628 T634 Y635 | K623-K631 HydrophobicContact CB-CB 4.46Å; K623-K631 HydrophobicContact CD-CB 4.42Å; K623-K631 HydrophobicContact CG-CB 4.1Å; D628-K631 PolarHBondContact O-N 3.47Å; D628-K631 WeakPolarHBondContact OD1-CG 3.21Å; D628-K631 IonicContact OD1-NZ 3.4Å; D628-K631 PolarHBondContact OD1-NZ 3.41Å; D628-K631 VanDerWaalsContact OD1-NZ 3.08Å; D628-K631 VanDerWaalsContact OD2-CD 3.23Å; D628-K631 WeakPolarHBondContact OD2-CD 3.37Å; D628-K631 WeakPolarHBondContact OD2-CE 3.31Å; D628-K631 IonicContact OD2-NZ 2.78Å; D628-K631 PolarHBondContact OD2-NZ 3.24Å; K631-T634 WeakPolarHBondContact CA-OG1 3.4Å; K631-T634 PolarHBondContact O-N 3.19Å; K631-T634 PolarHBondContact O-OG1 2.97Å; K631-Y635 WeakPolarHBondContact O-CD2 3.35Å; K631-Y635 PolarHBondContact O-N 3.4Å; K631-Y635 VanDerWaalsContact O-N 3.13Å |
| 632 | A | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K623 F624 D628 T634 Y635 F636 C656 | K623-A632 HydrophobicContact CB-CB 3.88Å; F624-A632 HydrophobicContact CB-CB 4.33Å; D628-A632 PolarHBondContact O-N 3.24Å; A632-T634 PolarHBondContact O-N 3.16Å; A632-Y635 PolarHBondContact O-N 3.03Å; A632-F636 HydrophobicContact CB-CD2 4.47Å; A632-F636 HydrophobicContact CB-CE2 4.12Å; A632-F636 WeakPolarHBondContact O-CD2 3.42Å; A632-F636 WeakPolarHBondContact O-CG 3.44Å; A632-F636 PolarHBondContact O-N 2.92Å; A632-C656 VanDerWaalsContact CB-SG 3.5Å |
| 633 | V | 91.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | W629 Y635 F636 Q637 L653 C656 L657 L660 | W629-V633 WeakPolarHBondContact O-CG2 3.4Å; W629-V633 PolarHBondContact O-N 3.35Å; V633-Y635 PolarHBondContact O-N 2.68Å; V633-F636 PolarHBondContact O-N 2.58Å; V633-Q637 HydrophobicContact CG1-CG 4.23Å; V633-Q637 WeakPolarHBondContact O-CB 3.27Å; V633-Q637 VanDerWaalsContact O-CG 3.31Å; V633-Q637 WeakPolarHBondContact O-CG 3.23Å; V633-Q637 PolarHBondContact O-N 3.08Å; V633-L653 HydrophobicContact CG1-CD1 4.46Å; V633-C656 HydrophobicContact CG2-CB 3.5Å; V633-C656 VanDerWaalsContact CG2-CB 3.5Å; V633-L657 HydrophobicContact CG2-CD2 4.48Å; V633-L657 HydrophobicContact CG2-CG 4.49Å; V633-L660 HydrophobicContact CG2-CD1 4.16Å |
| 634 | T | 91.7 | Very high | 88.7 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | -178.5 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | R630 K631 A632 Q637 M638 | R630-T634 PolarHBondContact O-N 3.33Å; K631-T634 WeakPolarHBondContact CA-OG1 3.4Å; K631-T634 PolarHBondContact O-N 3.19Å; K631-T634 PolarHBondContact O-OG1 2.97Å; A632-T634 PolarHBondContact O-N 3.16Å; T634-Q637 PolarHBondContact O-N 3.38Å; T634-M638 WeakPolarHBondContact O-CG 3.4Å; T634-M638 PolarHBondContact O-N 3.09Å; T634-M638 VanDerWaalsContact O-N 3.12Å |
| 635 | Y | 91.1 | Very high | 88.7 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 175.2 | -75.1 | -63.5 | 0 | 0 | 0 | 111.9 | M603 L606 C619 K623 K631 A632 V633 Q637 M638 V639 | M603-Y635 PolarHBondContact SD-OH 3.48Å; L606-Y635 HydrophobicContact CD1-CE1 3.91Å; C619-Y635 HydrophobicContact CB-CD1 3.79Å; C619-Y635 HydrophobicContact CB-CD2 4.08Å; C619-Y635 HydrophobicContact CB-CE1 3.68Å; C619-Y635 HydrophobicContact CB-CE2 4Å; C619-Y635 HydrophobicContact CB-CG 4Å; K623-Y635 HydrophobicContact CG-CD2 4.07Å; K623-Y635 HydrophobicContact CG-CE2 3.86Å; K631-Y635 WeakPolarHBondContact O-CD2 3.35Å; K631-Y635 PolarHBondContact O-N 3.4Å; K631-Y635 VanDerWaalsContact O-N 3.13Å; A632-Y635 PolarHBondContact O-N 3.03Å; V633-Y635 PolarHBondContact O-N 2.68Å; Y635-Q637 VanDerWaalsContact C-N 3.29Å; Y635-Q637 PolarHBondContact O-N 2.99Å; Y635-M638 HydrophobicContact CD1-SD 4.47Å; Y635-M638 PolarHBondContact O-N 3.32Å; Y635-V639 WeakPolarHBondContact O-CG2 3.48Å; Y635-V639 PolarHBondContact O-N 3.21Å; Y635-V639 VanDerWaalsContact O-N 3.07Å |
| 636 | F | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 177.7 | -63.9 | -52.5 | 0 | 0 | 0 | 112.9 | F617 G620 L621 F624 A632 V633 V639 L640 A649 Y652 L653 | F617-F636 HydrophobicContact CD2-CD1 4.01Å; F617-F636 AromaticContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CE2-CD1 4.26Å; F617-F636 AromaticContact CE2-CE1 3.86Å; F617-F636 HydrophobicContact CE2-CE1 3.86Å; G620-F636 WeakPolarHBondContact O-CZ 3.27Å; L621-F636 HydrophobicContact CD2-CE1 4.38Å; L621-F636 HydrophobicContact CD2-CZ 4.16Å; L621-F636 HydrophobicContact CG-CE1 4.38Å; L621-F636 HydrophobicContact CG-CZ 4.41Å; F624-F636 HydrophobicContact CB-CE2 4.33Å; F624-F636 HydrophobicContact CB-CZ 4.45Å; A632-F636 HydrophobicContact CB-CD2 4.47Å; A632-F636 HydrophobicContact CB-CE2 4.12Å; A632-F636 WeakPolarHBondContact O-CD2 3.42Å; A632-F636 WeakPolarHBondContact O-CG 3.44Å; A632-F636 PolarHBondContact O-N 2.92Å; V633-F636 PolarHBondContact O-N 2.58Å; F636-V639 PolarHBondContact O-N 3.08Å; F636-L640 VanDerWaalsContact O-CG 3.26Å; F636-L640 WeakPolarHBondContact O-CG 3.45Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.15Å; F636-A649 HydrophobicContact CD1-CB 4.24Å; F636-Y652 HydrophobicContact CZ-CG 4.11Å; F636-L653 HydrophobicContact CB-CB 3.81Å; F636-L653 HydrophobicContact CB-CD1 3.89Å; F636-L653 HydrophobicContact CB-CG 4.4Å; F636-L653 HydrophobicContact CD2-CB 4.26Å; F636-L653 HydrophobicContact CG-CB 4.32Å |
| 637 | Q | 91.8 | Very high | 89.4 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 171.1 | -75.4 | 176.9 | -37.8 | 0 | 0 | 111.9 | V633 T634 Y635 V639 L640 V641 L653 | V633-Q637 HydrophobicContact CG1-CG 4.23Å; V633-Q637 WeakPolarHBondContact O-CB 3.27Å; V633-Q637 VanDerWaalsContact O-CG 3.31Å; V633-Q637 WeakPolarHBondContact O-CG 3.23Å; V633-Q637 PolarHBondContact O-N 3.08Å; T634-Q637 PolarHBondContact O-N 3.38Å; Y635-Q637 VanDerWaalsContact C-N 3.29Å; Y635-Q637 PolarHBondContact O-N 2.99Å; Q637-V639 PolarHBondContact O-N 2.92Å; Q637-L640 PolarHBondContact O-N 2.89Å; Q637-V641 PolarHBondContact O-N 3.31Å; Q637-V641 VanDerWaalsContact O-N 3.1Å; Q637-L653 HydrophobicContact CG-CD1 3.63Å |
| 638 | M | 88.7 | Confident | 89.8 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 175 | -65.8 | 166.4 | 176.7 | 0 | 0 | 111.6 | Q616 T634 Y635 L640 V641 H642 | Q616-M638 PolarHBondContact OE1-O 3.5Å; T634-M638 WeakPolarHBondContact O-CG 3.4Å; T634-M638 PolarHBondContact O-N 3.09Å; T634-M638 VanDerWaalsContact O-N 3.12Å; Y635-M638 HydrophobicContact CD1-SD 4.47Å; Y635-M638 PolarHBondContact O-N 3.32Å; M638-L640 VanDerWaalsContact C-N 3.25Å; M638-L640 PolarHBondContact O-N 3.37Å; M638-V641 WeakPolarHBondContact O-CB 3.31Å; M638-V641 PolarHBondContact O-N 3.24Å; M638-V641 VanDerWaalsContact O-N 3.1Å; M638-H642 PolarHBondContact O-CD2 3.4Å; M638-H642 VanDerWaalsContact O-CD2 3.3Å; M638-H642 PolarHBondContact O-N 3.13Å |
| 639 | V | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.2 | -40.5 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | F613 Q616 F617 Y635 F636 Q637 H642 N643 A649 | F613-V639 HydrophobicContact CD2-CG1 4.01Å; F613-V639 HydrophobicContact CE2-CG1 3.53Å; F613-V639 HydrophobicContact CZ-CG1 4.27Å; Q616-V639 HydrophobicContact CB-CG2 3.61Å; F617-V639 HydrophobicContact CB-CG1 4.49Å; F617-V639 HydrophobicContact CB-CG2 3.89Å; F617-V639 HydrophobicContact CD2-CG1 4.4Å; Y635-V639 WeakPolarHBondContact O-CG2 3.48Å; Y635-V639 PolarHBondContact O-N 3.21Å; Y635-V639 VanDerWaalsContact O-N 3.07Å; F636-V639 PolarHBondContact O-N 3.08Å; Q637-V639 PolarHBondContact O-N 2.92Å; V639-H642 PolarHBondContact O-N 2.73Å; V639-N643 PolarHBondContact O-N 3.2Å; V639-A649 HydrophobicContact CB-CB 4.34Å; V639-A649 HydrophobicContact CG1-CB 3.73Å |
| 640 | L | 89.6 | Confident | 90.2 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -78.4 | -17.5 | -179.2 | -67.1 | 169.9 | 0 | 0 | 0 | 114.2 | F636 Q637 M638 P644 H646 A649 R650 L653 | F636-L640 VanDerWaalsContact O-CG 3.26Å; F636-L640 WeakPolarHBondContact O-CG 3.45Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.15Å; Q637-L640 PolarHBondContact O-N 2.89Å; M638-L640 VanDerWaalsContact C-N 3.25Å; M638-L640 PolarHBondContact O-N 3.37Å; L640-P644 WeakPolarHBondContact O-CA 3.34Å; L640-P644 WeakPolarHBondContact O-CG 3.07Å; L640-H646 HydrophobicContact CD2-CB 4.35Å; L640-A649 HydrophobicContact CD2-CB 4.02Å; L640-A649 HydrophobicContact CG-CB 4.16Å; L640-R650 HydrophobicContact CD1-CG 3.78Å; L640-R650 HydrophobicContact CD2-CG 3.52Å; L640-R650 HydrophobicContact CG-CG 4.32Å; L640-L653 HydrophobicContact CD1-CD1 4.23Å |
| 641 | V | 88.2 | Confident | 90.4 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 70% | 0.703 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71.5 | -37.2 | 167.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | Q637 M638 | Q637-V641 PolarHBondContact O-N 3.31Å; Q637-V641 VanDerWaalsContact O-N 3.1Å; M638-V641 WeakPolarHBondContact O-CB 3.31Å; M638-V641 PolarHBondContact O-N 3.24Å; M638-V641 VanDerWaalsContact O-N 3.1Å |
| 642 | H | 82.4 | Confident | 90.6 | Very high | 87 Ų | 87 | 44 Ų | 44 | 40% | 0.403 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -81.2 | -35.5 | 177.2 | -63.4 | -58.6 | 0 | 0 | 0 | 113.4 | Q616 M638 V639 | Q616-H642 PolarHBondContact NE2-CD2 2.94Å; Q616-H642 PolarHBondContact NE2-NE2 3.22Å; Q616-H642 VanDerWaalsContact NE2-NE2 3.12Å; Q616-H642 PolarHBondContact OE1-CD2 3.03Å; M638-H642 PolarHBondContact O-CD2 3.4Å; M638-H642 VanDerWaalsContact O-CD2 3.3Å; M638-H642 PolarHBondContact O-N 3.13Å; V639-H642 PolarHBondContact O-N 2.73Å |
| 643 | N | 86 | Confident | 90.7 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | trans | -138 | 84.4 | -179.9 | -171.3 | -7.4 | 0 | 0 | 0 | 111.5 | F613 V639 S645 H646 | F613-N643 HydrophobicContact CD2-CB 4.21Å; F613-N643 HydrophobicContact CE2-CB 3.79Å; V639-N643 PolarHBondContact O-N 3.2Å; N643-S645 PolarHBondContact O-N 3.27Å; N643-S645 VanDerWaalsContact O-N 3.14Å; N643-S645 PolarHBondContact OD1-OG 3.47Å; N643-S645 VanDerWaalsContact OD1-OG 3.07Å; N643-H646 HydrophobicContact CB-CB 4.2Å; N643-H646 WeakPolarHBondContact O-CB 3.33Å; N643-H646 PolarHBondContact O-N 3.23Å; N643-H646 VanDerWaalsContact O-N 3.09Å | ||
| 644 | P | 88.1 | Confident | 90.8 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.3 | -175.1 | -25.9 | 34.9 | 0 | 0 | 0 | 115.4 | L640 R650 Y676 | L640-P644 WeakPolarHBondContact O-CA 3.34Å; L640-P644 WeakPolarHBondContact O-CG 3.07Å; P644-R650 PolarHBondContact O-NE 3.27Å; P644-R650 PolarHBondContact O-NH2 3.36Å; P644-Y676 WeakPolarHBondContact O-CE2 3.37Å |
| 645 | S | 89.6 | Confident | 90.8 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.5 | 178.6 | 55.7 | 0 | 0 | 0 | 0 | 114 | N643 Y647 | N643-S645 PolarHBondContact O-N 3.27Å; N643-S645 VanDerWaalsContact O-N 3.14Å; N643-S645 PolarHBondContact OD1-OG 3.47Å; N643-S645 VanDerWaalsContact OD1-OG 3.07Å; S645-Y647 PolarHBondContact O-N 3.48Å |
| 646 | H | 91.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 15% | 0.148 | 21% | 0.206 | C | C | . | . | trans | -71.6 | 86.8 | -177.6 | -165.1 | -117.5 | 0 | 0 | 0 | 113 | F613 F617 L640 N643 E648 A649 R650 | F613-H646 AromaticContact CZ-CD2 3.82Å; F613-H646 AromaticContact CZ-CE1 3.86Å; F613-H646 AromaticContact CZ-CG 3.89Å; F613-H646 AromaticContact CZ-ND1 3.92Å; F613-H646 AromaticContact CZ-NE2 3.81Å; F617-H646 AromaticContact CE2-CE1 3.78Å; F617-H646 AromaticContact CZ-CE1 3.84Å; L640-H646 HydrophobicContact CD2-CB 4.35Å; N643-H646 HydrophobicContact CB-CB 4.2Å; N643-H646 WeakPolarHBondContact O-CB 3.33Å; N643-H646 PolarHBondContact O-N 3.23Å; N643-H646 VanDerWaalsContact O-N 3.09Å; H646-E648 VanDerWaalsContact C-N 3.3Å; H646-E648 PolarHBondContact O-N 3.07Å; H646-A649 HydrophobicContact CB-CB 4.46Å; H646-A649 VanDerWaalsContact ND1-CB 3.34Å; H646-A649 WeakPolarHBondContact ND1-CB 3.37Å; H646-A649 PolarHBondContact ND1-N 3.34Å; H646-A649 PolarHBondContact O-N 2.9Å; H646-A649 VanDerWaalsContact O-N 3.15Å; H646-R650 PolarHBondContact O-N 3Å | ||
| 647 | Y | 92.2 | Very high | 90.7 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.6 | -33.9 | -172.2 | 67.9 | -88 | 0 | 0 | 0 | 114.5 | S645 R650 Y651 S673 Q677 Y680 | S645-Y647 PolarHBondContact O-N 3.48Å; Y647-R650 PolarHBondContact O-N 2.69Å; Y647-Y651 PolarHBondContact O-N 3.02Å; Y647-Y651 VanDerWaalsContact O-N 3.08Å; Y647-S673 WeakPolarHBondContact CB-O 3.36Å; Y647-S673 PolarHBondContact O-OG 3.35Å; Y647-Q677 HydrophobicContact CD1-CB 3.72Å; Y647-Q677 HydrophobicContact CD1-CG 4.28Å; Y647-Q677 HydrophobicContact CD2-CB 3.68Å; Y647-Q677 HydrophobicContact CD2-CG 4Å; Y647-Q677 HydrophobicContact CE1-CB 4.15Å; Y647-Q677 HydrophobicContact CE1-CG 4.2Å; Y647-Q677 HydrophobicContact CE2-CB 4.1Å; Y647-Q677 HydrophobicContact CE2-CG 3.91Å; Y647-Q677 HydrophobicContact CG-CB 3.47Å; Y647-Q677 VanDerWaalsContact CG-CB 3.47Å; Y647-Q677 HydrophobicContact CG-CG 4.19Å; Y647-Y680 AromaticContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD2 4Å; Y647-Y680 HydrophobicContact CD2-CE1 4.25Å; Y647-Y680 HydrophobicContact CD2-CE2 4.25Å; Y647-Y680 AromaticContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CE2-CD1 4.3Å; Y647-Y680 AromaticContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CE1 4.45Å; Y647-Y680 AromaticContact CE2-CE2 3.66Å; Y647-Y680 HydrophobicContact CE2-CE2 3.66Å; Y647-Y680 AromaticContact CE2-CG 3.86Å; Y647-Y680 HydrophobicContact CE2-CG 3.86Å |
| 648 | E | 91.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 38 Ų | 38 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.6 | -67.8 | -139.4 | 127.6 | 0 | 0 | 112 | F617 H646 R650 Y651 Y652 Y680 | F617-E648 HydrophobicContact CE2-CB 4.5Å; F617-E648 HydrophobicContact CZ-CB 4.11Å; H646-E648 VanDerWaalsContact C-N 3.3Å; H646-E648 PolarHBondContact O-N 3.07Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 2.98Å; E648-Y651 WeakPolarHBondContact O-CB 3.41Å; E648-Y651 PolarHBondContact O-N 3.44Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; E648-Y652 WeakPolarHBondContact O-CD2 3.27Å; E648-Y652 PolarHBondContact O-N 2.88Å; E648-Y680 HydrophobicContact CG-CE2 4.29Å; E648-Y680 WeakPolarHBondContact OE1-CE2 3.43Å; E648-Y680 VanDerWaalsContact OE1-CZ 3.29Å; E648-Y680 PolarHBondContact OE1-OH 3.43Å |
| 649 | A | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F617 F636 V639 L640 H646 Y651 Y652 L653 | F617-A649 HydrophobicContact CD2-CB 4.18Å; F617-A649 HydrophobicContact CE2-CB 4.08Å; F636-A649 HydrophobicContact CD1-CB 4.24Å; V639-A649 HydrophobicContact CB-CB 4.34Å; V639-A649 HydrophobicContact CG1-CB 3.73Å; L640-A649 HydrophobicContact CD2-CB 4.02Å; L640-A649 HydrophobicContact CG-CB 4.16Å; H646-A649 HydrophobicContact CB-CB 4.46Å; H646-A649 VanDerWaalsContact ND1-CB 3.34Å; H646-A649 WeakPolarHBondContact ND1-CB 3.37Å; H646-A649 PolarHBondContact ND1-N 3.34Å; H646-A649 PolarHBondContact O-N 2.9Å; H646-A649 VanDerWaalsContact O-N 3.15Å; A649-Y651 VanDerWaalsContact C-N 3.34Å; A649-Y651 PolarHBondContact O-N 3.49Å; A649-Y652 PolarHBondContact O-N 3.4Å; A649-L653 WeakPolarHBondContact O-CB 3.34Å; A649-L653 PolarHBondContact O-N 2.9Å |
| 650 | R | 93.9 | Very high | 90.4 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 172.6 | -62.1 | -172 | 171.6 | -83.5 | 2.9 | 112.3 | L640 P644 H646 Y647 E648 A654 E669 T672 | L640-R650 HydrophobicContact CD1-CG 3.78Å; L640-R650 HydrophobicContact CD2-CG 3.52Å; L640-R650 HydrophobicContact CG-CG 4.32Å; P644-R650 PolarHBondContact O-NE 3.27Å; P644-R650 PolarHBondContact O-NH2 3.36Å; H646-R650 PolarHBondContact O-N 3Å; Y647-R650 PolarHBondContact O-N 2.69Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 2.98Å; R650-A654 WeakPolarHBondContact O-CB 3.18Å; R650-A654 PolarHBondContact O-N 3.31Å; R650-E669 IonicContact CZ-OE2 3.91Å; R650-E669 IonicContact NH1-OE1 3.89Å; R650-E669 PolarHBondContact NH1-OE1 3.12Å; R650-E669 IonicContact NH1-OE2 3.62Å; R650-E669 PolarHBondContact NH1-OE2 3.13Å; R650-T672 WeakPolarHBondContact CD-OG1 3.42Å; R650-T672 PolarHBondContact NH1-OG1 3.46Å |
| 651 | Y | 94 | Very high | 90.2 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -48.8 | 176.5 | 165.8 | -104.9 | 0 | 0 | 0 | 113 | Y647 E648 A649 A654 R655 L670 Y680 K682 A683 T686 | Y647-Y651 PolarHBondContact O-N 3.02Å; Y647-Y651 VanDerWaalsContact O-N 3.08Å; E648-Y651 WeakPolarHBondContact O-CB 3.41Å; E648-Y651 PolarHBondContact O-N 3.44Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; A649-Y651 VanDerWaalsContact C-N 3.34Å; A649-Y651 PolarHBondContact O-N 3.49Å; Y651-A654 WeakPolarHBondContact O-CB 3.42Å; Y651-A654 PolarHBondContact O-N 3.02Å; Y651-R655 HydrophobicContact CE1-CG 4.39Å; Y651-R655 HydrophobicContact CE2-CG 4.22Å; Y651-R655 PolarHBondContact O-N 3.4Å; Y651-L670 HydrophobicContact CD2-CD2 3.98Å; Y651-Y680 AromaticContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD2-CE1 4.07Å; Y651-Y680 HydrophobicContact CE1-CE1 4.38Å; Y651-Y680 HydrophobicContact CG-CD1 4.48Å; Y651-Y680 AromaticContact CG-CE1 3.59Å; Y651-Y680 HydrophobicContact CG-CE1 3.59Å; Y651-K682 HydrophobicContact CE1-CB 4.24Å; Y651-K682 HydrophobicContact CE1-CD 4.3Å; Y651-K682 HydrophobicContact CE2-CB 3.99Å; Y651-K682 WeakPolarHBondContact CE2-O 3.37Å; Y651-A683 HydrophobicContact CD2-CB 3.79Å; Y651-A683 HydrophobicContact CE2-CB 4.41Å; Y651-T686 HydrophobicContact CE2-CG2 3.89Å |
| 652 | Y | 93.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 178.1 | -73.4 | -74.9 | 0 | 0 | 0 | 111.9 | F617 L621 F624 F636 E648 A649 A654 R655 C656 | F617-Y652 HydrophobicContact CE2-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CE2 4.34Å; L621-Y652 HydrophobicContact CD2-CD1 3.86Å; L621-Y652 HydrophobicContact CD2-CD2 3.68Å; L621-Y652 HydrophobicContact CD2-CE1 3.77Å; L621-Y652 HydrophobicContact CD2-CE2 3.6Å; L621-Y652 HydrophobicContact CD2-CG 3.83Å; F624-Y652 HydrophobicContact CD1-CD1 4.13Å; F624-Y652 HydrophobicContact CD1-CE1 4.44Å; F624-Y652 HydrophobicContact CE1-CD1 4.29Å; F624-Y652 HydrophobicContact CE1-CE1 4.46Å; F624-Y652 HydrophobicContact CG-CD1 4.36Å; F636-Y652 HydrophobicContact CZ-CG 4.11Å; E648-Y652 WeakPolarHBondContact O-CD2 3.27Å; E648-Y652 PolarHBondContact O-N 2.88Å; A649-Y652 PolarHBondContact O-N 3.4Å; Y652-A654 VanDerWaalsContact C-N 3.31Å; Y652-A654 PolarHBondContact O-N 3.15Å; Y652-R655 PolarHBondContact O-N 3.44Å; Y652-R655 VanDerWaalsContact O-N 3.16Å; Y652-C656 PolarHBondContact O-N 3.08Å; Y652-C656 PolarHBondContact O-SG 3.23Å |
| 653 | L | 93.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 170.8 | 179.8 | 142.6 | 0 | 0 | 0 | 111.6 | V633 F636 Q637 L640 A649 C656 L657 E669 | V633-L653 HydrophobicContact CG1-CD1 4.46Å; F636-L653 HydrophobicContact CB-CB 3.81Å; F636-L653 HydrophobicContact CB-CD1 3.89Å; F636-L653 HydrophobicContact CB-CG 4.4Å; F636-L653 HydrophobicContact CD2-CB 4.26Å; F636-L653 HydrophobicContact CG-CB 4.32Å; Q637-L653 HydrophobicContact CG-CD1 3.63Å; L640-L653 HydrophobicContact CD1-CD1 4.23Å; A649-L653 WeakPolarHBondContact O-CB 3.34Å; A649-L653 PolarHBondContact O-N 2.9Å; L653-C656 WeakPolarHBondContact O-CB 3.43Å; L653-C656 PolarHBondContact O-N 2.76Å; L653-L657 HydrophobicContact CD2-CD1 3.55Å; L653-L657 HydrophobicContact CD2-CG 4.43Å; L653-L657 HydrophobicContact CG-CD1 4.35Å; L653-L657 WeakPolarHBondContact O-CG 3.41Å; L653-L657 PolarHBondContact O-N 3.48Å; L653-E669 HydrophobicContact CD2-CB 3.89Å; L653-E669 HydrophobicContact CD2-CG 3.44Å; L653-E669 VanDerWaalsContact CD2-CG 3.44Å |
| 654 | A | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -37 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R650 Y651 Y652 C656 L657 L658 A666 E669 L670 | R650-A654 WeakPolarHBondContact O-CB 3.18Å; R650-A654 PolarHBondContact O-N 3.31Å; Y651-A654 WeakPolarHBondContact O-CB 3.42Å; Y651-A654 PolarHBondContact O-N 3.02Å; Y652-A654 VanDerWaalsContact C-N 3.31Å; Y652-A654 PolarHBondContact O-N 3.15Å; A654-C656 VanDerWaalsContact C-N 3.32Å; A654-C656 PolarHBondContact O-N 3.38Å; A654-L657 PolarHBondContact O-N 3.15Å; A654-L658 WeakPolarHBondContact O-CB 3.39Å; A654-L658 PolarHBondContact O-N 2.93Å; A654-A666 HydrophobicContact CB-CB 4.42Å; A654-E669 HydrophobicContact CB-CB 4.05Å; A654-L670 HydrophobicContact CB-CD1 4.38Å; A654-L670 HydrophobicContact CB-CD2 3.95Å; A654-L670 HydrophobicContact CB-CG 3.66Å |
| 655 | R | 91.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 170 | -66.4 | -175.6 | 87.3 | -172.8 | 3 | 111.1 | E343 F624 Y651 Y652 L658 K659 | E343-R655 IonicContact OE1-CZ 3.85Å; E343-R655 IonicContact OE1-NH1 3.7Å; E343-R655 PolarHBondContact OE1-NH1 3.49Å; E343-R655 VanDerWaalsContact OE1-NH1 3.09Å; E343-R655 IonicContact OE1-NH2 3.35Å; E343-R655 PolarHBondContact OE1-NH2 3.46Å; F624-R655 HydrophobicContact CD2-CB 4.44Å; F624-R655 HydrophobicContact CE2-CB 3.49Å; F624-R655 VanDerWaalsContact CE2-CB 3.49Å; F624-R655 HydrophobicContact CE2-CG 4.47Å; F624-R655 HydrophobicContact CZ-CB 3.9Å; F624-R655 HydrophobicContact CZ-CG 4.45Å; Y651-R655 HydrophobicContact CE1-CG 4.39Å; Y651-R655 HydrophobicContact CE2-CG 4.22Å; Y651-R655 PolarHBondContact O-N 3.4Å; Y652-R655 PolarHBondContact O-N 3.44Å; Y652-R655 VanDerWaalsContact O-N 3.16Å; R655-L658 WeakPolarHBondContact O-CB 3.2Å; R655-L658 PolarHBondContact O-N 3Å; R655-K659 WeakPolarHBondContact O-CG 3.44Å; R655-K659 PolarHBondContact O-N 3.05Å; R655-K659 VanDerWaalsContact O-N 3.13Å |
| 656 | C | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 175 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | W629 A632 V633 Y652 L653 A654 L658 K659 L660 | W629-C656 HydrophobicContact CB-CB 4.42Å; A632-C656 VanDerWaalsContact CB-SG 3.5Å; V633-C656 HydrophobicContact CG2-CB 3.5Å; V633-C656 VanDerWaalsContact CG2-CB 3.5Å; Y652-C656 PolarHBondContact O-N 3.08Å; Y652-C656 PolarHBondContact O-SG 3.23Å; L653-C656 WeakPolarHBondContact O-CB 3.43Å; L653-C656 PolarHBondContact O-N 2.76Å; A654-C656 VanDerWaalsContact C-N 3.32Å; A654-C656 PolarHBondContact O-N 3.38Å; C656-L658 VanDerWaalsContact C-N 3.3Å; C656-L658 PolarHBondContact O-N 3.47Å; C656-K659 PolarHBondContact O-N 3.22Å; C656-K659 VanDerWaalsContact O-N 3.14Å; C656-L660 WeakPolarHBondContact O-CG 3.38Å; C656-L660 PolarHBondContact O-N 3.49Å |
| 657 | L | 91.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 178.2 | -71.5 | 168.2 | 0 | 0 | 0 | 112.1 | V633 L653 A654 L660 F661 N662 K665 A666 E669 | V633-L657 HydrophobicContact CG2-CD2 4.48Å; V633-L657 HydrophobicContact CG2-CG 4.49Å; L653-L657 HydrophobicContact CD2-CD1 3.55Å; L653-L657 HydrophobicContact CD2-CG 4.43Å; L653-L657 HydrophobicContact CG-CD1 4.35Å; L653-L657 WeakPolarHBondContact O-CG 3.41Å; L653-L657 PolarHBondContact O-N 3.48Å; A654-L657 PolarHBondContact O-N 3.15Å; L657-L660 CarbonylContact O-C 3.28Å; L657-L660 PolarHBondContact O-N 3.12Å; L657-F661 PolarHBondContact O-N 2.85Å; L657-N662 HydrophobicContact CB-CB 4.47Å; L657-N662 HydrophobicContact CD2-CB 4.14Å; L657-N662 PolarHBondContact O-N 3.4Å; L657-K665 HydrophobicContact CD1-CB 3.75Å; L657-K665 HydrophobicContact CD2-CB 4.26Å; L657-A666 HydrophobicContact CB-CB 3.83Å; L657-E669 HydrophobicContact CD1-CG 4.48Å |
| 658 | L | 88.5 | Confident | 90.5 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 170.6 | -89.1 | 171.9 | 0 | 0 | 0 | 112.7 | A654 R655 C656 L660 F661 Y663 A666 L690 | A654-L658 WeakPolarHBondContact O-CB 3.39Å; A654-L658 PolarHBondContact O-N 2.93Å; R655-L658 WeakPolarHBondContact O-CB 3.2Å; R655-L658 PolarHBondContact O-N 3Å; C656-L658 VanDerWaalsContact C-N 3.3Å; C656-L658 PolarHBondContact O-N 3.47Å; L658-L660 VanDerWaalsContact C-N 3.26Å; L658-L660 PolarHBondContact O-N 3.4Å; L658-F661 PolarHBondContact O-N 3.25Å; L658-F661 VanDerWaalsContact O-N 3.12Å; L658-Y663 HydrophobicContact CD2-CD1 3.71Å; L658-Y663 HydrophobicContact CD2-CE1 3.93Å; L658-A666 HydrophobicContact CD2-CB 4.46Å; L658-A666 HydrophobicContact CG-CB 3.93Å; L658-L690 HydrophobicContact CD1-CD1 4.38Å; L658-L690 HydrophobicContact CD2-CD1 3.65Å; L658-L690 HydrophobicContact CD2-CG 3.9Å; L658-L690 HydrophobicContact CG-CD1 4.2Å |
| 659 | K | 86.2 | Confident | 90.6 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.4 | -26.3 | 176.5 | -63.8 | -70.9 | -169.8 | -178.3 | 0 | 112.8 | I345 W629 R655 C656 F661 | I345-K659 HydrophobicContact CG2-CD 4.39Å; I345-K659 PolarHBondContact O-NZ 2.86Å; W629-K659 HydrophobicContact CD2-CB 3.52Å; W629-K659 HydrophobicContact CD2-CG 3.81Å; W629-K659 HydrophobicContact CE3-CB 4.04Å; W629-K659 HydrophobicContact CE3-CG 3.89Å; W629-K659 HydrophobicContact CG-CB 3.75Å; W629-K659 HydrophobicContact CH2-CD 4.08Å; W629-K659 HydrophobicContact CH2-CG 3.87Å; W629-K659 HydrophobicContact CZ2-CB 4.11Å; W629-K659 HydrophobicContact CZ2-CD 3.82Å; W629-K659 HydrophobicContact CZ2-CG 3.76Å; W629-K659 HydrophobicContact CZ3-CG 3.92Å; R655-K659 WeakPolarHBondContact O-CG 3.44Å; R655-K659 PolarHBondContact O-N 3.05Å; R655-K659 VanDerWaalsContact O-N 3.13Å; C656-K659 PolarHBondContact O-N 3.22Å; C656-K659 VanDerWaalsContact O-N 3.14Å; K659-F661 VanDerWaalsContact C-N 3.27Å |
| 660 | L | 89 | Confident | 90.6 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 14.5 | 171.9 | -66.9 | 170 | 0 | 0 | 0 | 113.2 | W629 R630 V633 C656 L657 L658 N662 | W629-L660 HydrophobicContact CB-CD1 3.97Å; W629-L660 HydrophobicContact CB-CD2 3.97Å; W629-L660 HydrophobicContact CB-CG 3.72Å; W629-L660 HydrophobicContact CG-CG 4.48Å; R630-L660 HydrophobicContact CG-CD2 4.11Å; V633-L660 HydrophobicContact CG2-CD1 4.16Å; C656-L660 WeakPolarHBondContact O-CG 3.38Å; C656-L660 PolarHBondContact O-N 3.49Å; L657-L660 CarbonylContact O-C 3.28Å; L657-L660 PolarHBondContact O-N 3.12Å; L658-L660 VanDerWaalsContact C-N 3.26Å; L658-L660 PolarHBondContact O-N 3.4Å; L660-N662 PolarHBondContact O-N 3.07Å |
| 661 | F | 85.4 | Confident | 90.5 | Very high | 153 Ų | 153 | 47.6 Ų | 47.6 | 67% | 0.671 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 16.2 | -179.7 | -54.8 | -84.6 | 0 | 0 | 0 | 115.1 | L657 L658 K659 Y663 | L657-F661 PolarHBondContact O-N 2.85Å; L658-F661 PolarHBondContact O-N 3.25Å; L658-F661 VanDerWaalsContact O-N 3.12Å; K659-F661 VanDerWaalsContact C-N 3.27Å; F661-Y663 VanDerWaalsContact C-N 3.33Å; F661-Y663 HydrophobicContact CB-CE2 4.22Å; F661-Y663 HydrophobicContact CD1-CE2 4.49Å; F661-Y663 WeakPolarHBondContact O-CD2 3.43Å; F661-Y663 WeakPolarHBondContact O-CE2 3.47Å; F661-Y663 PolarHBondContact O-N 3.49Å; F661-Y663 VanDerWaalsContact O-N 3.15Å |
| 662 | N | 88.2 | Confident | 90.4 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | trans | -93.4 | 62.5 | -176.7 | -156.9 | -42 | 0 | 0 | 0 | 111.2 | L657 L660 N664 K665 A666 | L657-N662 HydrophobicContact CB-CB 4.47Å; L657-N662 HydrophobicContact CD2-CB 4.14Å; L657-N662 PolarHBondContact O-N 3.4Å; L660-N662 PolarHBondContact O-N 3.07Å; N662-N664 VanDerWaalsContact C-N 3.29Å; N662-N664 PolarHBondContact O-N 2.98Å; N662-K665 PolarHBondContact O-N 3.28Å; N662-K665 WeakPolarHBondContact OD1-CG 3.27Å; N662-A666 PolarHBondContact O-N 3.22Å; N662-A666 VanDerWaalsContact O-N 3.09Å | ||
| 663 | Y | 85.7 | Confident | 90.4 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.1 | -39.3 | -171.6 | -59.8 | -76.5 | 0 | 0 | 0 | 114 | P347 L658 F661 A666 L667 L690 | P347-Y663 HydrophobicContact CG-CE1 3.93Å; L658-Y663 HydrophobicContact CD2-CD1 3.71Å; L658-Y663 HydrophobicContact CD2-CE1 3.93Å; F661-Y663 VanDerWaalsContact C-N 3.33Å; F661-Y663 HydrophobicContact CB-CE2 4.22Å; F661-Y663 HydrophobicContact CD1-CE2 4.49Å; F661-Y663 WeakPolarHBondContact O-CD2 3.43Å; F661-Y663 WeakPolarHBondContact O-CE2 3.47Å; F661-Y663 PolarHBondContact O-N 3.49Å; F661-Y663 VanDerWaalsContact O-N 3.15Å; Y663-A666 PolarHBondContact O-N 3.1Å; Y663-L667 PolarHBondContact O-N 3.45Å; Y663-L690 HydrophobicContact CD1-CD2 4.38Å; Y663-L690 HydrophobicContact CD1-CG 4.41Å |
| 664 | N | 87.9 | Confident | 90.3 | Very high | 133 Ų | 133 | 48.6 Ų | 48.6 | 71% | 0.711 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.9 | -43.1 | -176.5 | -65.5 | -0.3 | 0 | 0 | 0 | 112 | N662 L667 A668 | N662-N664 VanDerWaalsContact C-N 3.29Å; N662-N664 PolarHBondContact O-N 2.98Å; N664-L667 PolarHBondContact O-N 3Å; N664-A668 PolarHBondContact O-N 3.2Å |
| 665 | K | 89.8 | Confident | 90.3 | Very high | 132 Ų | 132 | 57 Ų | 57 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 175.9 | -65.3 | -172.6 | -179.8 | -171 | 0 | 111.5 | L657 N662 L667 A668 E669 | L657-K665 HydrophobicContact CD1-CB 3.75Å; L657-K665 HydrophobicContact CD2-CB 4.26Å; N662-K665 PolarHBondContact O-N 3.28Å; N662-K665 WeakPolarHBondContact OD1-CG 3.27Å; K665-L667 VanDerWaalsContact C-N 3.32Å; K665-L667 PolarHBondContact O-N 3.34Å; K665-A668 PolarHBondContact O-N 3.42Å; K665-E669 PolarHBondContact O-N 2.89Å; K665-E669 VanDerWaalsContact O-N 3.1Å |
| 666 | A | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -41 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A654 L657 L658 N662 Y663 E669 L670 L690 | A654-A666 HydrophobicContact CB-CB 4.42Å; L657-A666 HydrophobicContact CB-CB 3.83Å; L658-A666 HydrophobicContact CD2-CB 4.46Å; L658-A666 HydrophobicContact CG-CB 3.93Å; N662-A666 PolarHBondContact O-N 3.22Å; N662-A666 VanDerWaalsContact O-N 3.09Å; Y663-A666 PolarHBondContact O-N 3.1Å; A666-E669 PolarHBondContact O-N 2.72Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 VanDerWaalsContact O-CG 3.31Å; A666-L670 WeakPolarHBondContact O-CG 3.08Å; A666-L670 PolarHBondContact O-N 3.03Å; A666-L690 HydrophobicContact CB-CD1 4.24Å |
| 667 | L | 90.5 | Very high | 90.2 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.6 | -82.6 | 172.9 | 0 | 0 | 0 | 112.4 | Y663 N664 K665 E669 L670 T671 R687 L690 L691 | Y663-L667 PolarHBondContact O-N 3.45Å; N664-L667 PolarHBondContact O-N 3Å; K665-L667 VanDerWaalsContact C-N 3.32Å; K665-L667 PolarHBondContact O-N 3.34Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 2.66Å; L667-L670 PolarHBondContact O-N 3.24Å; L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.22Å; L667-R687 HydrophobicContact CD2-CG 4.12Å; L667-L690 HydrophobicContact CD1-CD2 3.87Å; L667-L690 HydrophobicContact CD2-CD1 3.78Å; L667-L690 HydrophobicContact CD2-CD2 3.88Å; L667-L690 HydrophobicContact CD2-CG 4.27Å; L667-L690 HydrophobicContact CG-CD1 3.74Å; L667-L690 HydrophobicContact CG-CD2 3.77Å; L667-L690 HydrophobicContact CG-CG 4.38Å; L667-L691 HydrophobicContact CD1-CD2 3.96Å; L667-L691 HydrophobicContact CD2-CD1 4.39Å; L667-L691 HydrophobicContact CD2-CD2 3.5Å; L667-L691 HydrophobicContact CD2-CG 3.82Å; L667-L691 HydrophobicContact CG-CD2 4.41Å |
| 668 | A | 91.8 | Very high | 90 | Very high | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N664 K665 T671 T672 | N664-A668 PolarHBondContact O-N 3.2Å; K665-A668 PolarHBondContact O-N 3.42Å; A668-T671 VanDerWaalsContact C-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.37Å; A668-T671 PolarHBondContact O-N 2.87Å; A668-T671 PolarHBondContact O-OG1 2.95Å; A668-T672 PolarHBondContact O-N 3.39Å; A668-T672 PolarHBondContact O-OG1 3.25Å |
| 669 | E | 92.9 | Very high | 89.9 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75 | -28.7 | -178.4 | -69.1 | -74.3 | -178.6 | 0 | 0 | 113.3 | R650 L653 A654 L657 K665 A666 L667 T672 S673 | R650-E669 IonicContact CZ-OE2 3.91Å; R650-E669 IonicContact NH1-OE1 3.89Å; R650-E669 PolarHBondContact NH1-OE1 3.12Å; R650-E669 IonicContact NH1-OE2 3.62Å; R650-E669 PolarHBondContact NH1-OE2 3.13Å; L653-E669 HydrophobicContact CD2-CB 3.89Å; L653-E669 HydrophobicContact CD2-CG 3.44Å; L653-E669 VanDerWaalsContact CD2-CG 3.44Å; A654-E669 HydrophobicContact CB-CB 4.05Å; L657-E669 HydrophobicContact CD1-CG 4.48Å; K665-E669 PolarHBondContact O-N 2.89Å; K665-E669 VanDerWaalsContact O-N 3.1Å; A666-E669 PolarHBondContact O-N 2.72Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 2.66Å; E669-T672 WeakPolarHBondContact CA-OG1 3.26Å; E669-T672 PolarHBondContact O-OG1 3.22Å; E669-T672 PolarHBondContact OE2-OG1 3.05Å; E669-S673 WeakPolarHBondContact O-CB 3.18Å; E669-S673 PolarHBondContact O-N 2.72Å |
| 670 | L | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.6 | -34.2 | 166.6 | -71.9 | 168.6 | 0 | 0 | 0 | 112.2 | Y651 A654 A666 L667 L674 A683 T686 R687 L690 | Y651-L670 HydrophobicContact CD2-CD2 3.98Å; A654-L670 HydrophobicContact CB-CD1 4.38Å; A654-L670 HydrophobicContact CB-CD2 3.95Å; A654-L670 HydrophobicContact CB-CG 3.66Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 VanDerWaalsContact O-CG 3.31Å; A666-L670 WeakPolarHBondContact O-CG 3.08Å; A666-L670 PolarHBondContact O-N 3.03Å; L667-L670 PolarHBondContact O-N 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.44Å; L670-L674 WeakPolarHBondContact O-CG 3.49Å; L670-L674 PolarHBondContact O-N 3.46Å; L670-L674 VanDerWaalsContact O-N 3.16Å; L670-A683 HydrophobicContact CD2-CB 3.93Å; L670-T686 WeakPolarHBondContact CD2-OG1 3.43Å; L670-R687 HydrophobicContact CB-CB 4.16Å; L670-R687 HydrophobicContact CB-CG 4.07Å; L670-R687 HydrophobicContact CD1-CB 4.02Å; L670-R687 HydrophobicContact CD1-CG 4.33Å; L670-L690 HydrophobicContact CD1-CD1 4.26Å |
| 671 | T | 92.8 | Very high | 90.2 | Very high | 70 Ų | 70 | 67.4 Ų | 67.4 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | L667 A668 Y675 | L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.22Å; A668-T671 VanDerWaalsContact C-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.37Å; A668-T671 PolarHBondContact O-N 2.87Å; A668-T671 PolarHBondContact O-OG1 2.95Å; T671-Y675 PolarHBondContact O-N 3.45Å |
| 672 | T | 91.8 | Very high | 90.4 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.4 | -37.1 | 176 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | R650 A668 E669 L674 Y675 Y676 | R650-T672 WeakPolarHBondContact CD-OG1 3.42Å; R650-T672 PolarHBondContact NH1-OG1 3.46Å; A668-T672 PolarHBondContact O-N 3.39Å; A668-T672 PolarHBondContact O-OG1 3.25Å; E669-T672 WeakPolarHBondContact CA-OG1 3.26Å; E669-T672 PolarHBondContact O-OG1 3.22Å; E669-T672 PolarHBondContact OE2-OG1 3.05Å; T672-L674 VanDerWaalsContact C-N 3.29Å; T672-L674 PolarHBondContact O-N 3.4Å; T672-Y675 WeakPolarHBondContact O-CB 3.14Å; T672-Y675 PolarHBondContact O-N 3.42Å; T672-Y675 VanDerWaalsContact O-N 3.16Å; T672-Y676 WeakPolarHBondContact O-CD2 3.29Å; T672-Y676 PolarHBondContact O-N 3.05Å |
| 673 | S | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.7 | -46.9 | 170.3 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | Y647 E669 Y676 Q677 | Y647-S673 WeakPolarHBondContact CB-O 3.36Å; Y647-S673 PolarHBondContact O-OG 3.35Å; E669-S673 WeakPolarHBondContact O-CB 3.18Å; E669-S673 PolarHBondContact O-N 2.72Å; S673-Y676 PolarHBondContact O-N 2.89Å; S673-Q677 PolarHBondContact O-N 3.11Å |
| 674 | L | 91.5 | Very high | 90.8 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -79.5 | -13.3 | 179.5 | -69.6 | 168.4 | 0 | 0 | 0 | 114.7 | L670 T672 P678 A683 L684 R687 | L670-L674 WeakPolarHBondContact O-CB 3.44Å; L670-L674 WeakPolarHBondContact O-CG 3.49Å; L670-L674 PolarHBondContact O-N 3.46Å; L670-L674 VanDerWaalsContact O-N 3.16Å; T672-L674 VanDerWaalsContact C-N 3.29Å; T672-L674 PolarHBondContact O-N 3.4Å; L674-P678 VanDerWaalsContact O-CA 3.32Å; L674-P678 WeakPolarHBondContact O-CA 3.18Å; L674-P678 WeakPolarHBondContact O-CG 3.49Å; L674-A683 HydrophobicContact CD1-CB 4.12Å; L674-A683 HydrophobicContact CD2-CB 3.83Å; L674-A683 HydrophobicContact CG-CB 3.82Å; L674-L684 HydrophobicContact CD1-CD2 3.84Å; L674-L684 HydrophobicContact CD1-CG 4.2Å; L674-L684 HydrophobicContact CD2-CD2 4.02Å; L674-L684 HydrophobicContact CD2-CG 3.74Å; L674-R687 VanDerWaalsContact CD1-CZ 3.45Å |
| 675 | Y | 91.4 | Very high | 90.9 | Very high | 178 Ų | 178 | 50.1 Ų | 50.1 | 70% | 0.698 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -72.5 | -43.4 | 168.2 | 176.3 | -95.5 | 0 | 0 | 0 | 110.8 | T671 T672 | T671-Y675 PolarHBondContact O-N 3.45Å; T672-Y675 WeakPolarHBondContact O-CB 3.14Å; T672-Y675 PolarHBondContact O-N 3.42Å; T672-Y675 VanDerWaalsContact O-N 3.16Å |
| 676 | Y | 91.6 | Very high | 91 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -76.9 | -34.5 | 177.6 | -65.5 | -65.4 | 0 | 0 | 0 | 113.5 | P644 T672 S673 | P644-Y676 WeakPolarHBondContact O-CE2 3.37Å; T672-Y676 WeakPolarHBondContact O-CD2 3.29Å; T672-Y676 PolarHBondContact O-N 3.05Å; S673-Y676 PolarHBondContact O-N 2.89Å |
| 677 | Q | 90.1 | Very high | 90.9 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | trans | -136.6 | 85.8 | 175.8 | -173 | 65.5 | -6 | 0 | 0 | 111.7 | Y647 S673 I679 Y680 | Y647-Q677 HydrophobicContact CD1-CB 3.72Å; Y647-Q677 HydrophobicContact CD1-CG 4.28Å; Y647-Q677 HydrophobicContact CD2-CB 3.68Å; Y647-Q677 HydrophobicContact CD2-CG 4Å; Y647-Q677 HydrophobicContact CE1-CB 4.15Å; Y647-Q677 HydrophobicContact CE1-CG 4.2Å; Y647-Q677 HydrophobicContact CE2-CB 4.1Å; Y647-Q677 HydrophobicContact CE2-CG 3.91Å; Y647-Q677 HydrophobicContact CG-CB 3.47Å; Y647-Q677 VanDerWaalsContact CG-CB 3.47Å; Y647-Q677 HydrophobicContact CG-CG 4.19Å; S673-Q677 PolarHBondContact O-N 3.11Å; Q677-I679 PolarHBondContact O-N 3.28Å; Q677-I679 VanDerWaalsContact O-N 3.11Å; Q677-Y680 WeakPolarHBondContact O-CB 3.44Å; Q677-Y680 PolarHBondContact O-N 3.49Å; Q677-Y680 VanDerWaalsContact O-N 3.09Å | ||
| 678 | P | 87.7 | Confident | 90.8 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.9 | -179 | -26.3 | 34.9 | 0 | 0 | 0 | 114.6 | L674 Y680 | L674-P678 VanDerWaalsContact O-CA 3.32Å; L674-P678 WeakPolarHBondContact O-CA 3.18Å; L674-P678 WeakPolarHBondContact O-CG 3.49Å; P678-Y680 PolarHBondContact O-N 3.32Å |
| 679 | I | 86.5 | Confident | 90.5 | Very high | 106 Ų | 106 | 43.5 Ų | 43.5 | 54% | 0.544 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.7 | -177 | -50.5 | -178.7 | 0 | 0 | 0 | 111.5 | Q677 Y681 I709 | Q677-I679 PolarHBondContact O-N 3.28Å; Q677-I679 VanDerWaalsContact O-N 3.11Å; I679-Y681 PolarHBondContact O-N 3.25Å; I679-I709 HydrophobicContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact O-CG2 3.26Å; I679-I709 WeakPolarHBondContact O-CG2 3.43Å |
| 680 | Y | 90.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | trans | -78.4 | 81.8 | -176.5 | -162.5 | -127.3 | 0 | 0 | 0 | 113.1 | Y647 E648 Y651 Q677 P678 K682 A683 L684 | Y647-Y680 AromaticContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD2 4Å; Y647-Y680 HydrophobicContact CD2-CE1 4.25Å; Y647-Y680 HydrophobicContact CD2-CE2 4.25Å; Y647-Y680 AromaticContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CE2-CD1 4.3Å; Y647-Y680 AromaticContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CE1 4.45Å; Y647-Y680 AromaticContact CE2-CE2 3.66Å; Y647-Y680 HydrophobicContact CE2-CE2 3.66Å; Y647-Y680 AromaticContact CE2-CG 3.86Å; Y647-Y680 HydrophobicContact CE2-CG 3.86Å; E648-Y680 HydrophobicContact CG-CE2 4.29Å; E648-Y680 WeakPolarHBondContact OE1-CE2 3.43Å; E648-Y680 VanDerWaalsContact OE1-CZ 3.29Å; E648-Y680 PolarHBondContact OE1-OH 3.43Å; Y651-Y680 AromaticContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD2-CE1 4.07Å; Y651-Y680 HydrophobicContact CE1-CE1 4.38Å; Y651-Y680 HydrophobicContact CG-CD1 4.48Å; Y651-Y680 AromaticContact CG-CE1 3.59Å; Y651-Y680 HydrophobicContact CG-CE1 3.59Å; Q677-Y680 WeakPolarHBondContact O-CB 3.44Å; Q677-Y680 PolarHBondContact O-N 3.49Å; Q677-Y680 VanDerWaalsContact O-N 3.09Å; P678-Y680 PolarHBondContact O-N 3.32Å; Y680-K682 HydrophobicContact CD1-CB 4.33Å; Y680-K682 HydrophobicContact CE1-CB 3.93Å; Y680-K682 HydrophobicContact CE2-CB 4.37Å; Y680-K682 HydrophobicContact CE2-CD 4.09Å; Y680-K682 PolarHBondContact O-N 3.05Å; Y680-A683 HydrophobicContact CD1-CB 3.58Å; Y680-A683 HydrophobicContact CE1-CB 4.26Å; Y680-A683 PolarHBondContact O-N 3.39Å; Y680-L684 PolarHBondContact O-N 3.08Å | ||
| 681 | Y | 90 | Very high | 90 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.4 | -31.8 | -177.3 | 67.6 | -97.3 | 0 | 0 | 0 | 114.4 | I679 L684 F685 Y714 | I679-Y681 PolarHBondContact O-N 3.25Å; Y681-L684 PolarHBondContact O-N 3.24Å; Y681-F685 WeakPolarHBondContact O-CB 3.36Å; Y681-F685 PolarHBondContact O-N 3.3Å; Y681-Y714 HydrophobicContact CD2-CD1 4.22Å; Y681-Y714 HydrophobicContact CD2-CD2 4.09Å; Y681-Y714 AromaticContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CE2-CD1 4.41Å; Y681-Y714 AromaticContact CE2-CD2 3.57Å; Y681-Y714 HydrophobicContact CE2-CD2 3.57Å; Y681-Y714 AromaticContact CE2-CE2 3.88Å; Y681-Y714 HydrophobicContact CE2-CE2 3.88Å; Y681-Y714 AromaticContact CE2-CG 3.85Å; Y681-Y714 HydrophobicContact CE2-CG 3.85Å |
| 682 | K | 90.3 | Very high | 89.4 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 21% | 0.213 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 176 | -70.6 | -177.9 | -177.5 | 170.9 | 0 | 111.9 | Y651 Y680 T686 | Y651-K682 HydrophobicContact CE1-CB 4.24Å; Y651-K682 HydrophobicContact CE1-CD 4.3Å; Y651-K682 HydrophobicContact CE2-CB 3.99Å; Y651-K682 WeakPolarHBondContact CE2-O 3.37Å; Y680-K682 HydrophobicContact CD1-CB 4.33Å; Y680-K682 HydrophobicContact CE1-CB 3.93Å; Y680-K682 HydrophobicContact CE2-CB 4.37Å; Y680-K682 HydrophobicContact CE2-CD 4.09Å; Y680-K682 PolarHBondContact O-N 3.05Å; K682-T686 PolarHBondContact O-N 3.45Å; K682-T686 PolarHBondContact O-OG1 2.87Å |
| 683 | A | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.1 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y651 L670 L674 Y680 F685 T686 R687 | Y651-A683 HydrophobicContact CD2-CB 3.79Å; Y651-A683 HydrophobicContact CE2-CB 4.41Å; L670-A683 HydrophobicContact CD2-CB 3.93Å; L674-A683 HydrophobicContact CD1-CB 4.12Å; L674-A683 HydrophobicContact CD2-CB 3.83Å; L674-A683 HydrophobicContact CG-CB 3.82Å; Y680-A683 HydrophobicContact CD1-CB 3.58Å; Y680-A683 HydrophobicContact CE1-CB 4.26Å; Y680-A683 PolarHBondContact O-N 3.39Å; A683-F685 PolarHBondContact O-N 3.36Å; A683-T686 WeakPolarHBondContact CA-OG1 3.48Å; A683-T686 PolarHBondContact O-N 3.35Å; A683-T686 PolarHBondContact O-OG1 3.2Å; A683-R687 WeakPolarHBondContact O-CB 3.41Å; A683-R687 PolarHBondContact O-N 2.86Å |
| 684 | L | 91.8 | Very high | 88 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.4 | -48.8 | 173.3 | -74 | 169.4 | 0 | 0 | 0 | 111.3 | L674 Y680 Y681 T686 R687 G688 D702 L705 C706 I709 | L674-L684 HydrophobicContact CD1-CD2 3.84Å; L674-L684 HydrophobicContact CD1-CG 4.2Å; L674-L684 HydrophobicContact CD2-CD2 4.02Å; L674-L684 HydrophobicContact CD2-CG 3.74Å; Y680-L684 PolarHBondContact O-N 3.08Å; Y681-L684 PolarHBondContact O-N 3.24Å; L684-T686 PolarHBondContact O-N 3.27Å; L684-R687 PolarHBondContact O-N 3.31Å; L684-G688 PolarHBondContact O-N 3.09Å; L684-D702 HydrophobicContact CD2-CB 4.35Å; L684-L705 HydrophobicContact CD1-CB 3.71Å; L684-L705 HydrophobicContact CD2-CB 4.19Å; L684-L705 HydrophobicContact CD2-CD1 4.14Å; L684-C706 HydrophobicContact CB-CB 4.1Å; L684-I709 HydrophobicContact CD1-CD1 4.29Å |
| 685 | F | 90.8 | Very high | 87.6 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 177.1 | -177 | -107.2 | 0 | 0 | 0 | 112.3 | Y681 A683 G688 C689 L703 Y714 M717 A718 Q721 | Y681-F685 WeakPolarHBondContact O-CB 3.36Å; Y681-F685 PolarHBondContact O-N 3.3Å; A683-F685 PolarHBondContact O-N 3.36Å; F685-G688 PolarHBondContact O-N 3.36Å; F685-C689 VanDerWaalsContact CZ-SG 3.54Å; F685-C689 PolarHBondContact O-N 3.41Å; F685-C689 PolarHBondContact O-SG 3Å; F685-L703 HydrophobicContact CD2-CD2 3.92Å; F685-L703 HydrophobicContact CE2-CD2 4.29Å; F685-Y714 HydrophobicContact CB-CD1 4.05Å; F685-Y714 HydrophobicContact CB-CE1 4.42Å; F685-Y714 HydrophobicContact CD1-CD1 4.08Å; F685-Y714 HydrophobicContact CD1-CE1 4.03Å; F685-Y714 AromaticContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CE1 4.34Å; F685-M717 HydrophobicContact CE1-CE 4.08Å; F685-M717 HydrophobicContact CE2-CB 3.87Å; F685-M717 HydrophobicContact CZ-CB 3.92Å; F685-M717 HydrophobicContact CZ-CE 3.94Å; F685-A718 HydrophobicContact CD2-CB 4.07Å; F685-A718 HydrophobicContact CE2-CB 4.37Å; F685-Q721 HydrophobicContact CE2-CG 4.19Å; F685-Q721 HydrophobicContact CZ-CG 4.34Å |
| 686 | T | 90.4 | Very high | 87.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | -179.4 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | Y651 L670 K682 A683 L684 C689 L690 | Y651-T686 HydrophobicContact CE2-CG2 3.89Å; L670-T686 WeakPolarHBondContact CD2-OG1 3.43Å; K682-T686 PolarHBondContact O-N 3.45Å; K682-T686 PolarHBondContact O-OG1 2.87Å; A683-T686 WeakPolarHBondContact CA-OG1 3.48Å; A683-T686 PolarHBondContact O-N 3.35Å; A683-T686 PolarHBondContact O-OG1 3.2Å; L684-T686 PolarHBondContact O-N 3.27Å; T686-C689 PolarHBondContact O-N 3.2Å; T686-L690 WeakPolarHBondContact O-CB 3.33Å; T686-L690 PolarHBondContact O-N 3.25Å |
| 687 | R | 90 | Very high | 87 | Confident | 32 Ų | 32 | 45 Ų | 45 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -41 | 176.4 | -160.5 | 175.3 | 71.9 | -170.8 | 1.5 | 110.6 | L667 L670 L674 A683 L684 L690 L691 D702 | L667-R687 HydrophobicContact CD2-CG 4.12Å; L670-R687 HydrophobicContact CB-CB 4.16Å; L670-R687 HydrophobicContact CB-CG 4.07Å; L670-R687 HydrophobicContact CD1-CB 4.02Å; L670-R687 HydrophobicContact CD1-CG 4.33Å; L674-R687 VanDerWaalsContact CD1-CZ 3.45Å; A683-R687 WeakPolarHBondContact O-CB 3.41Å; A683-R687 PolarHBondContact O-N 2.86Å; L684-R687 PolarHBondContact O-N 3.31Å; R687-L690 PolarHBondContact O-N 3.03Å; R687-L691 HydrophobicContact CG-CD1 3.96Å; R687-L691 HydrophobicContact CG-CG 4.43Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.49Å; R687-L691 PolarHBondContact O-N 3.13Å; R687-D702 WeakPolarHBondContact CG-OD2 3.21Å; R687-D702 IonicContact CZ-OD1 3.96Å; R687-D702 IonicContact CZ-OD2 2.69Å; R687-D702 IonicContact NE-OD1 3.75Å; R687-D702 IonicContact NE-OD2 3.78Å; R687-D702 PolarHBondContact NE-OD2 3.03Å; R687-D702 IonicContact NH2-OD1 3.69Å; R687-D702 PolarHBondContact NH2-OD1 2.96Å; R687-D702 IonicContact NH2-OD2 2.7Å; R687-D702 PolarHBondContact NH2-OD2 3.39Å |
| 688 | G | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.8 | -56.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L684 F685 L690 L691 T692 S699 | L684-G688 PolarHBondContact O-N 3.09Å; F685-G688 PolarHBondContact O-N 3.36Å; G688-L690 PolarHBondContact O-N 3.25Å; G688-L691 PolarHBondContact O-N 3.13Å; G688-T692 PolarHBondContact O-N 3.18Å; G688-S699 WeakPolarHBondContact O-CB 3.43Å; G688-S699 PolarHBondContact O-OG 3.29Å |
| 689 | C | 86.4 | Confident | 87 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | -179.7 | -64.8 | 0 | 0 | 0 | 0 | 113 | F685 T686 T692 | F685-C689 VanDerWaalsContact CZ-SG 3.54Å; F685-C689 PolarHBondContact O-N 3.41Å; F685-C689 PolarHBondContact O-SG 3Å; T686-C689 PolarHBondContact O-N 3.2Å; C689-T692 WeakPolarHBondContact O-CB 3.21Å; C689-T692 WeakPolarHBondContact O-CG2 3.45Å; C689-T692 PolarHBondContact O-N 3.36Å; C689-T692 PolarHBondContact O-OG1 3.22Å |
| 690 | L | 87.6 | Confident | 87.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 177.7 | -160.5 | 176.3 | 0 | 0 | 0 | 111.4 | L658 Y663 A666 L667 L670 T686 R687 G688 T692 | L658-L690 HydrophobicContact CD1-CD1 4.38Å; L658-L690 HydrophobicContact CD2-CD1 3.65Å; L658-L690 HydrophobicContact CD2-CG 3.9Å; L658-L690 HydrophobicContact CG-CD1 4.2Å; Y663-L690 HydrophobicContact CD1-CD2 4.38Å; Y663-L690 HydrophobicContact CD1-CG 4.41Å; A666-L690 HydrophobicContact CB-CD1 4.24Å; L667-L690 HydrophobicContact CD1-CD2 3.87Å; L667-L690 HydrophobicContact CD2-CD1 3.78Å; L667-L690 HydrophobicContact CD2-CD2 3.88Å; L667-L690 HydrophobicContact CD2-CG 4.27Å; L667-L690 HydrophobicContact CG-CD1 3.74Å; L667-L690 HydrophobicContact CG-CD2 3.77Å; L667-L690 HydrophobicContact CG-CG 4.38Å; L670-L690 HydrophobicContact CD1-CD1 4.26Å; T686-L690 WeakPolarHBondContact O-CB 3.33Å; T686-L690 PolarHBondContact O-N 3.25Å; R687-L690 PolarHBondContact O-N 3.03Å; G688-L690 PolarHBondContact O-N 3.25Å; L690-T692 PolarHBondContact O-N 3.47Å |
| 691 | L | 86.9 | Confident | 87 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.3 | -4.3 | -177.3 | -68 | 177.2 | 0 | 0 | 0 | 114.6 | L667 R687 G688 K693 A694 C695 Q698 | L667-L691 HydrophobicContact CD1-CD2 3.96Å; L667-L691 HydrophobicContact CD2-CD1 4.39Å; L667-L691 HydrophobicContact CD2-CD2 3.5Å; L667-L691 HydrophobicContact CD2-CG 3.82Å; L667-L691 HydrophobicContact CG-CD2 4.41Å; R687-L691 HydrophobicContact CG-CD1 3.96Å; R687-L691 HydrophobicContact CG-CG 4.43Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.49Å; R687-L691 PolarHBondContact O-N 3.13Å; G688-L691 PolarHBondContact O-N 3.13Å; L691-K693 VanDerWaalsContact C-N 3.35Å; L691-K693 PolarHBondContact O-N 3.12Å; L691-A694 PolarHBondContact O-N 3.21Å; L691-C695 HydrophobicContact CD2-CB 4.21Å; L691-C695 CarbonylContact O-C 3.4Å; L691-C695 PolarHBondContact O-N 3.36Å; L691-Q698 HydrophobicContact CD1-CB 4.04Å; L691-Q698 HydrophobicContact CD1-CG 3.72Å |
| 692 | T | 81 | Confident | 87 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -43 | -54.7 | 179.7 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | G688 C689 L690 I725 | G688-T692 PolarHBondContact O-N 3.18Å; C689-T692 WeakPolarHBondContact O-CB 3.21Å; C689-T692 WeakPolarHBondContact O-CG2 3.45Å; C689-T692 PolarHBondContact O-N 3.36Å; C689-T692 PolarHBondContact O-OG1 3.22Å; L690-T692 PolarHBondContact O-N 3.47Å; T692-I725 HydrophobicContact CG2-CD1 3.87Å; T692-I725 HydrophobicContact CG2-CG1 3.89Å |
| 693 | K | 73 | Confident | 87 | Confident | 109 Ų | 109 | 39.5 Ų | 39.5 | 47% | 0.474 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -87.4 | -31.8 | -176.8 | -65.6 | -170.1 | 172.5 | -168.6 | 0 | 113.9 | G348 C350 L691 | G348-K693 PolarHBondContact O-NZ 3.16Å; C350-K693 PolarHBondContact O-NZ 3.29Å; L691-K693 VanDerWaalsContact C-N 3.35Å; L691-K693 PolarHBondContact O-N 3.12Å |
| 694 | A | 81.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 60% | 0.595 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -87.9 | -41.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L691 | L691-A694 PolarHBondContact O-N 3.21Å |
| 695 | C | 84.2 | Confident | 87 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | trans | -145.5 | 70.2 | -177.9 | -74.6 | 0 | 0 | 0 | 0 | 109.9 | L691 L697 Q698 S699 | L691-C695 HydrophobicContact CD2-CB 4.21Å; L691-C695 CarbonylContact O-C 3.4Å; L691-C695 PolarHBondContact O-N 3.36Å; C695-L697 PolarHBondContact O-N 3.07Å; C695-L697 VanDerWaalsContact O-N 3.1Å; C695-Q698 HydrophobicContact CB-CB 4.32Å; C695-Q698 PolarHBondContact O-N 2.93Å; C695-S699 PolarHBondContact O-N 3.37Å | ||
| 696 | P | 84 | Confident | 87 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.1 | -31.8 | -173.4 | 19.3 | -32.2 | 0 | 0 | 0 | 113.3 | Q698 S699 L700 I725 L729 | P696-Q698 PolarHBondContact O-N 3.16Å; P696-S699 WeakPolarHBondContact O-CB 3.5Å; P696-S699 PolarHBondContact O-N 3.11Å; P696-L700 VanDerWaalsContact O-CG 3.26Å; P696-L700 WeakPolarHBondContact O-CG 3.42Å; P696-L700 PolarHBondContact O-N 2.97Å; P696-I725 HydrophobicContact CB-CG2 3.92Å; P696-L729 HydrophobicContact CB-CD1 4.26Å; P696-L729 HydrophobicContact CB-CD2 4.16Å; P696-L729 HydrophobicContact CB-CG 4.47Å; P696-L729 HydrophobicContact CG-CD2 4.07Å |
| 697 | L | 86.1 | Confident | 86.8 | Confident | 121 Ų | 121 | 44 Ų | 44 | 63% | 0.634 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.3 | -37 | 175.6 | -67.6 | 175.7 | 0 | 0 | 0 | 113.4 | C695 R701 | C695-L697 PolarHBondContact O-N 3.07Å; C695-L697 VanDerWaalsContact O-N 3.1Å; L697-R701 PolarHBondContact O-N 2.89Å |
| 698 | Q | 86.8 | Confident | 86.7 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79.5 | -35.3 | 176 | -173 | 58.4 | 39.7 | 0 | 0 | 111.2 | L691 C695 P696 L700 R701 D702 | L691-Q698 HydrophobicContact CD1-CB 4.04Å; L691-Q698 HydrophobicContact CD1-CG 3.72Å; C695-Q698 HydrophobicContact CB-CB 4.32Å; C695-Q698 PolarHBondContact O-N 2.93Å; P696-Q698 PolarHBondContact O-N 3.16Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.08Å; Q698-R701 WeakPolarHBondContact O-CB 3.24Å; Q698-R701 PolarHBondContact O-N 3.02Å; Q698-R701 VanDerWaalsContact O-N 3.15Å; Q698-R701 VanDerWaalsContact OE1-CD 3.24Å; Q698-D702 PolarHBondContact NE2-OD1 3.29Å; Q698-D702 PolarHBondContact O-N 2.83Å |
| 699 | S | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.6 | -47.3 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | G688 C695 P696 R701 D702 L703 I725 | G688-S699 WeakPolarHBondContact O-CB 3.43Å; G688-S699 PolarHBondContact O-OG 3.29Å; C695-S699 PolarHBondContact O-N 3.37Å; P696-S699 WeakPolarHBondContact O-CB 3.5Å; P696-S699 PolarHBondContact O-N 3.11Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 3.23Å; S699-D702 PolarHBondContact O-N 3.31Å; S699-L703 WeakPolarHBondContact O-CB 3.45Å; S699-L703 WeakPolarHBondContact O-CG 3.47Å; S699-L703 PolarHBondContact O-N 3.44Å; S699-I725 WeakPolarHBondContact OG-CD1 3.38Å |
| 700 | L | 89.2 | Confident | 86.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 176.8 | -70.1 | 175.6 | 0 | 0 | 0 | 113.3 | P696 Q698 T704 R722 I725 L726 L729 | P696-L700 VanDerWaalsContact O-CG 3.26Å; P696-L700 WeakPolarHBondContact O-CG 3.42Å; P696-L700 PolarHBondContact O-N 2.97Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.08Å; L700-T704 VanDerWaalsContact O-CB 3.25Å; L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 2.97Å; L700-T704 PolarHBondContact O-OG1 3.34Å; L700-R722 HydrophobicContact CD2-CG 3.57Å; L700-I725 HydrophobicContact CD2-CB 4.04Å; L700-I725 HydrophobicContact CD2-CD1 4.38Å; L700-I725 HydrophobicContact CD2-CG2 3.81Å; L700-I725 HydrophobicContact CG-CG2 4.03Å; L700-L726 HydrophobicContact CD1-CD2 3.99Å; L700-L726 HydrophobicContact CD2-CD1 4.46Å; L700-L726 HydrophobicContact CD2-CD2 4.02Å; L700-L726 HydrophobicContact CD2-CG 3.87Å; L700-L729 HydrophobicContact CD1-CD1 3.84Å |
| 701 | R | 88.8 | Confident | 85.9 | Confident | 163 Ų | 163 | 56.7 Ų | 56.7 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.8 | -51 | 174.9 | -72.1 | 168.2 | 170.3 | 173.2 | -4.7 | 111 | L697 Q698 S699 L703 T704 L705 | L697-R701 PolarHBondContact O-N 2.89Å; Q698-R701 WeakPolarHBondContact O-CB 3.24Å; Q698-R701 PolarHBondContact O-N 3.02Å; Q698-R701 VanDerWaalsContact O-N 3.15Å; Q698-R701 VanDerWaalsContact OE1-CD 3.24Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 3.23Å; R701-L703 PolarHBondContact O-N 3.43Å; R701-T704 PolarHBondContact O-N 2.96Å; R701-T704 VanDerWaalsContact O-N 3.17Å; R701-L705 PolarHBondContact O-N 3.36Å |
| 702 | D | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | -177.9 | -65.3 | -9.7 | 0 | 0 | 0 | 111.6 | L684 R687 Q698 S699 L705 C706 | L684-D702 HydrophobicContact CD2-CB 4.35Å; R687-D702 WeakPolarHBondContact CG-OD2 3.21Å; R687-D702 IonicContact CZ-OD1 3.96Å; R687-D702 IonicContact CZ-OD2 2.69Å; R687-D702 IonicContact NE-OD1 3.75Å; R687-D702 IonicContact NE-OD2 3.78Å; R687-D702 PolarHBondContact NE-OD2 3.03Å; R687-D702 IonicContact NH2-OD1 3.69Å; R687-D702 PolarHBondContact NH2-OD1 2.96Å; R687-D702 IonicContact NH2-OD2 2.7Å; R687-D702 PolarHBondContact NH2-OD2 3.39Å; Q698-D702 PolarHBondContact NE2-OD1 3.29Å; Q698-D702 PolarHBondContact O-N 2.83Å; S699-D702 PolarHBondContact O-N 3.31Å; D702-L705 PolarHBondContact O-N 3.05Å; D702-C706 WeakPolarHBondContact O-CB 3.41Å; D702-C706 PolarHBondContact O-N 3.28Å |
| 703 | L | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 175.3 | -68 | 171.4 | 0 | 0 | 0 | 112 | F685 S699 R701 C706 I707 A718 Q721 R722 I725 | F685-L703 HydrophobicContact CD2-CD2 3.92Å; F685-L703 HydrophobicContact CE2-CD2 4.29Å; S699-L703 WeakPolarHBondContact O-CB 3.45Å; S699-L703 WeakPolarHBondContact O-CG 3.47Å; S699-L703 PolarHBondContact O-N 3.44Å; R701-L703 PolarHBondContact O-N 3.43Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.48Å; L703-I707 WeakPolarHBondContact O-CD1 3.34Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.41Å; L703-I707 PolarHBondContact O-N 2.7Å; L703-A718 HydrophobicContact CD2-CB 4.14Å; L703-Q721 HydrophobicContact CD1-CB 4.04Å; L703-Q721 HydrophobicContact CD2-CB 4.33Å; L703-R722 HydrophobicContact CB-CB 4.33Å; L703-R722 HydrophobicContact CD1-CB 4.29Å; L703-I725 HydrophobicContact CD1-CD1 3.36Å |
| 704 | T | 91.9 | Very high | 86.2 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.1 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L700 R701 C706 I707 Y708 R722 | L700-T704 VanDerWaalsContact O-CB 3.25Å; L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 2.97Å; L700-T704 PolarHBondContact O-OG1 3.34Å; R701-T704 PolarHBondContact O-N 2.96Å; R701-T704 VanDerWaalsContact O-N 3.17Å; T704-C706 VanDerWaalsContact C-N 3.33Å; T704-C706 PolarHBondContact O-N 2.95Å; T704-I707 PolarHBondContact O-N 3.22Å; T704-Y708 HydrophobicContact CG2-CD2 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.87Å; T704-Y708 VanDerWaalsContact O-CD2 3.26Å; T704-Y708 WeakPolarHBondContact O-CD2 3.33Å; T704-Y708 PolarHBondContact O-N 3.08Å; T704-R722 WeakPolarHBondContact OG1-CD 3.48Å; T704-R722 PolarHBondContact OG1-NH1 3.13Å |
| 705 | L | 90.1 | Very high | 86.3 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 44% | 0.44 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 172.6 | -68.3 | 170.6 | 0 | 0 | 0 | 111.7 | L684 R701 D702 I707 Y708 I709 | L684-L705 HydrophobicContact CD1-CB 3.71Å; L684-L705 HydrophobicContact CD2-CB 4.19Å; L684-L705 HydrophobicContact CD2-CD1 4.14Å; R701-L705 PolarHBondContact O-N 3.36Å; D702-L705 PolarHBondContact O-N 3.05Å; L705-I707 VanDerWaalsContact C-N 3.27Å; L705-I707 PolarHBondContact O-N 3.41Å; L705-Y708 PolarHBondContact O-N 3.05Å; L705-I709 WeakPolarHBondContact O-CB 3.48Å; L705-I709 VanDerWaalsContact O-CG1 3.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.17Å; L705-I709 PolarHBondContact O-N 3.33Å; L705-I709 VanDerWaalsContact O-N 3.14Å |
| 706 | C | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -34.4 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | L684 D702 L703 T704 G710 A718 | L684-C706 HydrophobicContact CB-CB 4.1Å; D702-C706 WeakPolarHBondContact O-CB 3.41Å; D702-C706 PolarHBondContact O-N 3.28Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.48Å; T704-C706 VanDerWaalsContact C-N 3.33Å; T704-C706 PolarHBondContact O-N 2.95Å; C706-G710 WeakPolarHBondContact O-CA 3.31Å; C706-G710 PolarHBondContact O-N 3.04Å; C706-A718 HydrophobicContact CB-CB 4.18Å |
| 707 | I | 88.1 | Confident | 86.4 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 177.4 | -67.3 | 158.7 | 0 | 0 | 0 | 111.2 | L703 T704 L705 Q715 A718 L719 | L703-I707 WeakPolarHBondContact O-CD1 3.34Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.41Å; L703-I707 PolarHBondContact O-N 2.7Å; T704-I707 PolarHBondContact O-N 3.22Å; L705-I707 VanDerWaalsContact C-N 3.27Å; L705-I707 PolarHBondContact O-N 3.41Å; I707-Q715 WeakPolarHBondContact O-CG 3.32Å; I707-Q715 PolarHBondContact O-NE2 3.04Å; I707-A718 HydrophobicContact CD1-CB 4.28Å; I707-A718 HydrophobicContact CG1-CB 3.64Å; I707-L719 HydrophobicContact CD1-CD2 3.58Å; I707-L719 HydrophobicContact CD1-CG 3.8Å; I707-L719 HydrophobicContact CG1-CD2 4.24Å; I707-L719 HydrophobicContact CG1-CG 4Å; I707-L719 HydrophobicContact CG2-CD2 4.32Å; I707-L719 HydrophobicContact CG2-CG 4.32Å |
| 708 | Y | 87.5 | Confident | 86.5 | Confident | 187 Ų | 187 | 56.8 Ų | 56.8 | 73% | 0.733 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -71.7 | -28 | 176.8 | -77.3 | -70.4 | 0 | 0 | 0 | 113.9 | T704 L705 | T704-Y708 HydrophobicContact CG2-CD2 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.87Å; T704-Y708 VanDerWaalsContact O-CD2 3.26Å; T704-Y708 WeakPolarHBondContact O-CD2 3.33Å; T704-Y708 PolarHBondContact O-N 3.08Å; L705-Y708 PolarHBondContact O-N 3.05Å |
| 709 | I | 86.8 | Confident | 86.6 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -112.2 | -27 | -165.7 | -59.6 | 170.4 | 0 | 0 | 0 | 113.5 | I679 L684 L705 | I679-I709 HydrophobicContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact O-CG2 3.26Å; I679-I709 WeakPolarHBondContact O-CG2 3.43Å; L684-I709 HydrophobicContact CD1-CD1 4.29Å; L705-I709 WeakPolarHBondContact O-CB 3.48Å; L705-I709 VanDerWaalsContact O-CG1 3.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.17Å; L705-I709 PolarHBondContact O-N 3.33Å; L705-I709 VanDerWaalsContact O-N 3.14Å |
| 710 | G | 76.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.9 | 160.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C706 Q715 | C706-G710 WeakPolarHBondContact O-CA 3.31Å; C706-G710 PolarHBondContact O-N 3.04Å; G710-Q715 WeakPolarHBondContact O-CG 3.3Å; G710-Q715 PolarHBondContact O-NE2 2.71Å |
| 711 | N | 81.5 | Confident | 86.5 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | trans | -62.5 | 150 | 165.5 | -66.7 | 9.3 | 0 | 0 | 0 | 110.2 | K713 Y714 Q715 | N711-K713 VanDerWaalsContact C-N 3.29Å; N711-K713 PolarHBondContact O-N 3Å; N711-Y714 WeakPolarHBondContact O-CA 3.4Å; N711-Y714 PolarHBondContact O-N 3.25Å; N711-Q715 PolarHBondContact O-N 3.39Å; N711-Q715 VanDerWaalsContact O-N 3.09Å | ||
| 712 | K | 81.6 | Confident | 86.6 | Confident | 147 Ų | 147 | 50.6 Ų | 50.6 | 64% | 0.639 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -37.6 | -50.7 | -177.2 | -68 | -174 | 178.5 | -176.4 | 0 | 114.7 | Y714 Q715 T716 | K712-Y714 VanDerWaalsContact C-N 3.34Å; K712-Y714 PolarHBondContact O-N 3.18Å; K712-Q715 WeakPolarHBondContact O-CB 3.32Å; K712-Q715 PolarHBondContact O-N 3.18Å; K712-Q715 VanDerWaalsContact O-N 3.08Å; K712-T716 PolarHBondContact O-N 2.75Å; K712-T716 PolarHBondContact O-OG1 3.01Å |
| 713 | K | 81 | Confident | 86.6 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 65% | 0.648 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -51.6 | -47.7 | 176.4 | -175.3 | 174.9 | -178.3 | 177.3 | 0 | 113 | N711 M717 | N711-K713 VanDerWaalsContact C-N 3.29Å; N711-K713 PolarHBondContact O-N 3Å; K713-M717 HydrophobicContact CG-SD 4Å; K713-M717 WeakPolarHBondContact O-CB 3.39Å; K713-M717 WeakPolarHBondContact O-CG 3.49Å; K713-M717 PolarHBondContact O-N 3.38Å |
| 714 | Y | 83 | Confident | 86.5 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.6 | -34.1 | 177.4 | -79.2 | -90.5 | 0 | 0 | 0 | 112.7 | Y681 F685 N711 K712 A718 | Y681-Y714 HydrophobicContact CD2-CD1 4.22Å; Y681-Y714 HydrophobicContact CD2-CD2 4.09Å; Y681-Y714 AromaticContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CE2-CD1 4.41Å; Y681-Y714 AromaticContact CE2-CD2 3.57Å; Y681-Y714 HydrophobicContact CE2-CD2 3.57Å; Y681-Y714 AromaticContact CE2-CE2 3.88Å; Y681-Y714 HydrophobicContact CE2-CE2 3.88Å; Y681-Y714 AromaticContact CE2-CG 3.85Å; Y681-Y714 HydrophobicContact CE2-CG 3.85Å; F685-Y714 HydrophobicContact CB-CD1 4.05Å; F685-Y714 HydrophobicContact CB-CE1 4.42Å; F685-Y714 HydrophobicContact CD1-CD1 4.08Å; F685-Y714 HydrophobicContact CD1-CE1 4.03Å; F685-Y714 AromaticContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CE1 4.34Å; N711-Y714 WeakPolarHBondContact O-CA 3.4Å; N711-Y714 PolarHBondContact O-N 3.25Å; K712-Y714 VanDerWaalsContact C-N 3.34Å; K712-Y714 PolarHBondContact O-N 3.18Å; Y714-A718 WeakPolarHBondContact O-CB 3.29Å; Y714-A718 PolarHBondContact O-N 2.97Å |
| 715 | Q | 85.1 | Confident | 86.3 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 173.8 | -57.8 | 177.7 | -61.8 | 0 | 0 | 110.7 | I707 G710 N711 K712 A718 L719 | I707-Q715 WeakPolarHBondContact O-CG 3.32Å; I707-Q715 PolarHBondContact O-NE2 3.04Å; G710-Q715 WeakPolarHBondContact O-CG 3.3Å; G710-Q715 PolarHBondContact O-NE2 2.71Å; N711-Q715 PolarHBondContact O-N 3.39Å; N711-Q715 VanDerWaalsContact O-N 3.09Å; K712-Q715 WeakPolarHBondContact O-CB 3.32Å; K712-Q715 PolarHBondContact O-N 3.18Å; K712-Q715 VanDerWaalsContact O-N 3.08Å; Q715-A718 PolarHBondContact O-N 3.5Å; Q715-L719 WeakPolarHBondContact O-CG 3.46Å; Q715-L719 PolarHBondContact O-N 3.36Å |
| 716 | T | 84.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 177.1 | -47.3 | 0 | 0 | 0 | 0 | 111.5 | K712 A718 L719 I720 V742 V747 L750 | K712-T716 PolarHBondContact O-N 2.75Å; K712-T716 PolarHBondContact O-OG1 3.01Å; T716-A718 PolarHBondContact O-N 2.85Å; T716-L719 PolarHBondContact O-N 2.82Å; T716-I720 WeakPolarHBondContact O-CG1 3.46Å; T716-I720 PolarHBondContact O-N 3.38Å; T716-I720 VanDerWaalsContact O-N 3.12Å; T716-V742 HydrophobicContact CG2-CG1 3.78Å; T716-V747 HydrophobicContact CG2-CG2 4.37Å; T716-L750 HydrophobicContact CG2-CD1 3.76Å |
| 717 | M | 84 | Confident | 86.3 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 30% | 0.3 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -40 | 176.8 | -69.7 | 171.3 | 73.2 | 0 | 0 | 112.4 | F685 K713 I720 Q721 | F685-M717 HydrophobicContact CE1-CE 4.08Å; F685-M717 HydrophobicContact CE2-CB 3.87Å; F685-M717 HydrophobicContact CZ-CB 3.92Å; F685-M717 HydrophobicContact CZ-CE 3.94Å; K713-M717 HydrophobicContact CG-SD 4Å; K713-M717 WeakPolarHBondContact O-CB 3.39Å; K713-M717 WeakPolarHBondContact O-CG 3.49Å; K713-M717 PolarHBondContact O-N 3.38Å; M717-I720 PolarHBondContact O-N 3.42Å; M717-Q721 WeakPolarHBondContact O-CG 3.37Å; M717-Q721 PolarHBondContact O-N 2.97Å |
| 718 | A | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F685 L703 C706 I707 Y714 Q715 T716 Q721 R722 | F685-A718 HydrophobicContact CD2-CB 4.07Å; F685-A718 HydrophobicContact CE2-CB 4.37Å; L703-A718 HydrophobicContact CD2-CB 4.14Å; C706-A718 HydrophobicContact CB-CB 4.18Å; I707-A718 HydrophobicContact CD1-CB 4.28Å; I707-A718 HydrophobicContact CG1-CB 3.64Å; Y714-A718 WeakPolarHBondContact O-CB 3.29Å; Y714-A718 PolarHBondContact O-N 2.97Å; Q715-A718 PolarHBondContact O-N 3.5Å; T716-A718 PolarHBondContact O-N 2.85Å; A718-Q721 PolarHBondContact O-N 3.21Å; A718-R722 VanDerWaalsContact O-CB 3.22Å; A718-R722 WeakPolarHBondContact O-CB 3.2Å; A718-R722 PolarHBondContact O-N 3.06Å |
| 719 | L | 89.6 | Confident | 86.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.4 | -77.3 | 165.5 | 0 | 0 | 0 | 112.2 | I707 Q715 T716 Q721 R722 G723 D738 T741 V742 Y745 | I707-L719 HydrophobicContact CD1-CD2 3.58Å; I707-L719 HydrophobicContact CD1-CG 3.8Å; I707-L719 HydrophobicContact CG1-CD2 4.24Å; I707-L719 HydrophobicContact CG1-CG 4Å; I707-L719 HydrophobicContact CG2-CD2 4.32Å; I707-L719 HydrophobicContact CG2-CG 4.32Å; Q715-L719 WeakPolarHBondContact O-CG 3.46Å; Q715-L719 PolarHBondContact O-N 3.36Å; T716-L719 PolarHBondContact O-N 2.82Å; L719-Q721 PolarHBondContact O-N 2.71Å; L719-R722 PolarHBondContact O-N 2.84Å; L719-G723 PolarHBondContact O-N 3.27Å; L719-D738 HydrophobicContact CD2-CB 4.29Å; L719-T741 WeakPolarHBondContact CD2-OG1 3.28Å; L719-V742 HydrophobicContact CB-CG2 3.55Å; L719-V742 HydrophobicContact CD1-CG2 4.32Å; L719-Y745 HydrophobicContact CD1-CD2 4.3Å; L719-Y745 HydrophobicContact CD1-CE2 3.55Å |
| 720 | I | 88 | Confident | 86.1 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 176 | -64 | 170.8 | 0 | 0 | 0 | 110.4 | T716 M717 G723 L724 F739 V742 L750 V754 L757 | T716-I720 WeakPolarHBondContact O-CG1 3.46Å; T716-I720 PolarHBondContact O-N 3.38Å; T716-I720 VanDerWaalsContact O-N 3.12Å; M717-I720 PolarHBondContact O-N 3.42Å; I720-G723 PolarHBondContact O-N 2.69Å; I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 WeakPolarHBondContact O-CG 3.12Å; I720-L724 PolarHBondContact O-N 3.17Å; I720-F739 HydrophobicContact CG2-CE1 4.44Å; I720-F739 WeakPolarHBondContact O-CE1 3.49Å; I720-V742 HydrophobicContact CD1-CG1 4.23Å; I720-V742 HydrophobicContact CG1-CG1 4.18Å; I720-V742 HydrophobicContact CG1-CG2 3.75Å; I720-L750 HydrophobicContact CD1-CD1 4.06Å; I720-L750 HydrophobicContact CD1-CD2 4.42Å; I720-V754 HydrophobicContact CD1-CG2 4.17Å; I720-V754 HydrophobicContact CG1-CG2 4.41Å; I720-L757 HydrophobicContact CG2-CD1 4.29Å |
| 721 | Q | 89 | Confident | 86.7 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.7 | -68.7 | -62 | -27.2 | 0 | 0 | 112.5 | F685 L703 M717 A718 L719 G723 L724 I725 | F685-Q721 HydrophobicContact CE2-CG 4.19Å; F685-Q721 HydrophobicContact CZ-CG 4.34Å; L703-Q721 HydrophobicContact CD1-CB 4.04Å; L703-Q721 HydrophobicContact CD2-CB 4.33Å; M717-Q721 WeakPolarHBondContact O-CG 3.37Å; M717-Q721 PolarHBondContact O-N 2.97Å; A718-Q721 PolarHBondContact O-N 3.21Å; L719-Q721 PolarHBondContact O-N 2.71Å; Q721-G723 VanDerWaalsContact C-N 3.35Å; Q721-G723 PolarHBondContact O-N 3.31Å; Q721-L724 PolarHBondContact O-N 3.43Å; Q721-I725 WeakPolarHBondContact O-CD1 3.44Å; Q721-I725 WeakPolarHBondContact O-CG1 3.17Å; Q721-I725 PolarHBondContact O-N 2.76Å |
| 722 | R | 90.8 | Very high | 87.2 | Confident | 43 Ų | 43 | 53 Ų | 53 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.6 | -162.5 | 175.9 | 74 | -177.3 | -5.1 | 110.7 | L700 L703 T704 A718 L719 I725 L726 D738 | L700-R722 HydrophobicContact CD2-CG 3.57Å; L703-R722 HydrophobicContact CB-CB 4.33Å; L703-R722 HydrophobicContact CD1-CB 4.29Å; T704-R722 WeakPolarHBondContact OG1-CD 3.48Å; T704-R722 PolarHBondContact OG1-NH1 3.13Å; A718-R722 VanDerWaalsContact O-CB 3.22Å; A718-R722 WeakPolarHBondContact O-CB 3.2Å; A718-R722 PolarHBondContact O-N 3.06Å; L719-R722 PolarHBondContact O-N 2.84Å; R722-I725 PolarHBondContact O-N 2.95Å; R722-L726 HydrophobicContact CG-CD1 4.11Å; R722-L726 WeakPolarHBondContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.47Å; R722-L726 PolarHBondContact O-N 2.95Å; R722-D738 VanDerWaalsContact CB-OD2 3.32Å; R722-D738 WeakPolarHBondContact CB-OD2 3.1Å; R722-D738 VanDerWaalsContact CG-OD2 3.27Å; R722-D738 WeakPolarHBondContact CG-OD2 3.34Å; R722-D738 IonicContact CZ-OD1 3.61Å; R722-D738 IonicContact CZ-OD2 3.51Å; R722-D738 IonicContact NE-OD1 2.72Å; R722-D738 PolarHBondContact NE-OD1 3.35Å; R722-D738 IonicContact NE-OD2 2.74Å; R722-D738 PolarHBondContact NE-OD2 3.4Å; R722-D738 IonicContact NH2-OD1 3.67Å; R722-D738 PolarHBondContact NH2-OD1 2.8Å; R722-D738 IonicContact NH2-OD2 3.43Å |
| 723 | G | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L719 I720 Q721 L726 Y727 A735 D738 | L719-G723 PolarHBondContact O-N 3.27Å; I720-G723 PolarHBondContact O-N 2.69Å; Q721-G723 VanDerWaalsContact C-N 3.35Å; Q721-G723 PolarHBondContact O-N 3.31Å; G723-L726 PolarHBondContact O-N 3.39Å; G723-Y727 WeakPolarHBondContact O-CB 3.41Å; G723-Y727 PolarHBondContact O-N 3.42Å; G723-A735 WeakPolarHBondContact O-CB 3.49Å; G723-D738 PolarHBondContact N-OD2 3.2Å |
| 724 | L | 88.7 | Confident | 88 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 176.7 | -73.7 | 169.7 | 0 | 0 | 0 | 112.6 | I720 Q721 Y727 Q728 F739 L757 | I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 WeakPolarHBondContact O-CG 3.12Å; I720-L724 PolarHBondContact O-N 3.17Å; Q721-L724 PolarHBondContact O-N 3.43Å; L724-Y727 WeakPolarHBondContact O-CB 3.18Å; L724-Y727 PolarHBondContact O-N 3.35Å; L724-Q728 WeakPolarHBondContact O-CG 3.33Å; L724-Q728 PolarHBondContact O-N 3.21Å; L724-F739 HydrophobicContact CD2-CZ 4.21Å; L724-F739 HydrophobicContact CG-CE1 4.35Å; L724-F739 HydrophobicContact CG-CZ 4.18Å; L724-L757 HydrophobicContact CD2-CD1 4.23Å; L724-L757 HydrophobicContact CD2-CD2 3.75Å |
| 725 | I | 88.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.1 | -62.5 | 154 | 0 | 0 | 0 | 110.4 | T692 P696 S699 L700 L703 Q721 R722 Y727 Q728 L729 | T692-I725 HydrophobicContact CG2-CD1 3.87Å; T692-I725 HydrophobicContact CG2-CG1 3.89Å; P696-I725 HydrophobicContact CB-CG2 3.92Å; S699-I725 WeakPolarHBondContact OG-CD1 3.38Å; L700-I725 HydrophobicContact CD2-CB 4.04Å; L700-I725 HydrophobicContact CD2-CD1 4.38Å; L700-I725 HydrophobicContact CD2-CG2 3.81Å; L700-I725 HydrophobicContact CG-CG2 4.03Å; L703-I725 HydrophobicContact CD1-CD1 3.36Å; Q721-I725 WeakPolarHBondContact O-CD1 3.44Å; Q721-I725 WeakPolarHBondContact O-CG1 3.17Å; Q721-I725 PolarHBondContact O-N 2.76Å; R722-I725 PolarHBondContact O-N 2.95Å; I725-Y727 VanDerWaalsContact C-N 3.26Å; I725-Y727 PolarHBondContact O-N 3.46Å; I725-Q728 PolarHBondContact O-N 3.19Å; I725-L729 HydrophobicContact CG2-CD1 3.87Å; I725-L729 HydrophobicContact CG2-CG 4.19Å; I725-L729 WeakPolarHBondContact O-CB 3.45Å; I725-L729 VanDerWaalsContact O-CG 3.29Å; I725-L729 WeakPolarHBondContact O-CG 3.29Å; I725-L729 PolarHBondContact O-N 3.47Å |
| 726 | L | 90.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -32.7 | 178.4 | -69.9 | 165.1 | 0 | 0 | 0 | 111.9 | L700 R722 G723 K730 K731 M734 A735 D738 | L700-L726 HydrophobicContact CD1-CD2 3.99Å; L700-L726 HydrophobicContact CD2-CD1 4.46Å; L700-L726 HydrophobicContact CD2-CD2 4.02Å; L700-L726 HydrophobicContact CD2-CG 3.87Å; R722-L726 HydrophobicContact CG-CD1 4.11Å; R722-L726 WeakPolarHBondContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.47Å; R722-L726 PolarHBondContact O-N 2.95Å; G723-L726 PolarHBondContact O-N 3.39Å; L726-K730 PolarHBondContact O-N 3.14Å; L726-K731 HydrophobicContact CB-CB 4.35Å; L726-K731 HydrophobicContact CD2-CB 4Å; L726-K731 HydrophobicContact CD2-CD 3.92Å; L726-K731 CarbonylContact O-C 3.6Å; L726-K731 WeakPolarHBondContact O-CA 3.22Å; L726-K731 WeakPolarHBondContact O-CB 3.16Å; L726-K731 PolarHBondContact O-N 3.04Å; L726-M734 HydrophobicContact CD1-CB 3.74Å; L726-M734 HydrophobicContact CD2-CB 4.05Å; L726-M734 HydrophobicContact CD2-CE 4.25Å; L726-M734 HydrophobicContact CD2-SD 4.16Å; L726-M734 HydrophobicContact CG-CB 4.31Å; L726-A735 HydrophobicContact CB-CB 3.72Å; L726-D738 VanDerWaalsContact CD1-OD2 3.3Å; L726-D738 WeakPolarHBondContact CD1-OD2 3.4Å |
| 727 | Y | 89.8 | Confident | 88.9 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -47.8 | 171.4 | 177.8 | -93.6 | 0 | 0 | 0 | 111.6 | G723 L724 I725 L729 K730 Y732 T761 Q764 | G723-Y727 WeakPolarHBondContact O-CB 3.41Å; G723-Y727 PolarHBondContact O-N 3.42Å; L724-Y727 WeakPolarHBondContact O-CB 3.18Å; L724-Y727 PolarHBondContact O-N 3.35Å; I725-Y727 VanDerWaalsContact C-N 3.26Å; I725-Y727 PolarHBondContact O-N 3.46Å; Y727-L729 VanDerWaalsContact C-N 3.32Å; Y727-L729 PolarHBondContact O-N 3.4Å; Y727-K730 WeakPolarHBondContact O-CA 3.3Å; Y727-K730 PolarHBondContact O-N 2.74Å; Y727-Y732 AromaticContact CD2-CD1 3.68Å; Y727-Y732 HydrophobicContact CD2-CD1 3.68Å; Y727-Y732 AromaticContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CE2-CD1 4.25Å; Y727-Y732 HydrophobicContact CE2-CE1 4.12Å; Y727-Y732 HydrophobicContact CG-CD1 4.29Å; Y727-Y732 HydrophobicContact CG-CE1 4.27Å; Y727-Y732 VanDerWaalsContact O-CE1 3.23Å; Y727-Y732 WeakPolarHBondContact O-CE1 3.49Å; Y727-T761 HydrophobicContact CD2-CG2 3.7Å; Y727-T761 HydrophobicContact CE2-CG2 4.22Å; Y727-Q764 HydrophobicContact CE2-CB 4.17Å; Y727-Q764 HydrophobicContact CE2-CG 3.55Å; Y727-Q764 VanDerWaalsContact OH-CG 3.29Å; Y727-Q764 WeakPolarHBondContact OH-CG 3.5Å |
| 728 | Q | 85.1 | Confident | 89.2 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 175.5 | -72.4 | 176.2 | -10.3 | 0 | 0 | 112.6 | L724 I725 K730 | L724-Q728 WeakPolarHBondContact O-CG 3.33Å; L724-Q728 PolarHBondContact O-N 3.21Å; I725-Q728 PolarHBondContact O-N 3.19Å; Q728-K730 PolarHBondContact O-N 3.27Å |
| 729 | L | 86.6 | Confident | 89.3 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 4.2 | 172.7 | -68.4 | 177.1 | 0 | 0 | 0 | 114 | P696 L700 I725 Y727 K731 | P696-L729 HydrophobicContact CB-CD1 4.26Å; P696-L729 HydrophobicContact CB-CD2 4.16Å; P696-L729 HydrophobicContact CB-CG 4.47Å; P696-L729 HydrophobicContact CG-CD2 4.07Å; L700-L729 HydrophobicContact CD1-CD1 3.84Å; I725-L729 HydrophobicContact CG2-CD1 3.87Å; I725-L729 HydrophobicContact CG2-CG 4.19Å; I725-L729 WeakPolarHBondContact O-CB 3.45Å; I725-L729 VanDerWaalsContact O-CG 3.29Å; I725-L729 WeakPolarHBondContact O-CG 3.29Å; I725-L729 PolarHBondContact O-N 3.47Å; Y727-L729 VanDerWaalsContact C-N 3.32Å; Y727-L729 PolarHBondContact O-N 3.4Å; L729-K731 HydrophobicContact CB-CG 4.18Å; L729-K731 PolarHBondContact O-N 3.39Å; L729-K731 VanDerWaalsContact O-N 3.07Å |
| 730 | K | 87 | Confident | 89.2 | Confident | 161 Ų | 161 | 54.1 Ų | 54.1 | 70% | 0.7 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 15.2 | -175.6 | -49.9 | -175.9 | -178.5 | 178.5 | 0 | 114.5 | L726 Y727 Q728 Y732 | L726-K730 PolarHBondContact O-N 3.14Å; Y727-K730 WeakPolarHBondContact O-CA 3.3Å; Y727-K730 PolarHBondContact O-N 2.74Å; Q728-K730 PolarHBondContact O-N 3.27Å; K730-Y732 HydrophobicContact CB-CE1 4.33Å; K730-Y732 HydrophobicContact CB-CE2 4.14Å; K730-Y732 PolarHBondContact O-N 3.17Å |
| 731 | K | 89.2 | Confident | 89.1 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | trans | -81.6 | 47.5 | 173.1 | -63.2 | -170.7 | 177.8 | -173.3 | 0 | 110.9 | L726 L729 K733 M734 A735 | L726-K731 HydrophobicContact CB-CB 4.35Å; L726-K731 HydrophobicContact CD2-CB 4Å; L726-K731 HydrophobicContact CD2-CD 3.92Å; L726-K731 CarbonylContact O-C 3.6Å; L726-K731 WeakPolarHBondContact O-CA 3.22Å; L726-K731 WeakPolarHBondContact O-CB 3.16Å; L726-K731 PolarHBondContact O-N 3.04Å; L729-K731 HydrophobicContact CB-CG 4.18Å; L729-K731 PolarHBondContact O-N 3.39Å; L729-K731 VanDerWaalsContact O-N 3.07Å; K731-K733 PolarHBondContact O-N 3.03Å; K731-M734 HydrophobicContact CB-SD 4.4Å; K731-M734 HydrophobicContact CD-SD 4.03Å; K731-M734 PolarHBondContact O-N 2.66Å; K731-A735 PolarHBondContact O-N 2.87Å | ||
| 732 | Y | 90.8 | Very high | 88.9 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 14% | 0.137 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.9 | -35.2 | -168.3 | -52.1 | -53.9 | 0 | 0 | 0 | 114 | Y727 K730 M734 A735 L736 Q764 L765 | Y727-Y732 AromaticContact CD2-CD1 3.68Å; Y727-Y732 HydrophobicContact CD2-CD1 3.68Å; Y727-Y732 AromaticContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CE2-CD1 4.25Å; Y727-Y732 HydrophobicContact CE2-CE1 4.12Å; Y727-Y732 HydrophobicContact CG-CD1 4.29Å; Y727-Y732 HydrophobicContact CG-CE1 4.27Å; Y727-Y732 VanDerWaalsContact O-CE1 3.23Å; Y727-Y732 WeakPolarHBondContact O-CE1 3.49Å; K730-Y732 HydrophobicContact CB-CE1 4.33Å; K730-Y732 HydrophobicContact CB-CE2 4.14Å; K730-Y732 PolarHBondContact O-N 3.17Å; Y732-M734 VanDerWaalsContact C-N 3.32Å; Y732-M734 PolarHBondContact O-N 2.96Å; Y732-A735 PolarHBondContact O-N 3.17Å; Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 PolarHBondContact O-N 2.78Å; Y732-Q764 HydrophobicContact CD1-CB 4.13Å; Y732-Q764 HydrophobicContact CD2-CB 4.17Å; Y732-Q764 HydrophobicContact CE1-CB 3.72Å; Y732-Q764 HydrophobicContact CE1-CG 4.19Å; Y732-Q764 HydrophobicContact CE2-CB 3.75Å; Y732-Q764 WeakPolarHBondContact CE2-O 3.37Å; Y732-Q764 HydrophobicContact CG-CB 4.34Å; Y732-L765 HydrophobicContact CD2-CD2 4.12Å; Y732-L765 HydrophobicContact CD2-CG 4.14Å; Y732-L765 HydrophobicContact CG-CD2 4.49Å; Y732-L765 HydrophobicContact CG-CG 4.26Å |
| 733 | K | 89.6 | Confident | 88.3 | Confident | 164 Ų | 164 | 53.1 Ų | 53.1 | 71% | 0.713 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.2 | -39.8 | 174.8 | -68.7 | -175 | 178 | -178 | 0 | 113.2 | K731 N737 L765 | K731-K733 PolarHBondContact O-N 3.03Å; K733-N737 PolarHBondContact O-N 2.92Å; K733-N737 PolarHBondContact O-OD1 3.21Å; K733-L765 HydrophobicContact CG-CD2 4.43Å |
| 734 | M | 89.9 | Confident | 88 | Confident | 103 Ų | 103 | 58 Ų | 58 | 51% | 0.507 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77.5 | -38.1 | 178.6 | -59.4 | 177.8 | 69.3 | 0 | 0 | 111 | L726 K731 Y732 L736 N737 D738 | L726-M734 HydrophobicContact CD1-CB 3.74Å; L726-M734 HydrophobicContact CD2-CB 4.05Å; L726-M734 HydrophobicContact CD2-CE 4.25Å; L726-M734 HydrophobicContact CD2-SD 4.16Å; L726-M734 HydrophobicContact CG-CB 4.31Å; K731-M734 HydrophobicContact CB-SD 4.4Å; K731-M734 HydrophobicContact CD-SD 4.03Å; K731-M734 PolarHBondContact O-N 2.66Å; Y732-M734 VanDerWaalsContact C-N 3.32Å; Y732-M734 PolarHBondContact O-N 2.96Å; M734-L736 VanDerWaalsContact C-N 3.31Å; M734-L736 PolarHBondContact O-N 3.39Å; M734-N737 PolarHBondContact O-N 3.43Å; M734-D738 PolarHBondContact O-N 3.04Å; M734-D738 VanDerWaalsContact O-N 3.1Å |
| 735 | A | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G723 L726 K731 Y732 D738 F739 T761 | G723-A735 WeakPolarHBondContact O-CB 3.49Å; L726-A735 HydrophobicContact CB-CB 3.72Å; K731-A735 PolarHBondContact O-N 2.87Å; Y732-A735 PolarHBondContact O-N 3.17Å; A735-D738 PolarHBondContact O-N 3.2Å; A735-F739 HydrophobicContact CB-CD2 4.46Å; A735-F739 HydrophobicContact CB-CE2 4.08Å; A735-F739 WeakPolarHBondContact O-CD2 3.42Å; A735-F739 VanDerWaalsContact O-CG 3.3Å; A735-F739 WeakPolarHBondContact O-CG 3.41Å; A735-F739 PolarHBondContact O-N 2.92Å; A735-T761 HydrophobicContact CB-CG2 4.42Å |
| 736 | L | 90.4 | Very high | 86 | Confident | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 177 | 179.7 | 164.5 | 0 | 0 | 0 | 111.7 | Y732 M734 F739 Q740 Y762 L765 | Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 PolarHBondContact O-N 2.78Å; M734-L736 VanDerWaalsContact C-N 3.31Å; M734-L736 PolarHBondContact O-N 3.39Å; L736-F739 PolarHBondContact O-N 3.02Å; L736-Q740 HydrophobicContact CD2-CG 4.32Å; L736-Q740 WeakPolarHBondContact O-CB 3.42Å; L736-Q740 WeakPolarHBondContact O-CG 3.47Å; L736-Q740 PolarHBondContact O-N 3.04Å; L736-Y762 HydrophobicContact CD1-CD1 4Å; L736-Y762 HydrophobicContact CD1-CE1 3.43Å; L736-Y762 VanDerWaalsContact CD1-CE1 3.43Å; L736-Y762 HydrophobicContact CD1-CE2 4.05Å; L736-Y762 VanDerWaalsContact CD1-CZ 3.47Å; L736-L765 HydrophobicContact CD1-CD1 3.93Å |
| 737 | N | 90.4 | Very high | 84.7 | Confident | 97 Ų | 97 | 67.5 Ų | 67.5 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 174.2 | -74.5 | 19.1 | 0 | 0 | 0 | 111.5 | K733 M734 F739 Q740 T741 | K733-N737 PolarHBondContact O-N 2.92Å; K733-N737 PolarHBondContact O-OD1 3.21Å; M734-N737 PolarHBondContact O-N 3.43Å; N737-F739 PolarHBondContact O-N 3.21Å; N737-Q740 PolarHBondContact O-N 2.91Å; N737-T741 WeakPolarHBondContact O-CG2 3.29Å; N737-T741 PolarHBondContact O-N 3.23Å; N737-T741 PolarHBondContact O-OG1 3.38Å |
| 738 | D | 90 | Very high | 83.3 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.9 | -50 | 178.7 | -76.8 | -0.7 | 0 | 0 | 0 | 111.3 | L719 R722 G723 L726 M734 A735 Q740 T741 V742 | L719-D738 HydrophobicContact CD2-CB 4.29Å; R722-D738 VanDerWaalsContact CB-OD2 3.32Å; R722-D738 WeakPolarHBondContact CB-OD2 3.1Å; R722-D738 VanDerWaalsContact CG-OD2 3.27Å; R722-D738 WeakPolarHBondContact CG-OD2 3.34Å; R722-D738 IonicContact CZ-OD1 3.61Å; R722-D738 IonicContact CZ-OD2 3.51Å; R722-D738 IonicContact NE-OD1 2.72Å; R722-D738 PolarHBondContact NE-OD1 3.35Å; R722-D738 IonicContact NE-OD2 2.74Å; R722-D738 PolarHBondContact NE-OD2 3.4Å; R722-D738 IonicContact NH2-OD1 3.67Å; R722-D738 PolarHBondContact NH2-OD1 2.8Å; R722-D738 IonicContact NH2-OD2 3.43Å; G723-D738 PolarHBondContact N-OD2 3.2Å; L726-D738 VanDerWaalsContact CD1-OD2 3.3Å; L726-D738 WeakPolarHBondContact CD1-OD2 3.4Å; M734-D738 PolarHBondContact O-N 3.04Å; M734-D738 VanDerWaalsContact O-N 3.1Å; A735-D738 PolarHBondContact O-N 3.2Å; D738-Q740 VanDerWaalsContact C-N 3.32Å; D738-Q740 PolarHBondContact O-N 3.09Å; D738-T741 PolarHBondContact O-N 3.33Å; D738-T741 VanDerWaalsContact O-N 3.16Å; D738-T741 PolarHBondContact O-OG1 2.75Å; D738-V742 PolarHBondContact O-N 3.39Å; D738-V742 VanDerWaalsContact O-N 3.13Å |
| 739 | F | 89.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 177.3 | -61.3 | -45.4 | 0 | 0 | 0 | 112.8 | I720 L724 A735 L736 N737 V742 V754 L757 I758 T761 | I720-F739 HydrophobicContact CG2-CE1 4.44Å; I720-F739 WeakPolarHBondContact O-CE1 3.49Å; L724-F739 HydrophobicContact CD2-CZ 4.21Å; L724-F739 HydrophobicContact CG-CE1 4.35Å; L724-F739 HydrophobicContact CG-CZ 4.18Å; A735-F739 HydrophobicContact CB-CD2 4.46Å; A735-F739 HydrophobicContact CB-CE2 4.08Å; A735-F739 WeakPolarHBondContact O-CD2 3.42Å; A735-F739 VanDerWaalsContact O-CG 3.3Å; A735-F739 WeakPolarHBondContact O-CG 3.41Å; A735-F739 PolarHBondContact O-N 2.92Å; L736-F739 PolarHBondContact O-N 3.02Å; N737-F739 PolarHBondContact O-N 3.21Å; F739-V742 WeakPolarHBondContact O-CB 3.37Å; F739-V742 PolarHBondContact O-N 3.14Å; F739-V754 HydrophobicContact CB-CG1 4.37Å; F739-V754 VanDerWaalsContact O-CG1 3.28Å; F739-V754 WeakPolarHBondContact O-CG1 3.48Å; F739-L757 HydrophobicContact CD1-CB 4.47Å; F739-L757 HydrophobicContact CD1-CD1 4.35Å; F739-L757 HydrophobicContact CD2-CB 4.27Å; F739-L757 HydrophobicContact CE1-CB 4.29Å; F739-L757 HydrophobicContact CE1-CD1 3.79Å; F739-L757 HydrophobicContact CE2-CB 4.09Å; F739-L757 HydrophobicContact CG-CB 4.46Å; F739-L757 HydrophobicContact CZ-CB 4.1Å; F739-L757 HydrophobicContact CZ-CD1 4.08Å; F739-L757 HydrophobicContact CZ-CG 4.49Å; F739-I758 HydrophobicContact CB-CD1 4.01Å; F739-I758 HydrophobicContact CB-CG1 3.39Å; F739-I758 HydrophobicContact CD2-CG1 4.46Å; F739-I758 HydrophobicContact CG-CG1 4.3Å; F739-T761 HydrophobicContact CD2-CG2 3.79Å; F739-T761 HydrophobicContact CE2-CG2 3.58Å |
| 740 | Q | 87.7 | Confident | 81.5 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 172.8 | -77.8 | -179.7 | -16.9 | 0 | 0 | 112.1 | L736 N737 D738 V742 L743 I758 | L736-Q740 HydrophobicContact CD2-CG 4.32Å; L736-Q740 WeakPolarHBondContact O-CB 3.42Å; L736-Q740 WeakPolarHBondContact O-CG 3.47Å; L736-Q740 PolarHBondContact O-N 3.04Å; N737-Q740 PolarHBondContact O-N 2.91Å; D738-Q740 VanDerWaalsContact C-N 3.32Å; D738-Q740 PolarHBondContact O-N 3.09Å; Q740-V742 PolarHBondContact O-N 3.27Å; Q740-L743 WeakPolarHBondContact O-CB 3.26Å; Q740-L743 PolarHBondContact O-N 3.42Å; Q740-L743 VanDerWaalsContact O-N 3.12Å; Q740-I758 HydrophobicContact CG-CD1 4.23Å |
| 741 | T | 86.1 | Confident | 80.8 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -22.4 | 174 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | L719 N737 D738 L743 T744 Y745 | L719-T741 WeakPolarHBondContact CD2-OG1 3.28Å; N737-T741 WeakPolarHBondContact O-CG2 3.29Å; N737-T741 PolarHBondContact O-N 3.23Å; N737-T741 PolarHBondContact O-OG1 3.38Å; D738-T741 PolarHBondContact O-N 3.33Å; D738-T741 VanDerWaalsContact O-N 3.16Å; D738-T741 PolarHBondContact O-OG1 2.75Å; T741-L743 VanDerWaalsContact C-N 3.28Å; T741-L743 PolarHBondContact O-N 3.22Å; T741-T744 PolarHBondContact O-OG1 2.9Å; T741-Y745 WeakPolarHBondContact O-CD2 3.25Å; T741-Y745 VanDerWaalsContact O-CE2 3.22Å; T741-Y745 WeakPolarHBondContact O-CE2 3.4Å |
| 742 | V | 85.2 | Confident | 80 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 171.5 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | T716 L719 I720 D738 F739 Q740 T744 Y745 V754 | T716-V742 HydrophobicContact CG2-CG1 3.78Å; L719-V742 HydrophobicContact CB-CG2 3.55Å; L719-V742 HydrophobicContact CD1-CG2 4.32Å; I720-V742 HydrophobicContact CD1-CG1 4.23Å; I720-V742 HydrophobicContact CG1-CG1 4.18Å; I720-V742 HydrophobicContact CG1-CG2 3.75Å; D738-V742 PolarHBondContact O-N 3.39Å; D738-V742 VanDerWaalsContact O-N 3.13Å; F739-V742 WeakPolarHBondContact O-CB 3.37Å; F739-V742 PolarHBondContact O-N 3.14Å; Q740-V742 PolarHBondContact O-N 3.27Å; V742-T744 PolarHBondContact O-N 3.32Å; V742-Y745 PolarHBondContact O-N 2.89Å; V742-V754 HydrophobicContact CB-CG1 4.14Å; V742-V754 HydrophobicContact CB-CG2 4.28Å; V742-V754 HydrophobicContact CG1-CB 4.37Å; V742-V754 HydrophobicContact CG1-CG1 4.09Å; V742-V754 HydrophobicContact CG1-CG2 3.47Å; V742-V754 VanDerWaalsContact CG1-CG2 3.47Å |
| 743 | L | 78.5 | Confident | 79.4 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.4 | -176.3 | -62.4 | 176.1 | 0 | 0 | 0 | 113.9 | Q740 T741 Y751 V754 Y755 I758 | Q740-L743 WeakPolarHBondContact O-CB 3.26Å; Q740-L743 PolarHBondContact O-N 3.42Å; Q740-L743 VanDerWaalsContact O-N 3.12Å; T741-L743 VanDerWaalsContact C-N 3.28Å; T741-L743 PolarHBondContact O-N 3.22Å; L743-Y751 HydrophobicContact CB-CE1 4.18Å; L743-Y751 HydrophobicContact CD2-CD1 3.51Å; L743-Y751 HydrophobicContact CD2-CE1 3.72Å; L743-Y751 WeakPolarHBondContact O-CE1 3.37Å; L743-Y751 PolarHBondContact O-OH 3.11Å; L743-V754 HydrophobicContact CD2-CB 4.16Å; L743-V754 HydrophobicContact CD2-CG1 3.56Å; L743-V754 HydrophobicContact CG-CG1 3.92Å; L743-Y755 HydrophobicContact CD1-CE1 4.24Å; L743-Y755 HydrophobicContact CD2-CD2 4.05Å; L743-Y755 HydrophobicContact CD2-CE2 3.65Å; L743-I758 HydrophobicContact CD1-CD1 3.72Å; L743-I758 HydrophobicContact CG-CD1 4.22Å |
| 744 | T | 81.6 | Confident | 79.2 | Confident | 104 Ų | 104 | 57 Ų | 57 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.7 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | T741 V742 | T741-T744 PolarHBondContact O-OG1 2.9Å; V742-T744 PolarHBondContact O-N 3.32Å |
| 745 | Y | 73.7 | Confident | 79.1 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -87.1 | -2.6 | -175 | -75.7 | -74.9 | 0 | 0 | 0 | 115.4 | L719 T741 V742 | L719-Y745 HydrophobicContact CD1-CD2 4.3Å; L719-Y745 HydrophobicContact CD1-CE2 3.55Å; T741-Y745 WeakPolarHBondContact O-CD2 3.25Å; T741-Y745 VanDerWaalsContact O-CE2 3.22Å; T741-Y745 WeakPolarHBondContact O-CE2 3.4Å; V742-Y745 PolarHBondContact O-N 2.89Å |
| 746 | N | 62.7 | Low | 78.8 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | trans | 50.5 | 65.7 | -179 | -66 | 6.1 | 0 | 0 | 0 | 112.9 | Y751 | N746-Y751 VanDerWaalsContact CA-OH 3.31Å; N746-Y751 WeakPolarHBondContact CA-OH 3.45Å; N746-Y751 PolarHBondContact N-OH 3.47Å; N746-Y751 PolarHBondContact OD1-OH 2.99Å | ||
| 747 | V | 62.4 | Low | 78.8 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | trans | -122.5 | 87.9 | 179.2 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | T716 H749 L750 | T716-V747 HydrophobicContact CG2-CG2 4.37Å; V747-H749 VanDerWaalsContact C-N 3.31Å; V747-H749 WeakPolarHBondContact CG1-CE1 3.44Å; V747-H749 PolarHBondContact O-N 2.98Å; V747-H749 VanDerWaalsContact O-N 3.12Å; V747-L750 HydrophobicContact CG1-CD1 3.9Å; V747-L750 HydrophobicContact CG1-CG 4.25Å; V747-L750 PolarHBondContact O-N 3.34Å | ||
| 748 | D | 61.8 | Low | 78.8 | Confident | 131 Ų | 131 | 51.7 Ų | 51.7 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -55.1 | -39.7 | -159.8 | -58.7 | -31.4 | 0 | 0 | 0 | 114.9 | L750 | D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.45Å |
| 749 | H | 67.2 | Low | 78.6 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 67% | 0.667 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71.1 | -12.7 | -176.9 | 63.4 | -87.7 | 0 | 0 | 0 | 115 | V747 | V747-H749 VanDerWaalsContact C-N 3.31Å; V747-H749 WeakPolarHBondContact CG1-CE1 3.44Å; V747-H749 PolarHBondContact O-N 2.98Å; V747-H749 VanDerWaalsContact O-N 3.12Å |
| 750 | L | 66.5 | Low | 78.6 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -101.4 | -11.4 | -177.5 | -68 | 174.4 | 0 | 0 | 0 | 114.3 | T716 I720 V747 D748 T752 V754 | T716-L750 HydrophobicContact CG2-CD1 3.76Å; I720-L750 HydrophobicContact CD1-CD1 4.06Å; I720-L750 HydrophobicContact CD1-CD2 4.42Å; V747-L750 HydrophobicContact CG1-CD1 3.9Å; V747-L750 HydrophobicContact CG1-CG 4.25Å; V747-L750 PolarHBondContact O-N 3.34Å; D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.45Å; L750-T752 VanDerWaalsContact C-N 3.33Å; L750-T752 PolarHBondContact O-N 2.99Å; L750-V754 WeakPolarHBondContact O-CG2 3.47Å; L750-V754 PolarHBondContact O-N 3.26Å |
| 751 | Y | 71 | Confident | 78.7 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -41.7 | -173.2 | -83.9 | -67.8 | 0 | 0 | 0 | 113.8 | L743 N746 D753 V754 Y755 | L743-Y751 HydrophobicContact CB-CE1 4.18Å; L743-Y751 HydrophobicContact CD2-CD1 3.51Å; L743-Y751 HydrophobicContact CD2-CE1 3.72Å; L743-Y751 WeakPolarHBondContact O-CE1 3.37Å; L743-Y751 PolarHBondContact O-OH 3.11Å; N746-Y751 VanDerWaalsContact CA-OH 3.31Å; N746-Y751 WeakPolarHBondContact CA-OH 3.45Å; N746-Y751 PolarHBondContact N-OH 3.47Å; N746-Y751 PolarHBondContact OD1-OH 2.99Å; Y751-D753 PolarHBondContact O-N 3.34Å; Y751-V754 PolarHBondContact O-N 3.03Å; Y751-Y755 HydrophobicContact CD1-CE2 4.02Å; Y751-Y755 VanDerWaalsContact O-CD2 3.27Å; Y751-Y755 WeakPolarHBondContact O-CD2 3.32Å; Y751-Y755 PolarHBondContact O-N 3.41Å |
| 752 | T | 73.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | -171 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | L750 R756 Q782 | L750-T752 VanDerWaalsContact C-N 3.33Å; L750-T752 PolarHBondContact O-N 2.99Å; T752-R756 PolarHBondContact O-N 3.29Å; T752-R756 VanDerWaalsContact O-N 3.17Å; T752-Q782 HydrophobicContact CG2-CG 4.31Å |
| 753 | D | 77.9 | Confident | 79 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.9 | -34.8 | 175.5 | -91.1 | -46.2 | 0 | 0 | 0 | 113.1 | Y751 R756 L757 | Y751-D753 PolarHBondContact O-N 3.34Å; D753-R756 WeakPolarHBondContact O-CB 3.42Å; D753-R756 PolarHBondContact O-N 2.89Å; D753-R756 IonicContact OD1-CZ 3.14Å; D753-R756 IonicContact OD1-NE 2.8Å; D753-R756 PolarHBondContact OD1-NE 3.4Å; D753-R756 IonicContact OD1-NH2 3.15Å; D753-R756 PolarHBondContact OD1-NH2 3Å; D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 VanDerWaalsContact O-CG 3.28Å; D753-L757 WeakPolarHBondContact O-CG 3.47Å; D753-L757 PolarHBondContact O-N 2.88Å |
| 754 | V | 85.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 179 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | I720 F739 V742 L743 L750 Y751 R756 L757 I758 | I720-V754 HydrophobicContact CD1-CG2 4.17Å; I720-V754 HydrophobicContact CG1-CG2 4.41Å; F739-V754 HydrophobicContact CB-CG1 4.37Å; F739-V754 VanDerWaalsContact O-CG1 3.28Å; F739-V754 WeakPolarHBondContact O-CG1 3.48Å; V742-V754 HydrophobicContact CB-CG1 4.14Å; V742-V754 HydrophobicContact CB-CG2 4.28Å; V742-V754 HydrophobicContact CG1-CB 4.37Å; V742-V754 HydrophobicContact CG1-CG1 4.09Å; V742-V754 HydrophobicContact CG1-CG2 3.47Å; V742-V754 VanDerWaalsContact CG1-CG2 3.47Å; L743-V754 HydrophobicContact CD2-CB 4.16Å; L743-V754 HydrophobicContact CD2-CG1 3.56Å; L743-V754 HydrophobicContact CG-CG1 3.92Å; L750-V754 WeakPolarHBondContact O-CG2 3.47Å; L750-V754 PolarHBondContact O-N 3.26Å; Y751-V754 PolarHBondContact O-N 3.03Å; V754-R756 VanDerWaalsContact C-N 3.32Å; V754-R756 PolarHBondContact O-N 3.46Å; V754-L757 PolarHBondContact O-N 3.15Å; V754-I758 HydrophobicContact CG1-CD1 3.89Å; V754-I758 HydrophobicContact CG1-CG1 4.46Å; V754-I758 VanDerWaalsContact O-CG1 3.27Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.14Å |
| 755 | Y | 87.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 171.8 | -84.1 | -72.9 | 0 | 0 | 0 | 112.3 | L743 Y751 G759 V774 E777 K781 | L743-Y755 HydrophobicContact CD1-CE1 4.24Å; L743-Y755 HydrophobicContact CD2-CD2 4.05Å; L743-Y755 HydrophobicContact CD2-CE2 3.65Å; Y751-Y755 HydrophobicContact CD1-CE2 4.02Å; Y751-Y755 VanDerWaalsContact O-CD2 3.27Å; Y751-Y755 WeakPolarHBondContact O-CD2 3.32Å; Y751-Y755 PolarHBondContact O-N 3.41Å; Y755-G759 PolarHBondContact O-N 3.2Å; Y755-G759 VanDerWaalsContact O-N 3.11Å; Y755-V774 HydrophobicContact CD1-CG1 3.73Å; Y755-V774 VanDerWaalsContact CD1-O 3.29Å; Y755-V774 WeakPolarHBondContact CD1-O 3.19Å; Y755-V774 HydrophobicContact CE1-CG1 4.44Å; Y755-V774 WeakPolarHBondContact O-CG1 3.5Å; Y755-E777 HydrophobicContact CD1-CB 4.29Å; Y755-E777 HydrophobicContact CE1-CB 3.57Å; Y755-K781 HydrophobicContact CE2-CD 3.79Å; Y755-K781 WeakPolarHBondContact OH-CE 3.27Å; Y755-K781 PolarHBondContact OH-NZ 3.23Å |
| 756 | R | 86.5 | Confident | 80.2 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.5 | -172.5 | 179.5 | 63.9 | 83.2 | -1.6 | 112 | T752 D753 V754 G759 L760 | T752-R756 PolarHBondContact O-N 3.29Å; T752-R756 VanDerWaalsContact O-N 3.17Å; D753-R756 WeakPolarHBondContact O-CB 3.42Å; D753-R756 PolarHBondContact O-N 2.89Å; D753-R756 IonicContact OD1-CZ 3.14Å; D753-R756 IonicContact OD1-NE 2.8Å; D753-R756 PolarHBondContact OD1-NE 3.4Å; D753-R756 IonicContact OD1-NH2 3.15Å; D753-R756 PolarHBondContact OD1-NH2 3Å; V754-R756 VanDerWaalsContact C-N 3.32Å; V754-R756 PolarHBondContact O-N 3.46Å; R756-G759 PolarHBondContact O-N 3.48Å; R756-L760 HydrophobicContact CG-CD1 4.25Å; R756-L760 WeakPolarHBondContact O-CG 3.5Å; R756-L760 PolarHBondContact O-N 3.48Å |
| 757 | L | 89.5 | Confident | 81.4 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 179.3 | -72.6 | 172.7 | 0 | 0 | 0 | 112.4 | I720 L724 F739 D753 V754 G759 L760 T761 | I720-L757 HydrophobicContact CG2-CD1 4.29Å; L724-L757 HydrophobicContact CD2-CD1 4.23Å; L724-L757 HydrophobicContact CD2-CD2 3.75Å; F739-L757 HydrophobicContact CD1-CB 4.47Å; F739-L757 HydrophobicContact CD1-CD1 4.35Å; F739-L757 HydrophobicContact CD2-CB 4.27Å; F739-L757 HydrophobicContact CE1-CB 4.29Å; F739-L757 HydrophobicContact CE1-CD1 3.79Å; F739-L757 HydrophobicContact CE2-CB 4.09Å; F739-L757 HydrophobicContact CG-CB 4.46Å; F739-L757 HydrophobicContact CZ-CB 4.1Å; F739-L757 HydrophobicContact CZ-CD1 4.08Å; F739-L757 HydrophobicContact CZ-CG 4.49Å; D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 VanDerWaalsContact O-CG 3.28Å; D753-L757 WeakPolarHBondContact O-CG 3.47Å; D753-L757 PolarHBondContact O-N 2.88Å; V754-L757 PolarHBondContact O-N 3.15Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.94Å; L757-L760 PolarHBondContact O-N 3.42Å; L757-T761 WeakPolarHBondContact O-CG2 3.48Å; L757-T761 PolarHBondContact O-N 3.48Å |
| 758 | I | 89.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.7 | -64.7 | 164 | 0 | 0 | 0 | 110 | F739 Q740 L743 V754 L760 T761 Y762 V774 | F739-I758 HydrophobicContact CB-CD1 4.01Å; F739-I758 HydrophobicContact CB-CG1 3.39Å; F739-I758 HydrophobicContact CD2-CG1 4.46Å; F739-I758 HydrophobicContact CG-CG1 4.3Å; Q740-I758 HydrophobicContact CG-CD1 4.23Å; L743-I758 HydrophobicContact CD1-CD1 3.72Å; L743-I758 HydrophobicContact CG-CD1 4.22Å; V754-I758 HydrophobicContact CG1-CD1 3.89Å; V754-I758 HydrophobicContact CG1-CG1 4.46Å; V754-I758 VanDerWaalsContact O-CG1 3.27Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.14Å; I758-L760 PolarHBondContact O-N 3.08Å; I758-T761 PolarHBondContact O-N 2.83Å; I758-T761 VanDerWaalsContact O-N 3.08Å; I758-T761 PolarHBondContact O-OG1 3.27Å; I758-Y762 HydrophobicContact CG2-CD2 3.86Å; I758-Y762 HydrophobicContact CG2-CE2 3.62Å; I758-Y762 WeakPolarHBondContact O-CD2 3.5Å; I758-Y762 PolarHBondContact O-N 3.12Å; I758-V774 HydrophobicContact CB-CG1 3.77Å; I758-V774 HydrophobicContact CG2-CB 4.33Å; I758-V774 HydrophobicContact CG2-CG1 3.67Å; I758-V774 HydrophobicContact CG2-CG2 3.87Å |
| 759 | G | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y755 R756 L757 T761 Y762 I763 A771 Y775 | Y755-G759 PolarHBondContact O-N 3.2Å; Y755-G759 VanDerWaalsContact O-N 3.11Å; R756-G759 PolarHBondContact O-N 3.48Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.94Å; G759-T761 VanDerWaalsContact C-N 3.32Å; G759-T761 PolarHBondContact O-N 3.12Å; G759-Y762 PolarHBondContact O-N 3.21Å; G759-Y762 VanDerWaalsContact O-N 3.11Å; G759-I763 PolarHBondContact O-N 3.37Å; G759-A771 WeakPolarHBondContact O-CB 3.49Å; G759-Y775 VanDerWaalsContact C-OH 3.22Å |
| 760 | L | 88.5 | Confident | 84.7 | Confident | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.199 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -37.1 | 172.6 | -71.3 | 167 | 0 | 0 | 0 | 112.1 | R756 L757 I758 Y762 I763 Q764 Y775 | R756-L760 HydrophobicContact CG-CD1 4.25Å; R756-L760 WeakPolarHBondContact O-CG 3.5Å; R756-L760 PolarHBondContact O-N 3.48Å; L757-L760 PolarHBondContact O-N 3.42Å; I758-L760 PolarHBondContact O-N 3.08Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.33Å; L760-I763 HydrophobicContact CD2-CD1 4.49Å; L760-I763 PolarHBondContact O-N 3.13Å; L760-Q764 PolarHBondContact O-N 3.31Å; L760-Q764 VanDerWaalsContact O-N 3.07Å; L760-Y775 PolarHBondContact N-OH 3.08Å |
| 761 | T | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 173.6 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | Y727 A735 F739 L757 I758 G759 Q764 L765 | Y727-T761 HydrophobicContact CD2-CG2 3.7Å; Y727-T761 HydrophobicContact CE2-CG2 4.22Å; A735-T761 HydrophobicContact CB-CG2 4.42Å; F739-T761 HydrophobicContact CD2-CG2 3.79Å; F739-T761 HydrophobicContact CE2-CG2 3.58Å; L757-T761 WeakPolarHBondContact O-CG2 3.48Å; L757-T761 PolarHBondContact O-N 3.48Å; I758-T761 PolarHBondContact O-N 2.83Å; I758-T761 VanDerWaalsContact O-N 3.08Å; I758-T761 PolarHBondContact O-OG1 3.27Å; G759-T761 VanDerWaalsContact C-N 3.32Å; G759-T761 PolarHBondContact O-N 3.12Å; T761-Q764 PolarHBondContact O-N 2.87Å; T761-L765 WeakPolarHBondContact O-CB 3.38Å; T761-L765 WeakPolarHBondContact O-CG 3.26Å; T761-L765 PolarHBondContact O-N 3.16Å |
| 762 | Y | 91.1 | Very high | 86.8 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | 174.6 | -80.3 | -59.6 | 0 | 0 | 0 | 113 | L736 I758 G759 L760 L765 Q767 R770 V774 | L736-Y762 HydrophobicContact CD1-CD1 4Å; L736-Y762 HydrophobicContact CD1-CE1 3.43Å; L736-Y762 VanDerWaalsContact CD1-CE1 3.43Å; L736-Y762 HydrophobicContact CD1-CE2 4.05Å; L736-Y762 VanDerWaalsContact CD1-CZ 3.47Å; I758-Y762 HydrophobicContact CG2-CD2 3.86Å; I758-Y762 HydrophobicContact CG2-CE2 3.62Å; I758-Y762 WeakPolarHBondContact O-CD2 3.5Å; I758-Y762 PolarHBondContact O-N 3.12Å; G759-Y762 PolarHBondContact O-N 3.21Å; G759-Y762 VanDerWaalsContact O-N 3.11Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.33Å; Y762-L765 HydrophobicContact CD1-CD1 4.37Å; Y762-L765 PolarHBondContact O-N 3.21Å; Y762-Q767 HydrophobicContact CD1-CB 4.18Å; Y762-Q767 CarbonylContact O-C 3.39Å; Y762-Q767 VanDerWaalsContact O-C 3.29Å; Y762-Q767 VanDerWaalsContact O-CA 3.29Å; Y762-Q767 WeakPolarHBondContact O-CA 3.38Å; Y762-Q767 PolarHBondContact O-N 3.02Å; Y762-R770 HydrophobicContact CD1-CB 3.44Å; Y762-R770 VanDerWaalsContact CD1-CB 3.44Å; Y762-R770 HydrophobicContact CD1-CG 4.32Å; Y762-R770 HydrophobicContact CD2-CB 3.96Å; Y762-R770 HydrophobicContact CE1-CB 3.61Å; Y762-R770 HydrophobicContact CE1-CG 4.14Å; Y762-R770 HydrophobicContact CE2-CB 4.11Å; Y762-R770 HydrophobicContact CG-CB 3.63Å; Y762-V774 HydrophobicContact CD2-CG2 4.05Å; Y762-V774 HydrophobicContact CE2-CG2 3.69Å |
| 763 | I | 87.3 | Confident | 87.6 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 171.3 | -66.6 | 174 | 0 | 0 | 0 | 110.1 | G759 L760 L765 N766 A771 Y775 A796 | G759-I763 PolarHBondContact O-N 3.37Å; L760-I763 HydrophobicContact CD2-CD1 4.49Å; L760-I763 PolarHBondContact O-N 3.13Å; I763-L765 PolarHBondContact O-N 3.12Å; I763-N766 WeakPolarHBondContact O-CA 3.31Å; I763-N766 PolarHBondContact O-N 2.95Å; I763-A771 HydrophobicContact CD1-CB 4.4Å; I763-A771 HydrophobicContact CG1-CB 3.72Å; I763-Y775 HydrophobicContact CD1-CE2 4.27Å; I763-A796 HydrophobicContact CD1-CB 4.17Å |
| 764 | Q | 87.6 | Confident | 88.2 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 41% | 0.407 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.6 | -21.8 | 178.6 | -65.7 | -59.7 | -33.9 | 0 | 0 | 114.4 | Y727 Y732 L760 T761 N766 | Y727-Q764 HydrophobicContact CE2-CB 4.17Å; Y727-Q764 HydrophobicContact CE2-CG 3.55Å; Y727-Q764 VanDerWaalsContact OH-CG 3.29Å; Y727-Q764 WeakPolarHBondContact OH-CG 3.5Å; Y732-Q764 HydrophobicContact CD1-CB 4.13Å; Y732-Q764 HydrophobicContact CD2-CB 4.17Å; Y732-Q764 HydrophobicContact CE1-CB 3.72Å; Y732-Q764 HydrophobicContact CE1-CG 4.19Å; Y732-Q764 HydrophobicContact CE2-CB 3.75Å; Y732-Q764 WeakPolarHBondContact CE2-O 3.37Å; Y732-Q764 HydrophobicContact CG-CB 4.34Å; L760-Q764 PolarHBondContact O-N 3.31Å; L760-Q764 VanDerWaalsContact O-N 3.07Å; T761-Q764 PolarHBondContact O-N 2.87Å; Q764-N766 PolarHBondContact O-N 3.34Å |
| 765 | L | 86.9 | Confident | 88.4 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 4 | 169.3 | -81.3 | 165.3 | 0 | 0 | 0 | 113.6 | Y732 K733 L736 T761 Y762 I763 Q767 | Y732-L765 HydrophobicContact CD2-CD2 4.12Å; Y732-L765 HydrophobicContact CD2-CG 4.14Å; Y732-L765 HydrophobicContact CG-CD2 4.49Å; Y732-L765 HydrophobicContact CG-CG 4.26Å; K733-L765 HydrophobicContact CG-CD2 4.43Å; L736-L765 HydrophobicContact CD1-CD1 3.93Å; T761-L765 WeakPolarHBondContact O-CB 3.38Å; T761-L765 WeakPolarHBondContact O-CG 3.26Å; T761-L765 PolarHBondContact O-N 3.16Å; Y762-L765 HydrophobicContact CD1-CD1 4.37Å; Y762-L765 PolarHBondContact O-N 3.21Å; I763-L765 PolarHBondContact O-N 3.12Å; L765-Q767 HydrophobicContact CB-CB 4.38Å; L765-Q767 HydrophobicContact CB-CG 4.29Å; L765-Q767 PolarHBondContact O-N 2.81Å |
| 766 | N | 84 | Confident | 88.5 | Confident | 148 Ų | 148 | 42.6 Ų | 42.6 | 79% | 0.791 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34.4 | -168 | -65.3 | -26.6 | 0 | 0 | 0 | 112.7 | I763 Q764 P768 | I763-N766 WeakPolarHBondContact O-CA 3.31Å; I763-N766 PolarHBondContact O-N 2.95Å; Q764-N766 PolarHBondContact O-N 3.34Å; N766-P768 WeakPolarHBondContact O-CD 3.42Å |
| 767 | Q | 87.2 | Confident | 88.5 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | trans | -119.5 | 51.3 | 178.8 | -66.5 | 177.3 | 20.4 | 0 | 0 | 112.4 | Y762 L765 N769 R770 A771 | Y762-Q767 HydrophobicContact CD1-CB 4.18Å; Y762-Q767 CarbonylContact O-C 3.39Å; Y762-Q767 VanDerWaalsContact O-C 3.29Å; Y762-Q767 VanDerWaalsContact O-CA 3.29Å; Y762-Q767 WeakPolarHBondContact O-CA 3.38Å; Y762-Q767 PolarHBondContact O-N 3.02Å; L765-Q767 HydrophobicContact CB-CB 4.38Å; L765-Q767 HydrophobicContact CB-CG 4.29Å; L765-Q767 PolarHBondContact O-N 2.81Å; Q767-N769 PolarHBondContact O-N 2.77Å; Q767-R770 PolarHBondContact O-N 3.45Å; Q767-A771 PolarHBondContact O-N 2.68Å | ||
| 768 | P | 85.4 | Confident | 88.2 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -24.7 | -177.3 | 24 | -34.7 | 0 | 0 | 0 | 113.9 | N766 R770 A771 I772 A796 L800 | N766-P768 WeakPolarHBondContact O-CD 3.42Å; P768-R770 VanDerWaalsContact C-N 3.33Å; P768-R770 PolarHBondContact O-N 2.97Å; P768-A771 WeakPolarHBondContact O-CB 3.39Å; P768-A771 PolarHBondContact O-N 2.97Å; P768-I772 WeakPolarHBondContact O-CD1 3.43Å; P768-I772 WeakPolarHBondContact O-CG1 3.41Å; P768-I772 PolarHBondContact O-N 3.24Å; P768-A796 HydrophobicContact CB-CB 4.3Å; P768-L800 HydrophobicContact CB-CD1 3.95Å; P768-L800 HydrophobicContact CB-CG 4.08Å; P768-L800 HydrophobicContact CG-CD1 3.9Å; P768-L800 HydrophobicContact CG-CD2 3.82Å; P768-L800 HydrophobicContact CG-CG 3.66Å |
| 769 | N | 88.7 | Confident | 88 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 171.3 | -67.4 | -66.3 | 0 | 0 | 0 | 112.6 | Q767 I772 E773 | Q767-N769 PolarHBondContact O-N 2.77Å; N769-I772 WeakPolarHBondContact O-CB 3.15Å; N769-I772 PolarHBondContact O-N 3.4Å; N769-E773 WeakPolarHBondContact O-CG 3.48Å; N769-E773 PolarHBondContact O-N 3.29Å; N769-E773 VanDerWaalsContact O-N 3.13Å |
| 770 | R | 88.3 | Confident | 87.8 | Confident | 122 Ų | 122 | 49 Ų | 49 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.8 | -28.5 | 177.1 | -72.2 | -178.2 | 172.4 | 162.3 | -11.5 | 112.5 | Y762 Q767 P768 I772 E773 V774 | Y762-R770 HydrophobicContact CD1-CB 3.44Å; Y762-R770 VanDerWaalsContact CD1-CB 3.44Å; Y762-R770 HydrophobicContact CD1-CG 4.32Å; Y762-R770 HydrophobicContact CD2-CB 3.96Å; Y762-R770 HydrophobicContact CE1-CB 3.61Å; Y762-R770 HydrophobicContact CE1-CG 4.14Å; Y762-R770 HydrophobicContact CE2-CB 4.11Å; Y762-R770 HydrophobicContact CG-CB 3.63Å; Q767-R770 PolarHBondContact O-N 3.45Å; P768-R770 VanDerWaalsContact C-N 3.33Å; P768-R770 PolarHBondContact O-N 2.97Å; R770-I772 VanDerWaalsContact C-N 3.33Å; R770-E773 PolarHBondContact O-N 2.78Å; R770-V774 WeakPolarHBondContact O-CG2 3.25Å; R770-V774 PolarHBondContact O-N 3.4Å |
| 771 | A | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G759 I763 Q767 P768 V774 Y775 | G759-A771 WeakPolarHBondContact O-CB 3.49Å; I763-A771 HydrophobicContact CD1-CB 4.4Å; I763-A771 HydrophobicContact CG1-CB 3.72Å; Q767-A771 PolarHBondContact O-N 2.68Å; P768-A771 WeakPolarHBondContact O-CB 3.39Å; P768-A771 PolarHBondContact O-N 2.97Å; A771-V774 PolarHBondContact O-N 2.72Å; A771-Y775 HydrophobicContact CB-CD2 4.35Å; A771-Y775 HydrophobicContact CB-CE2 3.89Å; A771-Y775 WeakPolarHBondContact O-CB 3.33Å; A771-Y775 WeakPolarHBondContact O-CD2 3.23Å; A771-Y775 PolarHBondContact O-N 2.98Å |
| 772 | I | 90.4 | Very high | 86.3 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.4 | -72.6 | 154.3 | 0 | 0 | 0 | 111.7 | P768 N769 R770 V774 Y775 T776 R793 A796 Y797 L800 | P768-I772 WeakPolarHBondContact O-CD1 3.43Å; P768-I772 WeakPolarHBondContact O-CG1 3.41Å; P768-I772 PolarHBondContact O-N 3.24Å; N769-I772 WeakPolarHBondContact O-CB 3.15Å; N769-I772 PolarHBondContact O-N 3.4Å; R770-I772 VanDerWaalsContact C-N 3.33Å; I772-V774 PolarHBondContact O-N 3.04Å; I772-Y775 PolarHBondContact O-N 2.88Å; I772-T776 WeakPolarHBondContact O-CG2 3.41Å; I772-T776 PolarHBondContact O-N 3.5Å; I772-R793 HydrophobicContact CG1-CG 4.14Å; I772-R793 HydrophobicContact CG2-CG 4.47Å; I772-A796 HydrophobicContact CD1-CB 4.15Å; I772-A796 HydrophobicContact CG1-CB 3.84Å; I772-Y797 HydrophobicContact CB-CE1 4.37Å; I772-Y797 HydrophobicContact CD1-CD1 3.39Å; I772-Y797 HydrophobicContact CD1-CE1 3.46Å; I772-Y797 VanDerWaalsContact CD1-CE1 3.46Å; I772-Y797 HydrophobicContact CD1-CG 4.14Å; I772-Y797 HydrophobicContact CG1-CD1 4.05Å; I772-Y797 HydrophobicContact CG1-CE1 3.86Å; I772-Y797 HydrophobicContact CG1-CG 4.49Å; I772-Y797 HydrophobicContact CG2-CE1 3.63Å; I772-Y797 HydrophobicContact CG2-CE2 4.48Å; I772-Y797 VanDerWaalsContact CG2-OH 3.24Å; I772-Y797 WeakPolarHBondContact CG2-OH 3.26Å; I772-L800 HydrophobicContact CD1-CD1 3.61Å |
| 773 | E | 89.4 | Confident | 85.3 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55 | -52.4 | 175.8 | -70.1 | 155.8 | -160.2 | 0 | 0 | 110.8 | N769 R770 Y775 T776 E777 | N769-E773 WeakPolarHBondContact O-CG 3.48Å; N769-E773 PolarHBondContact O-N 3.29Å; N769-E773 VanDerWaalsContact O-N 3.13Å; R770-E773 PolarHBondContact O-N 2.78Å; E773-Y775 PolarHBondContact O-N 3.25Å; E773-T776 PolarHBondContact O-N 3.4Å; E773-T776 VanDerWaalsContact O-N 3.09Å; E773-T776 PolarHBondContact O-OG1 3.34Å; E773-E777 PolarHBondContact O-N 2.73Å |
| 774 | V | 89.8 | Confident | 84.5 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.6 | 168 | 0 | 0 | 0 | 0 | 113.1 | Y755 I758 Y762 R770 A771 I772 T776 E777 G778 | Y755-V774 HydrophobicContact CD1-CG1 3.73Å; Y755-V774 VanDerWaalsContact CD1-O 3.29Å; Y755-V774 WeakPolarHBondContact CD1-O 3.19Å; Y755-V774 HydrophobicContact CE1-CG1 4.44Å; Y755-V774 WeakPolarHBondContact O-CG1 3.5Å; I758-V774 HydrophobicContact CB-CG1 3.77Å; I758-V774 HydrophobicContact CG2-CB 4.33Å; I758-V774 HydrophobicContact CG2-CG1 3.67Å; I758-V774 HydrophobicContact CG2-CG2 3.87Å; Y762-V774 HydrophobicContact CD2-CG2 4.05Å; Y762-V774 HydrophobicContact CE2-CG2 3.69Å; R770-V774 WeakPolarHBondContact O-CG2 3.25Å; R770-V774 PolarHBondContact O-N 3.4Å; A771-V774 PolarHBondContact O-N 2.72Å; I772-V774 PolarHBondContact O-N 3.04Å; V774-T776 VanDerWaalsContact C-N 3.29Å; V774-T776 PolarHBondContact O-N 3.22Å; V774-E777 PolarHBondContact O-N 3.34Å; V774-G778 PolarHBondContact O-N 3.06Å |
| 775 | Y | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 173.9 | -63.9 | -36.9 | 0 | 0 | 0 | 111.7 | G759 L760 I763 A771 I772 E773 I779 I789 C792 R793 A796 | G759-Y775 VanDerWaalsContact C-OH 3.22Å; L760-Y775 PolarHBondContact N-OH 3.08Å; I763-Y775 HydrophobicContact CD1-CE2 4.27Å; A771-Y775 HydrophobicContact CB-CD2 4.35Å; A771-Y775 HydrophobicContact CB-CE2 3.89Å; A771-Y775 WeakPolarHBondContact O-CB 3.33Å; A771-Y775 WeakPolarHBondContact O-CD2 3.23Å; A771-Y775 PolarHBondContact O-N 2.98Å; I772-Y775 PolarHBondContact O-N 2.88Å; E773-Y775 PolarHBondContact O-N 3.25Å; Y775-I779 WeakPolarHBondContact O-CB 3.26Å; Y775-I779 WeakPolarHBondContact O-CD1 3.49Å; Y775-I779 WeakPolarHBondContact O-CG1 3.06Å; Y775-I779 PolarHBondContact O-N 3.41Å; Y775-I789 HydrophobicContact CD1-CG2 3.83Å; Y775-I789 HydrophobicContact CG-CG2 4.12Å; Y775-C792 HydrophobicContact CE1-CB 4.08Å; Y775-C792 HydrophobicContact CE2-CB 3.96Å; Y775-C792 WeakPolarHBondContact CE2-O 3.49Å; Y775-R793 HydrophobicContact CD2-CB 3.69Å; Y775-R793 HydrophobicContact CD2-CG 4Å; Y775-R793 HydrophobicContact CG-CB 4.1Å; Y775-R793 HydrophobicContact CG-CG 4.47Å; Y775-A796 HydrophobicContact CE2-CB 4.31Å |
| 776 | T | 89.5 | Confident | 83.5 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 172.3 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | I772 E773 V774 I779 N780 R793 | I772-T776 WeakPolarHBondContact O-CG2 3.41Å; I772-T776 PolarHBondContact O-N 3.5Å; E773-T776 PolarHBondContact O-N 3.4Å; E773-T776 VanDerWaalsContact O-N 3.09Å; E773-T776 PolarHBondContact O-OG1 3.34Å; V774-T776 VanDerWaalsContact C-N 3.29Å; V774-T776 PolarHBondContact O-N 3.22Å; T776-I779 PolarHBondContact O-N 2.96Å; T776-N780 WeakPolarHBondContact O-CB 3.5Å; T776-N780 PolarHBondContact O-N 3.09Å; T776-N780 PolarHBondContact O-ND2 2.82Å; T776-N780 PolarHBondContact O-OD1 2.78Å; T776-R793 VanDerWaalsContact CG2-NH1 3.26Å |
| 777 | E | 85.8 | Confident | 83.6 | Confident | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.1 | -68.9 | -174.8 | -174.1 | 0 | 0 | 112.4 | Y755 E773 V774 I779 N780 K781 | Y755-E777 HydrophobicContact CD1-CB 4.29Å; Y755-E777 HydrophobicContact CE1-CB 3.57Å; E773-E777 PolarHBondContact O-N 2.73Å; V774-E777 PolarHBondContact O-N 3.34Å; E777-I779 VanDerWaalsContact C-N 3.3Å; E777-I779 PolarHBondContact O-N 3.41Å; E777-N780 PolarHBondContact O-N 3.43Å; E777-K781 PolarHBondContact O-N 2.99Å; E777-K781 VanDerWaalsContact O-N 3.16Å |
| 778 | G | 84.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -37 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V774 Q782 | V774-G778 PolarHBondContact O-N 3.06Å; G778-Q782 PolarHBondContact O-NE2 2.84Å |
| 779 | I | 84.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 173.2 | -81.3 | 161.3 | 0 | 0 | 0 | 111.6 | Y775 T776 E777 K781 Q782 P785 I789 L790 R793 | Y775-I779 WeakPolarHBondContact O-CB 3.26Å; Y775-I779 WeakPolarHBondContact O-CD1 3.49Å; Y775-I779 WeakPolarHBondContact O-CG1 3.06Å; Y775-I779 PolarHBondContact O-N 3.41Å; T776-I779 PolarHBondContact O-N 2.96Å; E777-I779 VanDerWaalsContact C-N 3.3Å; E777-I779 PolarHBondContact O-N 3.41Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.35Å; I779-Q782 PolarHBondContact O-N 3.44Å; I779-P785 HydrophobicContact CB-CB 4.48Å; I779-P785 HydrophobicContact CG1-CB 4.16Å; I779-P785 HydrophobicContact CG2-CB 4.04Å; I779-I789 HydrophobicContact CD1-CB 4.42Å; I779-I789 HydrophobicContact CD1-CG2 3.85Å; I779-I789 HydrophobicContact CG1-CB 4.25Å; I779-I789 HydrophobicContact CG1-CG2 3.81Å; I779-L790 HydrophobicContact CD1-CD2 3.52Å; I779-L790 HydrophobicContact CD1-CG 3.79Å; I779-L790 HydrophobicContact CG1-CD2 4.5Å; I779-L790 HydrophobicContact CG1-CG 4.47Å; I779-R793 VanDerWaalsContact CD1-NH1 3.27Å |
| 780 | N | 83.4 | Confident | 83.5 | Confident | 130 Ų | 130 | 57.3 Ų | 57.3 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.2 | -19.9 | -176 | -68.6 | -4.9 | 0 | 0 | 0 | 113.8 | T776 E777 | T776-N780 WeakPolarHBondContact O-CB 3.5Å; T776-N780 PolarHBondContact O-N 3.09Å; T776-N780 PolarHBondContact O-ND2 2.82Å; T776-N780 PolarHBondContact O-OD1 2.78Å; E777-N780 PolarHBondContact O-N 3.43Å |
| 781 | K | 77.4 | Confident | 83.5 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.7 | 175.1 | -80.9 | -176 | 171.7 | 179.4 | 0 | 114.7 | Y755 E777 I779 | Y755-K781 HydrophobicContact CE2-CD 3.79Å; Y755-K781 WeakPolarHBondContact OH-CE 3.27Å; Y755-K781 PolarHBondContact OH-NZ 3.23Å; E777-K781 PolarHBondContact O-N 2.99Å; E777-K781 VanDerWaalsContact O-N 3.16Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.35Å |
| 782 | Q | 69.4 | Low | 83.3 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | trans | -112.8 | 133.9 | -175.8 | -63.6 | 167.2 | 45.3 | 0 | 0 | 110.2 | T752 G778 I779 I784 | T752-Q782 HydrophobicContact CG2-CG 4.31Å; G778-Q782 PolarHBondContact O-NE2 2.84Å; I779-Q782 PolarHBondContact O-N 3.44Å; Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 WeakPolarHBondContact CB-O 3.4Å; Q782-I784 PolarHBondContact O-N 2.68Å; Q782-I784 PolarHBondContact OE1-O 3.36Å | ||
| 783 | I | 70 | Confident | 83.4 | Confident | 179 Ų | 179 | 54 Ų | 54 | 92% | 0.918 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -62.8 | -40.2 | 173.8 | -57.9 | 174.1 | 0 | 0 | 0 | 110 | ||
| 784 | I | 71.4 | Confident | 83.4 | Confident | 130 Ų | 130 | 49.2 Ų | 49.2 | 67% | 0.667 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -116 | 114.8 | 173 | -55.8 | 175.2 | 0 | 0 | 0 | 107.4 | Q782 N786 L816 | Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 WeakPolarHBondContact CB-O 3.4Å; Q782-I784 PolarHBondContact O-N 2.68Å; Q782-I784 PolarHBondContact OE1-O 3.36Å; I784-N786 PolarHBondContact O-N 3.08Å; I784-L816 HydrophobicContact CG2-CD2 4.36Å |
| 785 | P | 73.8 | Confident | 83.2 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -74 | 122.6 | -173.9 | 29.3 | -35.5 | 0 | 0 | 0 | 111.9 | I779 I787 L790 L816 | I779-P785 HydrophobicContact CB-CB 4.48Å; I779-P785 HydrophobicContact CG1-CB 4.16Å; I779-P785 HydrophobicContact CG2-CB 4.04Å; P785-I787 PolarHBondContact O-N 3.37Å; P785-L790 HydrophobicContact CB-CD1 4.32Å; P785-L790 HydrophobicContact CG-CD1 4.28Å; P785-L816 HydrophobicContact CG-CD1 3.82Å; P785-L816 HydrophobicContact CG-CD2 4.23Å | ||
| 786 | N | 80.2 | Confident | 83.2 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | trans | -56.2 | 123.1 | 178.2 | -176.1 | -33.4 | 0 | 0 | 0 | 112.2 | I784 N788 I789 L790 | I784-N786 PolarHBondContact O-N 3.08Å; N786-N788 PolarHBondContact O-N 3.03Å; N786-N788 WeakPolarHBondContact OD1-CB 3.4Å; N786-N788 PolarHBondContact OD1-N 3.37Å; N786-I789 HydrophobicContact CB-CD1 4.2Å; N786-I789 HydrophobicContact CB-CG1 4.24Å; N786-I789 PolarHBondContact O-N 2.98Å; N786-L790 PolarHBondContact O-N 3.21Å | ||
| 787 | I | 84.6 | Confident | 83.2 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.6 | -41 | -179.3 | -68.4 | 164.9 | 0 | 0 | 0 | 111.9 | P785 I789 L790 L791 V813 L816 | P785-I787 PolarHBondContact O-N 3.37Å; I787-I789 VanDerWaalsContact C-N 3.26Å; I787-I789 PolarHBondContact O-N 3.33Å; I787-L790 PolarHBondContact O-N 3.01Å; I787-L790 VanDerWaalsContact O-N 3.16Å; I787-L791 HydrophobicContact CG2-CD1 3.79Å; I787-L791 HydrophobicContact CG2-CG 4.14Å; I787-L791 WeakPolarHBondContact O-CG 3.44Å; I787-L791 PolarHBondContact O-N 3.05Å; I787-V813 HydrophobicContact CG2-CG1 3.82Å; I787-V813 HydrophobicContact CG2-CG2 4.37Å; I787-L816 HydrophobicContact CG1-CB 4.37Å |
| 788 | N | 84.6 | Confident | 83.1 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.1 | -31.1 | -178.9 | -65 | -27.3 | 0 | 0 | 0 | 112.7 | N786 C792 | N786-N788 PolarHBondContact O-N 3.03Å; N786-N788 WeakPolarHBondContact OD1-CB 3.4Å; N786-N788 PolarHBondContact OD1-N 3.37Å; N788-C792 WeakPolarHBondContact O-CB 3.46Å; N788-C792 PolarHBondContact O-N 2.94Å; N788-C792 VanDerWaalsContact O-N 3.08Å; N788-C792 PolarHBondContact O-SG 3.32Å; N788-C792 VanDerWaalsContact O-SG 3.34Å |
| 789 | I | 86.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.7 | -38 | 177.9 | -55.6 | 179.6 | 0 | 0 | 0 | 110.3 | Y775 I779 N786 I787 R793 | Y775-I789 HydrophobicContact CD1-CG2 3.83Å; Y775-I789 HydrophobicContact CG-CG2 4.12Å; I779-I789 HydrophobicContact CD1-CB 4.42Å; I779-I789 HydrophobicContact CD1-CG2 3.85Å; I779-I789 HydrophobicContact CG1-CB 4.25Å; I779-I789 HydrophobicContact CG1-CG2 3.81Å; N786-I789 HydrophobicContact CB-CD1 4.2Å; N786-I789 HydrophobicContact CB-CG1 4.24Å; N786-I789 PolarHBondContact O-N 2.98Å; I787-I789 VanDerWaalsContact C-N 3.26Å; I787-I789 PolarHBondContact O-N 3.33Å; I789-R793 VanDerWaalsContact O-CB 3.32Å; I789-R793 WeakPolarHBondContact O-CB 3.26Å; I789-R793 PolarHBondContact O-N 3.35Å |
| 790 | L | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 173.9 | -74.4 | 165.1 | 0 | 0 | 0 | 111.7 | I779 P785 N786 I787 R793 S794 R812 V813 L816 | I779-L790 HydrophobicContact CD1-CD2 3.52Å; I779-L790 HydrophobicContact CD1-CG 3.79Å; I779-L790 HydrophobicContact CG1-CD2 4.5Å; I779-L790 HydrophobicContact CG1-CG 4.47Å; P785-L790 HydrophobicContact CB-CD1 4.32Å; P785-L790 HydrophobicContact CG-CD1 4.28Å; N786-L790 PolarHBondContact O-N 3.21Å; I787-L790 PolarHBondContact O-N 3.01Å; I787-L790 VanDerWaalsContact O-N 3.16Å; L790-R793 PolarHBondContact O-N 2.85Å; L790-S794 PolarHBondContact O-N 3.07Å; L790-R812 HydrophobicContact CD1-CB 4.12Å; L790-R812 HydrophobicContact CD2-CB 4.31Å; L790-V813 HydrophobicContact CB-CG2 3.49Å; L790-V813 VanDerWaalsContact CB-CG2 3.49Å; L790-V813 HydrophobicContact CD1-CG2 4.17Å; L790-V813 HydrophobicContact CG-CG2 4.45Å; L790-L816 HydrophobicContact CD1-CD1 3.34Å |
| 791 | L | 88.1 | Confident | 82.8 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -54.6 | 175 | -72.8 | 174 | 0 | 0 | 0 | 111.2 | I787 R793 S794 E795 V813 L826 | I787-L791 HydrophobicContact CG2-CD1 3.79Å; I787-L791 HydrophobicContact CG2-CG 4.14Å; I787-L791 WeakPolarHBondContact O-CG 3.44Å; I787-L791 PolarHBondContact O-N 3.05Å; L791-R793 PolarHBondContact O-N 3.01Å; L791-S794 WeakPolarHBondContact O-CA 3.42Å; L791-S794 WeakPolarHBondContact O-CB 3.3Å; L791-S794 PolarHBondContact O-N 3.29Å; L791-S794 PolarHBondContact O-OG 3.35Å; L791-E795 WeakPolarHBondContact O-CG 3.26Å; L791-E795 PolarHBondContact O-N 3.33Å; L791-V813 HydrophobicContact CD2-CG1 4.22Å; L791-V813 HydrophobicContact CD2-CG2 4.15Å; L791-V813 HydrophobicContact CG-CG1 4.5Å; L791-V813 HydrophobicContact CG-CG2 4.17Å; L791-L826 HydrophobicContact CD2-CD2 3.86Å |
| 792 | C | 88 | Confident | 83.1 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -28.9 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | Y775 N788 A796 | Y775-C792 HydrophobicContact CE1-CB 4.08Å; Y775-C792 HydrophobicContact CE2-CB 3.96Å; Y775-C792 WeakPolarHBondContact CE2-O 3.49Å; N788-C792 WeakPolarHBondContact O-CB 3.46Å; N788-C792 PolarHBondContact O-N 2.94Å; N788-C792 VanDerWaalsContact O-N 3.08Å; N788-C792 PolarHBondContact O-SG 3.32Å; N788-C792 VanDerWaalsContact O-SG 3.34Å; C792-A796 WeakPolarHBondContact O-CB 3.22Å; C792-A796 PolarHBondContact O-N 3.47Å; C792-A796 VanDerWaalsContact O-N 3.07Å |
| 793 | R | 91.2 | Very high | 83.7 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.5 | -38.7 | 172.4 | -164.8 | 173.3 | 71.6 | -167 | 2.1 | 112.2 | I772 Y775 T776 I779 I789 L790 L791 E795 A796 Y797 D809 | I772-R793 HydrophobicContact CG1-CG 4.14Å; I772-R793 HydrophobicContact CG2-CG 4.47Å; Y775-R793 HydrophobicContact CD2-CB 3.69Å; Y775-R793 HydrophobicContact CD2-CG 4Å; Y775-R793 HydrophobicContact CG-CB 4.1Å; Y775-R793 HydrophobicContact CG-CG 4.47Å; T776-R793 VanDerWaalsContact CG2-NH1 3.26Å; I779-R793 VanDerWaalsContact CD1-NH1 3.27Å; I789-R793 VanDerWaalsContact O-CB 3.32Å; I789-R793 WeakPolarHBondContact O-CB 3.26Å; I789-R793 PolarHBondContact O-N 3.35Å; L790-R793 PolarHBondContact O-N 2.85Å; L791-R793 PolarHBondContact O-N 3.01Å; R793-E795 VanDerWaalsContact C-N 3.33Å; R793-E795 PolarHBondContact O-N 3.46Å; R793-A796 PolarHBondContact O-N 2.96Å; R793-Y797 HydrophobicContact CG-CD2 4.08Å; R793-Y797 HydrophobicContact CG-CE2 3.71Å; R793-Y797 VanDerWaalsContact O-CD2 3.29Å; R793-Y797 WeakPolarHBondContact O-CD2 3.44Å; R793-Y797 PolarHBondContact O-N 3.35Å; R793-D809 WeakPolarHBondContact CB-OD2 3.25Å; R793-D809 VanDerWaalsContact CG-OD2 3.29Å; R793-D809 WeakPolarHBondContact CG-OD2 3.15Å; R793-D809 IonicContact CZ-OD1 2.68Å; R793-D809 IonicContact CZ-OD2 3.66Å; R793-D809 IonicContact NE-OD1 3.35Å; R793-D809 PolarHBondContact NE-OD1 3.35Å; R793-D809 IonicContact NE-OD2 2.76Å; R793-D809 PolarHBondContact NE-OD2 3.14Å; R793-D809 IonicContact NH2-OD1 3.42Å; R793-D809 PolarHBondContact NH2-OD1 3.01Å; R793-D809 IonicContact NH2-OD2 3.63Å |
| 794 | S | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 172.8 | 82.8 | 0 | 0 | 0 | 0 | 111.8 | L790 L791 Y797 Y798 A806 | L790-S794 PolarHBondContact O-N 3.07Å; L791-S794 WeakPolarHBondContact O-CA 3.42Å; L791-S794 WeakPolarHBondContact O-CB 3.3Å; L791-S794 PolarHBondContact O-N 3.29Å; L791-S794 PolarHBondContact O-OG 3.35Å; S794-Y797 PolarHBondContact O-N 2.89Å; S794-Y798 VanDerWaalsContact O-CB 3.29Å; S794-Y798 WeakPolarHBondContact O-CB 3.25Å; S794-Y798 PolarHBondContact O-N 3.43Å; S794-A806 WeakPolarHBondContact O-CB 3.4Å |
| 795 | E | 86.8 | Confident | 85.1 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.9 | -68.5 | 176.3 | 155.3 | 0 | 0 | 111.9 | L791 R793 Y798 Q799 | L791-E795 WeakPolarHBondContact O-CG 3.26Å; L791-E795 PolarHBondContact O-N 3.33Å; R793-E795 VanDerWaalsContact C-N 3.33Å; R793-E795 PolarHBondContact O-N 3.46Å; E795-Y798 PolarHBondContact O-N 2.78Å; E795-Q799 WeakPolarHBondContact O-CG 3.46Å; E795-Q799 PolarHBondContact O-N 3.42Å |
| 796 | A | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I763 P768 I772 Y775 C792 R793 L800 | I763-A796 HydrophobicContact CD1-CB 4.17Å; P768-A796 HydrophobicContact CB-CB 4.3Å; I772-A796 HydrophobicContact CD1-CB 4.15Å; I772-A796 HydrophobicContact CG1-CB 3.84Å; Y775-A796 HydrophobicContact CE2-CB 4.31Å; C792-A796 WeakPolarHBondContact O-CB 3.22Å; C792-A796 PolarHBondContact O-N 3.47Å; C792-A796 VanDerWaalsContact O-N 3.07Å; R793-A796 PolarHBondContact O-N 2.96Å; A796-L800 PolarHBondContact O-N 2.67Å |
| 797 | Y | 90.1 | Very high | 86.1 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 171.3 | -74.6 | -49.6 | 0 | 0 | 0 | 112.2 | I772 R793 S794 L800 N801 Q802 K805 D809 | I772-Y797 HydrophobicContact CB-CE1 4.37Å; I772-Y797 HydrophobicContact CD1-CD1 3.39Å; I772-Y797 HydrophobicContact CD1-CE1 3.46Å; I772-Y797 VanDerWaalsContact CD1-CE1 3.46Å; I772-Y797 HydrophobicContact CD1-CG 4.14Å; I772-Y797 HydrophobicContact CG1-CD1 4.05Å; I772-Y797 HydrophobicContact CG1-CE1 3.86Å; I772-Y797 HydrophobicContact CG1-CG 4.49Å; I772-Y797 HydrophobicContact CG2-CE1 3.63Å; I772-Y797 HydrophobicContact CG2-CE2 4.48Å; I772-Y797 VanDerWaalsContact CG2-OH 3.24Å; I772-Y797 WeakPolarHBondContact CG2-OH 3.26Å; R793-Y797 HydrophobicContact CG-CD2 4.08Å; R793-Y797 HydrophobicContact CG-CE2 3.71Å; R793-Y797 VanDerWaalsContact O-CD2 3.29Å; R793-Y797 WeakPolarHBondContact O-CD2 3.44Å; R793-Y797 PolarHBondContact O-N 3.35Å; S794-Y797 PolarHBondContact O-N 2.89Å; Y797-L800 CarbonylContact O-C 3.57Å; Y797-L800 PolarHBondContact O-N 3.32Å; Y797-N801 PolarHBondContact O-N 3.44Å; Y797-Q802 HydrophobicContact CD1-CB 4.15Å; Y797-Q802 PolarHBondContact O-N 3.17Å; Y797-K805 HydrophobicContact CD1-CB 3.74Å; Y797-K805 HydrophobicContact CD1-CD 3.77Å; Y797-K805 HydrophobicContact CD1-CG 4.42Å; Y797-K805 HydrophobicContact CD2-CB 3.58Å; Y797-K805 HydrophobicContact CE1-CB 3.88Å; Y797-K805 HydrophobicContact CE1-CD 3.35Å; Y797-K805 HydrophobicContact CE1-CG 4.28Å; Y797-K805 HydrophobicContact CE2-CB 3.69Å; Y797-K805 HydrophobicContact CE2-CD 4.43Å; Y797-K805 HydrophobicContact CG-CB 3.62Å; Y797-K805 HydrophobicContact CG-CD 4.5Å; Y797-D809 WeakPolarHBondContact CD2-OD2 3.47Å; Y797-D809 VanDerWaalsContact CE2-OD2 3.24Å; Y797-D809 WeakPolarHBondContact CE2-OD2 3.38Å |
| 798 | Y | 84.5 | Confident | 86.3 | Confident | 67 Ų | 67 | 50 Ų | 50 | 26% | 0.263 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -42 | 178.2 | -180 | -94.5 | 0 | 0 | 0 | 112.3 | S794 E795 L800 N801 F803 Y830 K833 | S794-Y798 VanDerWaalsContact O-CB 3.29Å; S794-Y798 WeakPolarHBondContact O-CB 3.25Å; S794-Y798 PolarHBondContact O-N 3.43Å; E795-Y798 PolarHBondContact O-N 2.78Å; Y798-L800 VanDerWaalsContact C-N 3.26Å; Y798-L800 PolarHBondContact O-N 2.83Å; Y798-N801 PolarHBondContact O-N 3.13Å; Y798-F803 AromaticContact CD2-CD1 3.92Å; Y798-F803 HydrophobicContact CD2-CD1 3.92Å; Y798-F803 AromaticContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CE2-CD1 4.46Å; Y798-F803 HydrophobicContact CE2-CE1 4.24Å; Y798-F803 HydrophobicContact CG-CE1 4.47Å; Y798-Y830 AromaticContact CD2-CD1 3.77Å; Y798-Y830 HydrophobicContact CD2-CD1 3.77Å; Y798-Y830 AromaticContact CD2-CD2 3.86Å; Y798-Y830 HydrophobicContact CD2-CD2 3.86Å; Y798-Y830 AromaticContact CD2-CE1 3.62Å; Y798-Y830 HydrophobicContact CD2-CE1 3.62Å; Y798-Y830 AromaticContact CD2-CE2 3.72Å; Y798-Y830 HydrophobicContact CD2-CE2 3.72Å; Y798-Y830 AromaticContact CD2-CG 3.9Å; Y798-Y830 HydrophobicContact CD2-CG 3.9Å; Y798-Y830 AromaticContact CD2-CZ 3.6Å; Y798-Y830 AromaticContact CE2-CD1 3.61Å; Y798-Y830 HydrophobicContact CE2-CD1 3.61Å; Y798-Y830 AromaticContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CG 4.09Å; Y798-Y830 HydrophobicContact CG-CE1 4.18Å; Y798-Y830 HydrophobicContact CG-CE2 4.05Å; Y798-Y830 AromaticContact CG-CZ 3.81Å; Y798-K833 HydrophobicContact CE2-CD 3.74Å; Y798-K833 VanDerWaalsContact CZ-NZ 3.28Å; Y798-K833 WeakPolarHBondContact OH-CE 3.06Å; Y798-K833 PolarHBondContact OH-NZ 3.11Å |
| 799 | Q | 82.9 | Confident | 86.5 | Confident | 110 Ų | 110 | 46.1 Ų | 46.1 | 51% | 0.514 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -33 | 171.8 | -72.4 | 179.1 | 11 | 0 | 0 | 112.8 | E795 N801 | E795-Q799 WeakPolarHBondContact O-CG 3.46Å; E795-Q799 PolarHBondContact O-N 3.42Å; Q799-N801 PolarHBondContact O-N 2.98Å |
| 800 | L | 83.2 | Confident | 86.6 | Confident | 49 Ų | 49 | 46 Ų | 46 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.7 | 174.8 | -80.6 | 170.1 | 0 | 0 | 0 | 114.1 | P768 I772 A796 Y797 Y798 Q802 | P768-L800 HydrophobicContact CB-CD1 3.95Å; P768-L800 HydrophobicContact CB-CG 4.08Å; P768-L800 HydrophobicContact CG-CD1 3.9Å; P768-L800 HydrophobicContact CG-CD2 3.82Å; P768-L800 HydrophobicContact CG-CG 3.66Å; I772-L800 HydrophobicContact CD1-CD1 3.61Å; A796-L800 PolarHBondContact O-N 2.67Å; Y797-L800 CarbonylContact O-C 3.57Å; Y797-L800 PolarHBondContact O-N 3.32Å; Y798-L800 VanDerWaalsContact C-N 3.26Å; Y798-L800 PolarHBondContact O-N 2.83Å; L800-Q802 HydrophobicContact CB-CG 4.09Å; L800-Q802 PolarHBondContact O-N 3.15Å; L800-Q802 VanDerWaalsContact O-N 3.14Å |
| 801 | N | 80.3 | Confident | 86.6 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 19.3 | -169.7 | -56.4 | -59.9 | 0 | 0 | 0 | 114.1 | Y797 Y798 Q799 F803 | Y797-N801 PolarHBondContact O-N 3.44Å; Y798-N801 PolarHBondContact O-N 3.13Å; Q799-N801 PolarHBondContact O-N 2.98Å; N801-F803 HydrophobicContact CB-CE2 3.86Å; N801-F803 HydrophobicContact CB-CZ 3.88Å; N801-F803 WeakPolarHBondContact O-CD2 3.18Å; N801-F803 PolarHBondContact O-N 3.04Å; N801-F803 WeakPolarHBondContact OD1-CZ 3.32Å |
| 802 | Q | 83.7 | Confident | 86.6 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | trans | -84.9 | 52.7 | 176.6 | -66.9 | -176.5 | 38.2 | 0 | 0 | 110.6 | Y797 L800 N804 K805 A806 | Y797-Q802 HydrophobicContact CD1-CB 4.15Å; Y797-Q802 PolarHBondContact O-N 3.17Å; L800-Q802 HydrophobicContact CB-CG 4.09Å; L800-Q802 PolarHBondContact O-N 3.15Å; L800-Q802 VanDerWaalsContact O-N 3.14Å; Q802-N804 VanDerWaalsContact C-N 3.26Å; Q802-N804 PolarHBondContact O-N 2.85Å; Q802-N804 VanDerWaalsContact O-N 3.12Å; Q802-K805 PolarHBondContact O-N 3.48Å; Q802-A806 PolarHBondContact O-N 3.42Å | ||
| 803 | F | 81.3 | Confident | 86.6 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.7 | -40.7 | -169.3 | -55.8 | -62.3 | 0 | 0 | 0 | 113.2 | Y798 N801 K805 A806 I807 K833 L834 | Y798-F803 AromaticContact CD2-CD1 3.92Å; Y798-F803 HydrophobicContact CD2-CD1 3.92Å; Y798-F803 AromaticContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CE2-CD1 4.46Å; Y798-F803 HydrophobicContact CE2-CE1 4.24Å; Y798-F803 HydrophobicContact CG-CE1 4.47Å; N801-F803 HydrophobicContact CB-CE2 3.86Å; N801-F803 HydrophobicContact CB-CZ 3.88Å; N801-F803 WeakPolarHBondContact O-CD2 3.18Å; N801-F803 PolarHBondContact O-N 3.04Å; N801-F803 WeakPolarHBondContact OD1-CZ 3.32Å; F803-K805 PolarHBondContact O-N 3.11Å; F803-A806 WeakPolarHBondContact O-CB 3.32Å; F803-A806 PolarHBondContact O-N 3.46Å; F803-A806 VanDerWaalsContact O-N 3.09Å; F803-I807 HydrophobicContact CB-CD1 4.44Å; F803-I807 WeakPolarHBondContact O-CB 3.38Å; F803-I807 WeakPolarHBondContact O-CD1 3.34Å; F803-I807 VanDerWaalsContact O-CG1 3.26Å; F803-I807 WeakPolarHBondContact O-CG1 3.39Å; F803-I807 PolarHBondContact O-N 3.34Å; F803-K833 HydrophobicContact CE1-CB 4.43Å; F803-K833 HydrophobicContact CE1-CD 3.83Å; F803-K833 HydrophobicContact CZ-CD 4.15Å; F803-L834 HydrophobicContact CB-CD1 4.2Å; F803-L834 HydrophobicContact CB-CD2 3.87Å; F803-L834 HydrophobicContact CB-CG 3.94Å; F803-L834 HydrophobicContact CD2-CD2 3.93Å; F803-L834 HydrophobicContact CG-CD2 4.27Å |
| 804 | N | 84.2 | Confident | 86.4 | Confident | 118 Ų | 118 | 52.3 Ų | 52.3 | 63% | 0.631 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55.9 | -35.6 | 178.8 | -59.5 | 13.8 | 0 | 0 | 0 | 113.3 | Q802 F808 L834 | Q802-N804 VanDerWaalsContact C-N 3.26Å; Q802-N804 PolarHBondContact O-N 2.85Å; Q802-N804 VanDerWaalsContact O-N 3.12Å; N804-F808 PolarHBondContact O-N 2.92Å; N804-L834 WeakPolarHBondContact OD1-CD1 3.48Å |
| 805 | K | 87 | Confident | 86.2 | Confident | 102 Ų | 102 | 60 Ų | 60 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -81.6 | -35.1 | 177.8 | -60.8 | -178.3 | -172.7 | 167.7 | 0 | 112 | Y797 Q802 F803 I807 F808 D809 | Y797-K805 HydrophobicContact CD1-CB 3.74Å; Y797-K805 HydrophobicContact CD1-CD 3.77Å; Y797-K805 HydrophobicContact CD1-CG 4.42Å; Y797-K805 HydrophobicContact CD2-CB 3.58Å; Y797-K805 HydrophobicContact CE1-CB 3.88Å; Y797-K805 HydrophobicContact CE1-CD 3.35Å; Y797-K805 HydrophobicContact CE1-CG 4.28Å; Y797-K805 HydrophobicContact CE2-CB 3.69Å; Y797-K805 HydrophobicContact CE2-CD 4.43Å; Y797-K805 HydrophobicContact CG-CB 3.62Å; Y797-K805 HydrophobicContact CG-CD 4.5Å; Q802-K805 PolarHBondContact O-N 3.48Å; F803-K805 PolarHBondContact O-N 3.11Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.49Å; K805-F808 PolarHBondContact O-N 3.09Å; K805-D809 PolarHBondContact O-N 3.33Å |
| 806 | A | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S794 Q802 F803 D809 I810 Y830 | S794-A806 WeakPolarHBondContact O-CB 3.4Å; Q802-A806 PolarHBondContact O-N 3.42Å; F803-A806 WeakPolarHBondContact O-CB 3.32Å; F803-A806 PolarHBondContact O-N 3.46Å; F803-A806 VanDerWaalsContact O-N 3.09Å; A806-D809 PolarHBondContact O-N 3.18Å; A806-I810 WeakPolarHBondContact O-CG1 3.28Å; A806-I810 PolarHBondContact O-N 3.24Å; A806-I810 VanDerWaalsContact O-N 3.1Å; A806-Y830 HydrophobicContact CB-CD2 3.63Å; A806-Y830 HydrophobicContact CB-CE2 3.69Å |
| 807 | I | 86.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.5 | -75.6 | 164.8 | 0 | 0 | 0 | 111 | F803 K805 D809 I810 Q811 F827 L831 L834 | F803-I807 HydrophobicContact CB-CD1 4.44Å; F803-I807 WeakPolarHBondContact O-CB 3.38Å; F803-I807 WeakPolarHBondContact O-CD1 3.34Å; F803-I807 VanDerWaalsContact O-CG1 3.26Å; F803-I807 WeakPolarHBondContact O-CG1 3.39Å; F803-I807 PolarHBondContact O-N 3.34Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.49Å; I807-D809 PolarHBondContact O-N 2.97Å; I807-I810 PolarHBondContact O-N 2.94Å; I807-Q811 WeakPolarHBondContact O-CG 3.27Å; I807-Q811 PolarHBondContact O-N 2.98Å; I807-F827 HydrophobicContact CB-CE2 4.35Å; I807-F827 HydrophobicContact CG2-CE2 3.63Å; I807-F827 HydrophobicContact CG2-CZ 4.33Å; I807-L831 HydrophobicContact CD1-CD2 3.98Å; I807-L831 HydrophobicContact CD1-CG 4.48Å; I807-L831 HydrophobicContact CG1-CD2 4.43Å; I807-L831 HydrophobicContact CG2-CD2 4.22Å; I807-L834 HydrophobicContact CD1-CD1 3.39Å; I807-L834 HydrophobicContact CD1-CG 4.18Å |
| 808 | F | 87.9 | Confident | 85.5 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 176.3 | -179.4 | -100.2 | 0 | 0 | 0 | 113.1 | N804 K805 Q811 R812 | N804-F808 PolarHBondContact O-N 2.92Å; K805-F808 PolarHBondContact O-N 3.09Å; F808-Q811 PolarHBondContact O-N 3.43Å; F808-R812 HydrophobicContact CE1-CG 4.49Å; F808-R812 PolarHBondContact O-N 2.99Å; F808-R812 VanDerWaalsContact O-N 3.14Å |
| 809 | D | 89.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.2 | -79.4 | -10.5 | 0 | 0 | 0 | 112.3 | R793 Y797 K805 A806 I807 R812 V813 | R793-D809 WeakPolarHBondContact CB-OD2 3.25Å; R793-D809 VanDerWaalsContact CG-OD2 3.29Å; R793-D809 WeakPolarHBondContact CG-OD2 3.15Å; R793-D809 IonicContact CZ-OD1 2.68Å; R793-D809 IonicContact CZ-OD2 3.66Å; R793-D809 IonicContact NE-OD1 3.35Å; R793-D809 PolarHBondContact NE-OD1 3.35Å; R793-D809 IonicContact NE-OD2 2.76Å; R793-D809 PolarHBondContact NE-OD2 3.14Å; R793-D809 IonicContact NH2-OD1 3.42Å; R793-D809 PolarHBondContact NH2-OD1 3.01Å; R793-D809 IonicContact NH2-OD2 3.63Å; Y797-D809 WeakPolarHBondContact CD2-OD2 3.47Å; Y797-D809 VanDerWaalsContact CE2-OD2 3.24Å; Y797-D809 WeakPolarHBondContact CE2-OD2 3.38Å; K805-D809 PolarHBondContact O-N 3.33Å; A806-D809 PolarHBondContact O-N 3.18Å; I807-D809 PolarHBondContact O-N 2.97Å; D809-R812 WeakPolarHBondContact O-CB 3.44Å; D809-R812 PolarHBondContact O-N 3.26Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.09Å |
| 810 | I | 89 | Confident | 84.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 174.4 | -64.5 | 169.7 | 0 | 0 | 0 | 111.5 | A806 I807 R812 V813 I814 L826 F827 Y830 | A806-I810 WeakPolarHBondContact O-CG1 3.28Å; A806-I810 PolarHBondContact O-N 3.24Å; A806-I810 VanDerWaalsContact O-N 3.1Å; I807-I810 PolarHBondContact O-N 2.94Å; I810-R812 PolarHBondContact O-N 3.1Å; I810-V813 PolarHBondContact O-N 3.42Å; I810-I814 HydrophobicContact CG2-CD1 3.98Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.23Å; I810-I814 PolarHBondContact O-N 3.13Å; I810-L826 HydrophobicContact CD1-CB 4.43Å; I810-L826 HydrophobicContact CD1-CD2 3.73Å; I810-L826 HydrophobicContact CD1-CG 3.74Å; I810-L826 HydrophobicContact CG1-CD2 4.17Å; I810-F827 HydrophobicContact CB-CD2 4.1Å; I810-F827 HydrophobicContact CG2-CB 3.62Å; I810-F827 HydrophobicContact CG2-CD2 3.84Å; I810-F827 HydrophobicContact CG2-CG 4.07Å; I810-Y830 HydrophobicContact CD1-CD1 4.24Å; I810-Y830 HydrophobicContact CD1-CD2 3.32Å; I810-Y830 HydrophobicContact CD1-CE1 4.34Å; I810-Y830 HydrophobicContact CD1-CE2 3.43Å; I810-Y830 VanDerWaalsContact CD1-CE2 3.43Å; I810-Y830 HydrophobicContact CD1-CG 3.76Å; I810-Y830 HydrophobicContact CG1-CE2 4.49Å |
| 811 | Q | 87.8 | Confident | 84.5 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | 171.8 | -73.5 | 173.2 | -45.4 | 0 | 0 | 111.8 | I807 F808 H815 F827 | I807-Q811 WeakPolarHBondContact O-CG 3.27Å; I807-Q811 PolarHBondContact O-N 2.98Å; F808-Q811 PolarHBondContact O-N 3.43Å; Q811-H815 WeakPolarHBondContact O-CB 3.22Å; Q811-H815 PolarHBondContact O-N 3.49Å; Q811-F827 HydrophobicContact CG-CD2 4.41Å; Q811-F827 HydrophobicContact CG-CE1 4.47Å; Q811-F827 HydrophobicContact CG-CE2 3.47Å; Q811-F827 VanDerWaalsContact CG-CE2 3.47Å; Q811-F827 HydrophobicContact CG-CZ 3.52Å |
| 812 | R | 88 | Confident | 84.4 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 172.6 | -68.8 | -177.9 | 63.1 | 166.1 | 0.5 | 112.5 | L790 F808 D809 I810 H815 L816 | L790-R812 HydrophobicContact CD1-CB 4.12Å; L790-R812 HydrophobicContact CD2-CB 4.31Å; F808-R812 HydrophobicContact CE1-CG 4.49Å; F808-R812 PolarHBondContact O-N 2.99Å; F808-R812 VanDerWaalsContact O-N 3.14Å; D809-R812 WeakPolarHBondContact O-CB 3.44Å; D809-R812 PolarHBondContact O-N 3.26Å; I810-R812 PolarHBondContact O-N 3.1Å; R812-H815 PolarHBondContact O-N 2.62Å; R812-L816 VanDerWaalsContact O-CD1 3.3Å; R812-L816 WeakPolarHBondContact O-CD1 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.11Å; R812-L816 PolarHBondContact O-N 3.05Å |
| 813 | V | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | I787 L790 L791 D809 I810 L816 S817 H823 | I787-V813 HydrophobicContact CG2-CG1 3.82Å; I787-V813 HydrophobicContact CG2-CG2 4.37Å; L790-V813 HydrophobicContact CB-CG2 3.49Å; L790-V813 VanDerWaalsContact CB-CG2 3.49Å; L790-V813 HydrophobicContact CD1-CG2 4.17Å; L790-V813 HydrophobicContact CG-CG2 4.45Å; L791-V813 HydrophobicContact CD2-CG1 4.22Å; L791-V813 HydrophobicContact CD2-CG2 4.15Å; L791-V813 HydrophobicContact CG-CG1 4.5Å; L791-V813 HydrophobicContact CG-CG2 4.17Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.09Å; I810-V813 PolarHBondContact O-N 3.42Å; V813-L816 PolarHBondContact O-N 2.99Å; V813-S817 PolarHBondContact O-N 3.33Å; V813-S817 PolarHBondContact O-OG 2.9Å; V813-H823 HydrophobicContact CG1-CB 4.19Å; V813-H823 VanDerWaalsContact CG1-CD2 3.5Å; V813-H823 WeakPolarHBondContact CG1-CD2 3.41Å; V813-H823 VanDerWaalsContact CG1-CE1 3.46Å; V813-H823 WeakPolarHBondContact CG1-CE1 3.46Å; V813-H823 VanDerWaalsContact CG1-CG 3.5Å; V813-H823 WeakPolarHBondContact CG1-ND1 3.48Å; V813-H823 WeakPolarHBondContact CG1-NE2 3.37Å |
| 814 | I | 86.9 | Confident | 84.5 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 174.3 | -71.8 | 170 | 0 | 0 | 0 | 110.6 | I810 L816 S817 P818 H823 Y824 F827 | I810-I814 HydrophobicContact CG2-CD1 3.98Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.23Å; I810-I814 PolarHBondContact O-N 3.13Å; I814-L816 VanDerWaalsContact C-N 3.26Å; I814-L816 PolarHBondContact O-N 2.8Å; I814-S817 CarbonylContact O-C 3.57Å; I814-S817 VanDerWaalsContact O-C 3.24Å; I814-S817 PolarHBondContact O-N 3.38Å; I814-S817 VanDerWaalsContact O-N 3.16Å; I814-P818 VanDerWaalsContact O-CA 3.3Å; I814-P818 WeakPolarHBondContact O-CA 3.44Å; I814-P818 WeakPolarHBondContact O-CD 3.31Å; I814-H823 HydrophobicContact CG1-CB 3.77Å; I814-Y824 HydrophobicContact CD1-CD1 3.99Å; I814-Y824 HydrophobicContact CD1-CE1 4.24Å; I814-Y824 HydrophobicContact CD1-CG 4.24Å; I814-Y824 HydrophobicContact CG1-CE2 4.49Å; I814-Y824 HydrophobicContact CG2-CD1 4.46Å; I814-Y824 HydrophobicContact CG2-CE1 3.67Å; I814-Y824 HydrophobicContact CG2-CE2 4.04Å; I814-Y824 VanDerWaalsContact CG2-CZ 3.44Å; I814-Y824 WeakPolarHBondContact CG2-OH 3.46Å; I814-F827 HydrophobicContact CD1-CB 3.86Å; I814-F827 HydrophobicContact CD1-CD1 3.93Å; I814-F827 HydrophobicContact CD1-CG 3.9Å |
| 815 | H | 86.1 | Confident | 84.3 | Confident | 161 Ų | 161 | 55.5 Ų | 55.5 | 75% | 0.745 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.1 | -31.5 | 177.6 | -170.7 | -46.1 | 0 | 0 | 0 | 113.1 | Q811 R812 | Q811-H815 WeakPolarHBondContact O-CB 3.22Å; Q811-H815 PolarHBondContact O-N 3.49Å; R812-H815 PolarHBondContact O-N 2.62Å |
| 816 | L | 85.9 | Confident | 84 | Confident | 63 Ų | 63 | 53 Ų | 53 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -83.1 | -18.9 | 178.1 | -67.3 | 159.3 | 0 | 0 | 0 | 113.2 | I784 P785 I787 L790 R812 V813 I814 | I784-L816 HydrophobicContact CG2-CD2 4.36Å; P785-L816 HydrophobicContact CG-CD1 3.82Å; P785-L816 HydrophobicContact CG-CD2 4.23Å; I787-L816 HydrophobicContact CG1-CB 4.37Å; L790-L816 HydrophobicContact CD1-CD1 3.34Å; R812-L816 VanDerWaalsContact O-CD1 3.3Å; R812-L816 WeakPolarHBondContact O-CD1 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.11Å; R812-L816 PolarHBondContact O-N 3.05Å; V813-L816 PolarHBondContact O-N 2.99Å; I814-L816 VanDerWaalsContact C-N 3.26Å; I814-L816 PolarHBondContact O-N 2.8Å |
| 817 | S | 83.1 | Confident | 83.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | trans | -150 | 63.6 | -175 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | V813 I814 H819 L820 H823 | V813-S817 PolarHBondContact O-N 3.33Å; V813-S817 PolarHBondContact O-OG 2.9Å; I814-S817 CarbonylContact O-C 3.57Å; I814-S817 VanDerWaalsContact O-C 3.24Å; I814-S817 PolarHBondContact O-N 3.38Å; I814-S817 VanDerWaalsContact O-N 3.16Å; S817-H819 PolarHBondContact O-N 3.26Å; S817-H819 VanDerWaalsContact O-N 3.11Å; S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 VanDerWaalsContact O-N 3.1Å; S817-H823 PolarHBondContact OG-CE1 3.05Å; S817-H823 PolarHBondContact OG-ND1 3.12Å; S817-H823 VanDerWaalsContact OG-ND1 3.08Å | ||
| 818 | P | 80.7 | Confident | 83.4 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.4 | -173.1 | 28 | -36.5 | 0 | 0 | 0 | 113.5 | I814 L850 | I814-P818 VanDerWaalsContact O-CA 3.3Å; I814-P818 WeakPolarHBondContact O-CA 3.44Å; I814-P818 WeakPolarHBondContact O-CD 3.31Å; P818-L850 WeakPolarHBondContact O-CD1 3.42Å |
| 819 | H | 78.2 | Confident | 82.9 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 75% | 0.75 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.9 | 177.2 | -50.5 | -62.5 | 0 | 0 | 0 | 113.7 | S817 E821 | S817-H819 PolarHBondContact O-N 3.26Å; S817-H819 VanDerWaalsContact O-N 3.11Å; H819-E821 PolarHBondContact O-N 3.42Å |
| 820 | L | 77.5 | Confident | 82.5 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | trans | -97.5 | 91.7 | -177.3 | -73.4 | 177.1 | 0 | 0 | 0 | 111.6 | S817 N822 H823 | S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 VanDerWaalsContact O-N 3.1Å; L820-N822 PolarHBondContact O-N 2.79Å; L820-N822 VanDerWaalsContact O-N 3.12Å; L820-H823 WeakPolarHBondContact CB-ND1 3.43Å; L820-H823 WeakPolarHBondContact O-CB 3.17Å; L820-H823 PolarHBondContact O-N 3.43Å; L820-H823 VanDerWaalsContact O-N 3.07Å | ||
| 821 | E | 75.1 | Confident | 82.1 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -48.1 | -37.1 | -179.5 | 71.3 | -151.1 | 149.3 | 0 | 0 | 114.7 | H819 H823 Y824 L825 Y847 L850 A851 Q858 | H819-E821 PolarHBondContact O-N 3.42Å; E821-H823 PolarHBondContact O-N 3.34Å; E821-H823 VanDerWaalsContact O-N 3.07Å; E821-Y824 WeakPolarHBondContact O-CB 3.4Å; E821-Y824 PolarHBondContact O-N 2.72Å; E821-L825 PolarHBondContact O-N 3.25Å; E821-Y847 HydrophobicContact CB-CD2 3.92Å; E821-Y847 HydrophobicContact CB-CE2 4.02Å; E821-Y847 HydrophobicContact CG-CD2 4.49Å; E821-Y847 HydrophobicContact CG-CE2 4.13Å; E821-L850 HydrophobicContact CB-CB 4.13Å; E821-A851 WeakPolarHBondContact OE2-CA 3.45Å; E821-Q858 PolarHBondContact OE1-NE2 3.19Å |
| 822 | N | 78.2 | Confident | 81.2 | Confident | 83 Ų | 83 | 52 Ų | 52 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.6 | -30.9 | 179.4 | -78.8 | -62.8 | 0 | 0 | 0 | 112.8 | L820 L825 L826 | L820-N822 PolarHBondContact O-N 2.79Å; L820-N822 VanDerWaalsContact O-N 3.12Å; N822-L825 PolarHBondContact O-N 3.29Å; N822-L826 PolarHBondContact O-N 3.3Å |
| 823 | H | 84.4 | Confident | 80.1 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 178.3 | -58.6 | 144.6 | 0 | 0 | 0 | 112.5 | V813 I814 S817 L820 E821 L826 F827 | V813-H823 HydrophobicContact CG1-CB 4.19Å; V813-H823 VanDerWaalsContact CG1-CD2 3.5Å; V813-H823 WeakPolarHBondContact CG1-CD2 3.41Å; V813-H823 VanDerWaalsContact CG1-CE1 3.46Å; V813-H823 WeakPolarHBondContact CG1-CE1 3.46Å; V813-H823 VanDerWaalsContact CG1-CG 3.5Å; V813-H823 WeakPolarHBondContact CG1-ND1 3.48Å; V813-H823 WeakPolarHBondContact CG1-NE2 3.37Å; I814-H823 HydrophobicContact CG1-CB 3.77Å; S817-H823 PolarHBondContact OG-CE1 3.05Å; S817-H823 PolarHBondContact OG-ND1 3.12Å; S817-H823 VanDerWaalsContact OG-ND1 3.08Å; L820-H823 WeakPolarHBondContact CB-ND1 3.43Å; L820-H823 WeakPolarHBondContact O-CB 3.17Å; L820-H823 PolarHBondContact O-N 3.43Å; L820-H823 VanDerWaalsContact O-N 3.07Å; E821-H823 PolarHBondContact O-N 3.34Å; E821-H823 VanDerWaalsContact O-N 3.07Å; H823-L826 PolarHBondContact O-N 3.3Å; H823-F827 VanDerWaalsContact O-CB 3.29Å; H823-F827 WeakPolarHBondContact O-CB 3.11Å; H823-F827 PolarHBondContact O-N 2.88Å |
| 824 | Y | 82.9 | Confident | 79.1 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 175 | -67 | -92.6 | 0 | 0 | 0 | 111.8 | I814 E821 F827 A828 Q846 L850 | I814-Y824 HydrophobicContact CD1-CD1 3.99Å; I814-Y824 HydrophobicContact CD1-CE1 4.24Å; I814-Y824 HydrophobicContact CD1-CG 4.24Å; I814-Y824 HydrophobicContact CG1-CE2 4.49Å; I814-Y824 HydrophobicContact CG2-CD1 4.46Å; I814-Y824 HydrophobicContact CG2-CE1 3.67Å; I814-Y824 HydrophobicContact CG2-CE2 4.04Å; I814-Y824 VanDerWaalsContact CG2-CZ 3.44Å; I814-Y824 WeakPolarHBondContact CG2-OH 3.46Å; E821-Y824 WeakPolarHBondContact O-CB 3.4Å; E821-Y824 PolarHBondContact O-N 2.72Å; Y824-F827 WeakPolarHBondContact O-CB 3.42Å; Y824-F827 PolarHBondContact O-N 2.96Å; Y824-A828 WeakPolarHBondContact O-CB 3.34Å; Y824-A828 PolarHBondContact O-N 3.06Å; Y824-Q846 HydrophobicContact CD1-CB 3.57Å; Y824-Q846 HydrophobicContact CE1-CB 3.63Å; Y824-Q846 HydrophobicContact CE1-CG 4.29Å; Y824-Q846 VanDerWaalsContact CE1-OE1 3.29Å; Y824-Q846 HydrophobicContact CG-CB 4.42Å; Y824-L850 HydrophobicContact CD2-CD1 3.74Å; Y824-L850 HydrophobicContact CE2-CD1 3.41Å; Y824-L850 VanDerWaalsContact CE2-CD1 3.41Å |
| 825 | L | 79.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 174.3 | -174.1 | 140.2 | 0 | 0 | 0 | 112.1 | E821 N822 F827 A828 N829 Y847 Q861 | E821-L825 PolarHBondContact O-N 3.25Å; N822-L825 PolarHBondContact O-N 3.29Å; L825-F827 VanDerWaalsContact C-N 3.32Å; L825-F827 PolarHBondContact O-N 2.76Å; L825-A828 PolarHBondContact O-N 2.81Å; L825-N829 WeakPolarHBondContact CD2-ND2 3.33Å; L825-N829 PolarHBondContact O-N 3.49Å; L825-N829 VanDerWaalsContact O-N 3.07Å; L825-N829 PolarHBondContact O-ND2 2.97Å; L825-Y847 HydrophobicContact CB-CD2 4.21Å; L825-Y847 HydrophobicContact CB-CE2 4.48Å; L825-Y847 HydrophobicContact CD1-CE1 4.44Å; L825-Y847 HydrophobicContact CD1-CE2 4.3Å; L825-Q861 HydrophobicContact CD1-CB 3.7Å; L825-Q861 HydrophobicContact CD1-CG 3.81Å |
| 826 | L | 81.2 | Confident | 77 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 171.1 | -168.9 | 70.5 | 0 | 0 | 0 | 111.4 | L791 I810 N822 H823 N829 Y830 | L791-L826 HydrophobicContact CD2-CD2 3.86Å; I810-L826 HydrophobicContact CD1-CB 4.43Å; I810-L826 HydrophobicContact CD1-CD2 3.73Å; I810-L826 HydrophobicContact CD1-CG 3.74Å; I810-L826 HydrophobicContact CG1-CD2 4.17Å; N822-L826 PolarHBondContact O-N 3.3Å; H823-L826 PolarHBondContact O-N 3.3Å; L826-N829 PolarHBondContact O-N 2.62Å; L826-Y830 HydrophobicContact CD1-CD1 4.37Å; L826-Y830 HydrophobicContact CD1-CE1 3.7Å; L826-Y830 HydrophobicContact CG-CD1 4.4Å; L826-Y830 HydrophobicContact CG-CE1 3.99Å; L826-Y830 VanDerWaalsContact O-CD1 3.29Å; L826-Y830 WeakPolarHBondContact O-CD1 3.45Å; L826-Y830 PolarHBondContact O-N 2.89Å; L826-Y830 VanDerWaalsContact O-N 3.08Å |
| 827 | F | 84.6 | Confident | 76.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.2 | -169.7 | -132.4 | 0 | 0 | 0 | 112.3 | I807 I810 Q811 I814 H823 Y824 L825 N829 Y830 L831 | I807-F827 HydrophobicContact CB-CE2 4.35Å; I807-F827 HydrophobicContact CG2-CE2 3.63Å; I807-F827 HydrophobicContact CG2-CZ 4.33Å; I810-F827 HydrophobicContact CB-CD2 4.1Å; I810-F827 HydrophobicContact CG2-CB 3.62Å; I810-F827 HydrophobicContact CG2-CD2 3.84Å; I810-F827 HydrophobicContact CG2-CG 4.07Å; Q811-F827 HydrophobicContact CG-CD2 4.41Å; Q811-F827 HydrophobicContact CG-CE1 4.47Å; Q811-F827 HydrophobicContact CG-CE2 3.47Å; Q811-F827 VanDerWaalsContact CG-CE2 3.47Å; Q811-F827 HydrophobicContact CG-CZ 3.52Å; I814-F827 HydrophobicContact CD1-CB 3.86Å; I814-F827 HydrophobicContact CD1-CD1 3.93Å; I814-F827 HydrophobicContact CD1-CG 3.9Å; H823-F827 VanDerWaalsContact O-CB 3.29Å; H823-F827 WeakPolarHBondContact O-CB 3.11Å; H823-F827 PolarHBondContact O-N 2.88Å; Y824-F827 WeakPolarHBondContact O-CB 3.42Å; Y824-F827 PolarHBondContact O-N 2.96Å; L825-F827 VanDerWaalsContact C-N 3.32Å; L825-F827 PolarHBondContact O-N 2.76Å; F827-N829 VanDerWaalsContact C-N 3.34Å; F827-N829 PolarHBondContact O-N 3.25Å; F827-Y830 PolarHBondContact O-N 3Å; F827-Y830 VanDerWaalsContact O-N 3.17Å; F827-L831 HydrophobicContact CD1-CD1 3.76Å; F827-L831 HydrophobicContact CD2-CD1 4.28Å; F827-L831 HydrophobicContact CD2-CG 4.45Å; F827-L831 HydrophobicContact CE1-CD1 3.56Å; F827-L831 HydrophobicContact CE2-CD1 4.13Å; F827-L831 HydrophobicContact CE2-CG 4.28Å; F827-L831 HydrophobicContact CG-CD1 4.09Å; F827-L831 HydrophobicContact CZ-CD1 3.74Å; F827-L831 HydrophobicContact CZ-CD2 4.47Å; F827-L831 HydrophobicContact CZ-CG 4.3Å; F827-L831 WeakPolarHBondContact O-CB 3.45Å; F827-L831 WeakPolarHBondContact O-CG 3.34Å; F827-L831 PolarHBondContact O-N 3.2Å |
| 828 | A | 78.1 | Confident | 75.8 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y824 L825 Y830 L831 H832 S843 I844 | Y824-A828 WeakPolarHBondContact O-CB 3.34Å; Y824-A828 PolarHBondContact O-N 3.06Å; L825-A828 PolarHBondContact O-N 2.81Å; A828-Y830 VanDerWaalsContact C-N 3.31Å; A828-Y830 PolarHBondContact O-N 3.37Å; A828-L831 PolarHBondContact O-N 3.09Å; A828-H832 VanDerWaalsContact O-CB 3.3Å; A828-H832 WeakPolarHBondContact O-CB 3.46Å; A828-H832 PolarHBondContact O-N 3.41Å; A828-S843 WeakPolarHBondContact CA-OG 3.15Å; A828-S843 WeakPolarHBondContact CB-OG 3.48Å; A828-I844 HydrophobicContact CB-CD1 3.97Å; A828-I844 HydrophobicContact CB-CG1 3.57Å |
| 829 | N | 77.3 | Confident | 75.5 | Confident | 68 Ų | 68 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 177 | -77.6 | -47.2 | 0 | 0 | 0 | 113.1 | L825 L826 F827 | L825-N829 WeakPolarHBondContact CD2-ND2 3.33Å; L825-N829 PolarHBondContact O-N 3.49Å; L825-N829 VanDerWaalsContact O-N 3.07Å; L825-N829 PolarHBondContact O-ND2 2.97Å; L826-N829 PolarHBondContact O-N 2.62Å; F827-N829 VanDerWaalsContact C-N 3.34Å; F827-N829 PolarHBondContact O-N 3.25Å |
| 830 | Y | 81.2 | Confident | 75.4 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -76.2 | -40.3 | 178.3 | -78.9 | 33.9 | 0 | 0 | 0 | 111.4 | Y798 A806 I810 L826 F827 A828 H832 K833 | Y798-Y830 AromaticContact CD2-CD1 3.77Å; Y798-Y830 HydrophobicContact CD2-CD1 3.77Å; Y798-Y830 AromaticContact CD2-CD2 3.86Å; Y798-Y830 HydrophobicContact CD2-CD2 3.86Å; Y798-Y830 AromaticContact CD2-CE1 3.62Å; Y798-Y830 HydrophobicContact CD2-CE1 3.62Å; Y798-Y830 AromaticContact CD2-CE2 3.72Å; Y798-Y830 HydrophobicContact CD2-CE2 3.72Å; Y798-Y830 AromaticContact CD2-CG 3.9Å; Y798-Y830 HydrophobicContact CD2-CG 3.9Å; Y798-Y830 AromaticContact CD2-CZ 3.6Å; Y798-Y830 AromaticContact CE2-CD1 3.61Å; Y798-Y830 HydrophobicContact CE2-CD1 3.61Å; Y798-Y830 AromaticContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CG 4.09Å; Y798-Y830 HydrophobicContact CG-CE1 4.18Å; Y798-Y830 HydrophobicContact CG-CE2 4.05Å; Y798-Y830 AromaticContact CG-CZ 3.81Å; A806-Y830 HydrophobicContact CB-CD2 3.63Å; A806-Y830 HydrophobicContact CB-CE2 3.69Å; I810-Y830 HydrophobicContact CD1-CD1 4.24Å; I810-Y830 HydrophobicContact CD1-CD2 3.32Å; I810-Y830 HydrophobicContact CD1-CE1 4.34Å; I810-Y830 HydrophobicContact CD1-CE2 3.43Å; I810-Y830 VanDerWaalsContact CD1-CE2 3.43Å; I810-Y830 HydrophobicContact CD1-CG 3.76Å; I810-Y830 HydrophobicContact CG1-CE2 4.49Å; L826-Y830 HydrophobicContact CD1-CD1 4.37Å; L826-Y830 HydrophobicContact CD1-CE1 3.7Å; L826-Y830 HydrophobicContact CG-CD1 4.4Å; L826-Y830 HydrophobicContact CG-CE1 3.99Å; L826-Y830 VanDerWaalsContact O-CD1 3.29Å; L826-Y830 WeakPolarHBondContact O-CD1 3.45Å; L826-Y830 PolarHBondContact O-N 2.89Å; L826-Y830 VanDerWaalsContact O-N 3.08Å; F827-Y830 PolarHBondContact O-N 3Å; F827-Y830 VanDerWaalsContact O-N 3.17Å; A828-Y830 VanDerWaalsContact C-N 3.31Å; A828-Y830 PolarHBondContact O-N 3.37Å; Y830-H832 VanDerWaalsContact C-N 3.34Å; Y830-K833 PolarHBondContact O-N 2.64Å |
| 831 | L | 79.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | 173.5 | -73.7 | 166.9 | 0 | 0 | 0 | 112.3 | I807 F827 A828 K833 L834 L839 V840 | I807-L831 HydrophobicContact CD1-CD2 3.98Å; I807-L831 HydrophobicContact CD1-CG 4.48Å; I807-L831 HydrophobicContact CG1-CD2 4.43Å; I807-L831 HydrophobicContact CG2-CD2 4.22Å; F827-L831 HydrophobicContact CD1-CD1 3.76Å; F827-L831 HydrophobicContact CD2-CD1 4.28Å; F827-L831 HydrophobicContact CD2-CG 4.45Å; F827-L831 HydrophobicContact CE1-CD1 3.56Å; F827-L831 HydrophobicContact CE2-CD1 4.13Å; F827-L831 HydrophobicContact CE2-CG 4.28Å; F827-L831 HydrophobicContact CG-CD1 4.09Å; F827-L831 HydrophobicContact CZ-CD1 3.74Å; F827-L831 HydrophobicContact CZ-CD2 4.47Å; F827-L831 HydrophobicContact CZ-CG 4.3Å; F827-L831 WeakPolarHBondContact O-CB 3.45Å; F827-L831 WeakPolarHBondContact O-CG 3.34Å; F827-L831 PolarHBondContact O-N 3.2Å; A828-L831 PolarHBondContact O-N 3.09Å; L831-K833 PolarHBondContact O-N 3.32Å; L831-L834 PolarHBondContact O-N 2.69Å; L831-L839 HydrophobicContact CD1-CB 3.89Å; L831-L839 HydrophobicContact CD2-CB 3.88Å; L831-L839 HydrophobicContact CD2-CD1 3.94Å; L831-L839 HydrophobicContact CG-CB 4.43Å; L831-V840 HydrophobicContact CB-CG2 3.58Å |
| 832 | H | 69.3 | Low | 75.6 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -30.5 | 178.3 | -175.5 | -83.3 | 0 | 0 | 0 | 112.1 | A828 Y830 L834 A835 V840 Y868 | A828-H832 VanDerWaalsContact O-CB 3.3Å; A828-H832 WeakPolarHBondContact O-CB 3.46Å; A828-H832 PolarHBondContact O-N 3.41Å; Y830-H832 VanDerWaalsContact C-N 3.34Å; H832-L834 VanDerWaalsContact C-N 3.28Å; H832-L834 PolarHBondContact O-N 3.44Å; H832-A835 PolarHBondContact O-N 3.37Å; H832-A835 VanDerWaalsContact O-N 3.14Å; H832-V840 HydrophobicContact CB-CG2 3.93Å; H832-V840 VanDerWaalsContact N-CG2 3.32Å; H832-Y868 AromaticContact CD2-CD1 3.96Å; H832-Y868 AromaticContact CD2-CE1 3.52Å; H832-Y868 AromaticContact NE2-CE1 3.46Å; H832-Y868 WeakPolarHBondContact NE2-CE1 3.04Å |
| 833 | K | 65.4 | Low | 75.6 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.1 | 172.6 | -79.7 | -160.9 | 173 | 178.4 | 0 | 114.7 | Y798 F803 Y830 L831 A835 | Y798-K833 HydrophobicContact CE2-CD 3.74Å; Y798-K833 VanDerWaalsContact CZ-NZ 3.28Å; Y798-K833 WeakPolarHBondContact OH-CE 3.06Å; Y798-K833 PolarHBondContact OH-NZ 3.11Å; F803-K833 HydrophobicContact CE1-CB 4.43Å; F803-K833 HydrophobicContact CE1-CD 3.83Å; F803-K833 HydrophobicContact CZ-CD 4.15Å; Y830-K833 PolarHBondContact O-N 2.64Å; L831-K833 PolarHBondContact O-N 3.32Å; K833-A835 VanDerWaalsContact C-N 3.34Å |
| 834 | L | 65.7 | Low | 75.4 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 38% | 0.382 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 3.9 | 171.2 | -71.3 | -177.1 | 0 | 0 | 0 | 113.4 | F803 N804 I807 L831 H832 N836 | F803-L834 HydrophobicContact CB-CD1 4.2Å; F803-L834 HydrophobicContact CB-CD2 3.87Å; F803-L834 HydrophobicContact CB-CG 3.94Å; F803-L834 HydrophobicContact CD2-CD2 3.93Å; F803-L834 HydrophobicContact CG-CD2 4.27Å; N804-L834 WeakPolarHBondContact OD1-CD1 3.48Å; I807-L834 HydrophobicContact CD1-CD1 3.39Å; I807-L834 HydrophobicContact CD1-CG 4.18Å; L831-L834 PolarHBondContact O-N 2.69Å; H832-L834 VanDerWaalsContact C-N 3.28Å; H832-L834 PolarHBondContact O-N 3.44Å; L834-N836 PolarHBondContact O-N 2.86Å |
| 835 | A | 61.4 | Low | 75.3 | Confident | 82 Ų | 82 | 57 Ų | 57 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 17.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | H832 K833 T837 | H832-A835 PolarHBondContact O-N 3.37Å; H832-A835 VanDerWaalsContact O-N 3.14Å; K833-A835 VanDerWaalsContact C-N 3.34Å; A835-T837 VanDerWaalsContact C-N 3.35Å; A835-T837 PolarHBondContact O-N 3.5Å |
| 836 | N | 68.4 | Low | 75.3 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | trans | -82.3 | 80.7 | 178.1 | -170.3 | -28.5 | 0 | 0 | 0 | 110.4 | L834 Q838 L839 V840 | L834-N836 PolarHBondContact O-N 2.86Å; N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.92Å; N836-L839 WeakPolarHBondContact ND2-CD1 3.37Å; N836-L839 PolarHBondContact O-N 2.97Å; N836-L839 PolarHBondContact OD1-N 3.44Å; N836-V840 WeakPolarHBondContact O-CG2 3.48Å; N836-V840 PolarHBondContact O-N 2.95Å; N836-V840 VanDerWaalsContact O-N 3.16Å | ||
| 837 | T | 69.6 | Low | 75.4 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | -174.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | A835 V840 Q841 | A835-T837 VanDerWaalsContact C-N 3.35Å; A835-T837 PolarHBondContact O-N 3.5Å; T837-V840 PolarHBondContact O-N 3.42Å; T837-Q841 WeakPolarHBondContact O-CG 3.49Å; T837-Q841 PolarHBondContact O-N 2.97Å |
| 838 | Q | 74.9 | Confident | 75 | Confident | 151 Ų | 151 | 55.4 Ų | 55.4 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | -178.2 | -67.4 | 179.9 | -15.7 | 0 | 0 | 112.4 | N836 Q841 H842 | N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.92Å; Q838-Q841 PolarHBondContact O-N 3.37Å; Q838-H842 PolarHBondContact O-N 2.87Å; Q838-H842 VanDerWaalsContact O-N 3.09Å |
| 839 | L | 73.8 | Confident | 75.1 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 45% | 0.445 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.1 | -36 | 178 | -66.9 | -175.1 | 0 | 0 | 0 | 112.2 | L831 N836 Q841 H842 S843 | L831-L839 HydrophobicContact CD1-CB 3.89Å; L831-L839 HydrophobicContact CD2-CB 3.88Å; L831-L839 HydrophobicContact CD2-CD1 3.94Å; L831-L839 HydrophobicContact CG-CB 4.43Å; N836-L839 WeakPolarHBondContact ND2-CD1 3.37Å; N836-L839 PolarHBondContact O-N 2.97Å; N836-L839 PolarHBondContact OD1-N 3.44Å; L839-Q841 VanDerWaalsContact C-N 3.32Å; L839-Q841 PolarHBondContact O-N 3Å; L839-H842 PolarHBondContact O-N 3.28Å; L839-S843 PolarHBondContact O-N 2.88Å; L839-S843 PolarHBondContact O-OG 3.47Å |
| 840 | V | 75 | Confident | 75.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | L831 H832 N836 T837 H842 S843 I844 | L831-V840 HydrophobicContact CB-CG2 3.58Å; H832-V840 HydrophobicContact CB-CG2 3.93Å; H832-V840 VanDerWaalsContact N-CG2 3.32Å; N836-V840 WeakPolarHBondContact O-CG2 3.48Å; N836-V840 PolarHBondContact O-N 2.95Å; N836-V840 VanDerWaalsContact O-N 3.16Å; T837-V840 PolarHBondContact O-N 3.42Å; V840-H842 PolarHBondContact O-N 3.44Å; V840-S843 PolarHBondContact O-N 3.18Å; V840-S843 PolarHBondContact O-OG 3.29Å; V840-S843 VanDerWaalsContact O-OG 3.05Å; V840-I844 HydrophobicContact CG1-CD1 3.6Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 VanDerWaalsContact O-CB 3.31Å; V840-I844 WeakPolarHBondContact O-CB 3.15Å; V840-I844 WeakPolarHBondContact O-CG1 3.11Å; V840-I844 PolarHBondContact O-N 3.21Å |
| 841 | Q | 77.8 | Confident | 74.6 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | -180 | -71.8 | 178.8 | -19.6 | 0 | 0 | 112.1 | T837 Q838 L839 I844 Q845 Y868 L869 | T837-Q841 WeakPolarHBondContact O-CG 3.49Å; T837-Q841 PolarHBondContact O-N 2.97Å; Q838-Q841 PolarHBondContact O-N 3.37Å; L839-Q841 VanDerWaalsContact C-N 3.32Å; L839-Q841 PolarHBondContact O-N 3Å; Q841-I844 PolarHBondContact O-N 2.91Å; Q841-Q845 VanDerWaalsContact O-CG 3.31Å; Q841-Q845 WeakPolarHBondContact O-CG 3.49Å; Q841-Q845 PolarHBondContact O-N 3.11Å; Q841-Y868 PolarHBondContact NE2-O 3.42Å; Q841-L869 HydrophobicContact CB-CD2 3.77Å; Q841-L869 HydrophobicContact CG-CD2 3.99Å; Q841-L869 WeakPolarHBondContact O-CD2 3.25Å |
| 842 | H | 79.9 | Confident | 73.9 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 178 | -167.8 | 57.7 | 0 | 0 | 0 | 113.2 | Q838 L839 V840 I844 Q845 Q846 | Q838-H842 PolarHBondContact O-N 2.87Å; Q838-H842 VanDerWaalsContact O-N 3.09Å; L839-H842 PolarHBondContact O-N 3.28Å; V840-H842 PolarHBondContact O-N 3.44Å; H842-I844 PolarHBondContact O-N 2.54Å; H842-Q845 PolarHBondContact O-N 3.44Å; H842-Q846 PolarHBondContact NE2-NE2 3.5Å; H842-Q846 VanDerWaalsContact NE2-NE2 3.12Å; H842-Q846 WeakPolarHBondContact O-CG 3.32Å; H842-Q846 PolarHBondContact O-N 3.09Å; H842-Q846 VanDerWaalsContact O-N 3.14Å |
| 843 | S | 77.9 | Confident | 73.5 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -30.8 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | A828 L839 V840 Y847 | A828-S843 WeakPolarHBondContact CA-OG 3.15Å; A828-S843 WeakPolarHBondContact CB-OG 3.48Å; L839-S843 PolarHBondContact O-N 2.88Å; L839-S843 PolarHBondContact O-OG 3.47Å; V840-S843 PolarHBondContact O-N 3.18Å; V840-S843 PolarHBondContact O-OG 3.29Å; V840-S843 VanDerWaalsContact O-OG 3.05Å; S843-Y847 PolarHBondContact O-N 3.25Å |
| 844 | I | 79.7 | Confident | 73.3 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.7 | -35.5 | 176.8 | -71.9 | 178.9 | 0 | 0 | 0 | 112.5 | A828 V840 Q841 H842 Q846 Y847 L848 A865 Y868 L869 | A828-I844 HydrophobicContact CB-CD1 3.97Å; A828-I844 HydrophobicContact CB-CG1 3.57Å; V840-I844 HydrophobicContact CG1-CD1 3.6Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 VanDerWaalsContact O-CB 3.31Å; V840-I844 WeakPolarHBondContact O-CB 3.15Å; V840-I844 WeakPolarHBondContact O-CG1 3.11Å; V840-I844 PolarHBondContact O-N 3.21Å; Q841-I844 PolarHBondContact O-N 2.91Å; H842-I844 PolarHBondContact O-N 2.54Å; I844-Q846 VanDerWaalsContact C-N 3.29Å; I844-Q846 PolarHBondContact O-N 3.42Å; I844-Y847 PolarHBondContact O-N 3.07Å; I844-L848 HydrophobicContact CG2-CD1 4.37Å; I844-L848 WeakPolarHBondContact O-CG 3.34Å; I844-L848 PolarHBondContact O-N 2.91Å; I844-A865 VanDerWaalsContact CG2-CA 3.47Å; I844-A865 HydrophobicContact CG2-CB 3.33Å; I844-A865 WeakPolarHBondContact CG2-O 3.08Å; I844-Y868 VanDerWaalsContact CD1-CB 3.42Å; I844-Y868 HydrophobicContact CD1-CD2 3.7Å; I844-Y868 HydrophobicContact CD1-CG 3.85Å; I844-L869 HydrophobicContact CB-CD2 4.09Å; I844-L869 HydrophobicContact CG2-CD1 4.15Å; I844-L869 HydrophobicContact CG2-CD2 3.86Å; I844-L869 HydrophobicContact CG2-CG 3.76Å |
| 845 | Q | 80.8 | Confident | 73.1 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 170.2 | -73.2 | 164.2 | -0.2 | 0 | 0 | 111.3 | Q841 H842 L848 S849 L869 | Q841-Q845 VanDerWaalsContact O-CG 3.31Å; Q841-Q845 WeakPolarHBondContact O-CG 3.49Å; Q841-Q845 PolarHBondContact O-N 3.11Å; H842-Q845 PolarHBondContact O-N 3.44Å; Q845-L848 PolarHBondContact O-N 3.36Å; Q845-S849 PolarHBondContact O-N 3.08Å; Q845-S849 VanDerWaalsContact O-N 3.1Å; Q845-L869 HydrophobicContact CG-CD1 4.03Å; Q845-L869 HydrophobicContact CG-CD2 3.93Å |
| 846 | Q | 80.8 | Confident | 73 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.7 | -68.4 | 172.2 | -20.8 | 0 | 0 | 111.8 | Y824 H842 I844 L848 S849 L850 | Y824-Q846 HydrophobicContact CD1-CB 3.57Å; Y824-Q846 HydrophobicContact CE1-CB 3.63Å; Y824-Q846 HydrophobicContact CE1-CG 4.29Å; Y824-Q846 VanDerWaalsContact CE1-OE1 3.29Å; Y824-Q846 HydrophobicContact CG-CB 4.42Å; H842-Q846 PolarHBondContact NE2-NE2 3.5Å; H842-Q846 VanDerWaalsContact NE2-NE2 3.12Å; H842-Q846 WeakPolarHBondContact O-CG 3.32Å; H842-Q846 PolarHBondContact O-N 3.09Å; H842-Q846 VanDerWaalsContact O-N 3.14Å; I844-Q846 VanDerWaalsContact C-N 3.29Å; I844-Q846 PolarHBondContact O-N 3.42Å; Q846-L848 PolarHBondContact O-N 3.21Å; Q846-S849 PolarHBondContact O-N 3.47Å; Q846-S849 PolarHBondContact O-OG 2.77Å; Q846-L850 PolarHBondContact O-N 2.88Å |
| 847 | Y | 82 | Confident | 72.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.1 | -52 | 172.8 | 165 | -105.2 | 0 | 0 | 0 | 112 | E821 L825 S843 I844 S849 L850 A851 Q858 Q861 M862 A865 | E821-Y847 HydrophobicContact CB-CD2 3.92Å; E821-Y847 HydrophobicContact CB-CE2 4.02Å; E821-Y847 HydrophobicContact CG-CD2 4.49Å; E821-Y847 HydrophobicContact CG-CE2 4.13Å; L825-Y847 HydrophobicContact CB-CD2 4.21Å; L825-Y847 HydrophobicContact CB-CE2 4.48Å; L825-Y847 HydrophobicContact CD1-CE1 4.44Å; L825-Y847 HydrophobicContact CD1-CE2 4.3Å; S843-Y847 PolarHBondContact O-N 3.25Å; I844-Y847 PolarHBondContact O-N 3.07Å; Y847-S849 VanDerWaalsContact C-N 3.32Å; Y847-S849 PolarHBondContact O-N 3.18Å; Y847-L850 PolarHBondContact O-N 3.28Å; Y847-L850 VanDerWaalsContact O-N 3.14Å; Y847-A851 HydrophobicContact CE1-CB 4.38Å; Y847-A851 HydrophobicContact CE2-CB 4.06Å; Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3Å; Y847-Q858 WeakPolarHBondContact OH-CB 3.4Å; Y847-Q858 PolarHBondContact OH-OE1 3.37Å; Y847-Q861 HydrophobicContact CE1-CB 4.32Å; Y847-Q861 WeakPolarHBondContact OH-CB 3.49Å; Y847-Q861 PolarHBondContact OH-OE1 3.48Å; Y847-M862 HydrophobicContact CE1-CG 4.45Å; Y847-A865 HydrophobicContact CD1-CB 3.93Å; Y847-A865 HydrophobicContact CE1-CB 4.04Å |
| 848 | L | 76.6 | Confident | 72.6 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 179.8 | -72.9 | 169 | 0 | 0 | 0 | 112.2 | I844 Q845 Q846 L850 A851 E852 M862 A865 Y866 L869 | I844-L848 HydrophobicContact CG2-CD1 4.37Å; I844-L848 WeakPolarHBondContact O-CG 3.34Å; I844-L848 PolarHBondContact O-N 2.91Å; Q845-L848 PolarHBondContact O-N 3.36Å; Q846-L848 PolarHBondContact O-N 3.21Å; L848-L850 PolarHBondContact O-N 3.12Å; L848-L850 VanDerWaalsContact O-N 3.15Å; L848-A851 PolarHBondContact O-N 3.07Å; L848-E852 WeakPolarHBondContact O-CG 3.38Å; L848-E852 PolarHBondContact O-N 3.15Å; L848-M862 HydrophobicContact CD2-CB 4.09Å; L848-M862 HydrophobicContact CD2-CE 4.03Å; L848-M862 HydrophobicContact CD2-CG 4.09Å; L848-A865 HydrophobicContact CD1-CB 4.14Å; L848-A865 HydrophobicContact CD2-CB 3.86Å; L848-A865 HydrophobicContact CG-CB 3.95Å; L848-Y866 HydrophobicContact CD1-CD1 3.8Å; L848-Y866 HydrophobicContact CD1-CE1 3.53Å; L848-Y866 HydrophobicContact CD1-CG 4.42Å; L848-Y866 HydrophobicContact CD2-CD2 4.34Å; L848-Y866 HydrophobicContact CD2-CE1 4.22Å; L848-Y866 HydrophobicContact CD2-CE2 3.79Å; L848-Y866 HydrophobicContact CG-CE1 4.49Å; L848-L869 HydrophobicContact CD1-CD1 3.59Å |
| 849 | S | 79.8 | Confident | 72.5 | Confident | 80 Ų | 80 | 62 Ų | 62 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.8 | -16.3 | 180 | 70.3 | 0 | 0 | 0 | 0 | 114.9 | Q845 Q846 Y847 | Q845-S849 PolarHBondContact O-N 3.08Å; Q845-S849 VanDerWaalsContact O-N 3.1Å; Q846-S849 PolarHBondContact O-N 3.47Å; Q846-S849 PolarHBondContact O-OG 2.77Å; Y847-S849 VanDerWaalsContact C-N 3.32Å; Y847-S849 PolarHBondContact O-N 3.18Å |
| 850 | L | 78.2 | Confident | 72.4 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -95.7 | -45.4 | 173 | -63.4 | 169.6 | 0 | 0 | 0 | 110.9 | P818 E821 Y824 Q846 Y847 L848 E852 S853 | P818-L850 WeakPolarHBondContact O-CD1 3.42Å; E821-L850 HydrophobicContact CB-CB 4.13Å; Y824-L850 HydrophobicContact CD2-CD1 3.74Å; Y824-L850 HydrophobicContact CE2-CD1 3.41Å; Y824-L850 VanDerWaalsContact CE2-CD1 3.41Å; Q846-L850 PolarHBondContact O-N 2.88Å; Y847-L850 PolarHBondContact O-N 3.28Å; Y847-L850 VanDerWaalsContact O-N 3.14Å; L848-L850 PolarHBondContact O-N 3.12Å; L848-L850 VanDerWaalsContact O-N 3.15Å; L850-E852 PolarHBondContact O-N 3.28Å; L850-E852 VanDerWaalsContact O-N 3.15Å; L850-S853 PolarHBondContact O-N 3.49Å; L850-S853 PolarHBondContact O-OG 3.13Å |
| 851 | A | 70.4 | Confident | 72.3 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -15.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | E821 Y847 L848 S853 E854 K855 M862 | E821-A851 WeakPolarHBondContact OE2-CA 3.45Å; Y847-A851 HydrophobicContact CE1-CB 4.38Å; Y847-A851 HydrophobicContact CE2-CB 4.06Å; Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3Å; L848-A851 PolarHBondContact O-N 3.07Å; A851-S853 PolarHBondContact O-N 3.22Å; A851-E854 PolarHBondContact O-N 2.97Å; A851-K855 PolarHBondContact O-N 3.4Å; A851-M862 HydrophobicContact CB-CG 4.41Å |
| 852 | E | 64.3 | Low | 72.2 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -18.1 | 170.7 | -82.5 | -160.7 | -133.5 | 0 | 0 | 114.2 | L848 L850 K855 | L848-E852 WeakPolarHBondContact O-CG 3.38Å; L848-E852 PolarHBondContact O-N 3.15Å; L850-E852 PolarHBondContact O-N 3.28Å; L850-E852 VanDerWaalsContact O-N 3.15Å; E852-K855 WeakPolarHBondContact O-CE 3.45Å; E852-K855 WeakPolarHBondContact O-CG 3.5Å; E852-K855 IonicContact OE2-NZ 3.62Å; E852-K855 PolarHBondContact OE2-NZ 3.09Å |
| 853 | S | 61.3 | Low | 72 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -31.1 | 173.2 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | L850 A851 | L850-S853 PolarHBondContact O-N 3.49Å; L850-S853 PolarHBondContact O-OG 3.13Å; A851-S853 PolarHBondContact O-N 3.22Å |
| 854 | E | 62 | Low | 71.8 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -126.8 | 37 | -174.1 | -62.6 | -145.4 | 131.9 | 0 | 0 | 113.3 | A851 H856 K857 | A851-E854 PolarHBondContact O-N 2.97Å; E854-H856 PolarHBondContact O-N 3.17Å; E854-K857 PolarHBondContact O-N 3.41Å; E854-K857 WeakPolarHBondContact OE1-CE 3.46Å; E854-K857 IonicContact OE1-NZ 2.82Å; E854-K857 PolarHBondContact OE1-NZ 3.07Å; E854-K857 WeakPolarHBondContact OE2-CD 3.42Å; E854-K857 VanDerWaalsContact OE2-CE 3.27Å; E854-K857 WeakPolarHBondContact OE2-CE 3.19Å; E854-K857 IonicContact OE2-NZ 3.55Å; E854-K857 PolarHBondContact OE2-NZ 3.16Å |
| 855 | K | 60.2 | Low | 71.6 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.4 | -39.6 | -174.6 | -63.4 | -177.8 | 179 | -179.1 | 0 | 115.1 | A851 E852 K857 V859 M862 | A851-K855 PolarHBondContact O-N 3.4Å; E852-K855 WeakPolarHBondContact O-CE 3.45Å; E852-K855 WeakPolarHBondContact O-CG 3.5Å; E852-K855 IonicContact OE2-NZ 3.62Å; E852-K855 PolarHBondContact OE2-NZ 3.09Å; K855-K857 PolarHBondContact O-N 3.38Å; K855-V859 WeakPolarHBondContact O-CG2 3.34Å; K855-M862 HydrophobicContact CB-SD 4.45Å; K855-M862 HydrophobicContact CG-CE 4.39Å; K855-M862 HydrophobicContact CG-SD 4.45Å |
| 856 | H | 59.1 | Low | 71.6 | Confident | 183 Ų | 183 | 57.1 Ų | 57.1 | 85% | 0.847 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.5 | -178.7 | -61.8 | -61.1 | 0 | 0 | 0 | 115.4 | E854 | E854-H856 PolarHBondContact O-N 3.17Š|
| 857 | K | 60.8 | Low | 71.5 | Confident | 145 Ų | 145 | 56.6 Ų | 56.6 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -21.8 | -177.4 | -62.4 | -170.3 | -157 | 159.3 | 0 | 113.8 | E854 K855 | E854-K857 PolarHBondContact O-N 3.41Å; E854-K857 WeakPolarHBondContact OE1-CE 3.46Å; E854-K857 IonicContact OE1-NZ 2.82Å; E854-K857 PolarHBondContact OE1-NZ 3.07Å; E854-K857 WeakPolarHBondContact OE2-CD 3.42Å; E854-K857 VanDerWaalsContact OE2-CE 3.27Å; E854-K857 WeakPolarHBondContact OE2-CE 3.19Å; E854-K857 IonicContact OE2-NZ 3.55Å; E854-K857 PolarHBondContact OE2-NZ 3.16Å; K855-K857 PolarHBondContact O-N 3.38Å |
| 858 | Q | 69.4 | Low | 71 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | trans | -126.8 | 22.3 | -165.6 | -61.2 | -169.3 | 14 | 0 | 0 | 114.7 | E821 Y847 E860 Q861 M862 | E821-Q858 PolarHBondContact OE1-NE2 3.19Å; Y847-Q858 WeakPolarHBondContact OH-CB 3.4Å; Y847-Q858 PolarHBondContact OH-OE1 3.37Å; Q858-E860 VanDerWaalsContact C-N 3.27Å; Q858-E860 PolarHBondContact O-N 3.07Å; Q858-E860 VanDerWaalsContact O-N 3.12Å; Q858-Q861 HydrophobicContact CB-CB 4.38Å; Q858-Q861 WeakPolarHBondContact O-CA 3.47Å; Q858-Q861 WeakPolarHBondContact O-CB 3.47Å; Q858-Q861 PolarHBondContact O-N 3.06Å; Q858-M862 PolarHBondContact O-N 3.08Å | ||
| 859 | V | 72.7 | Confident | 71 | Confident | 15 Ų | 15 | 60 Ų | 60 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -48.2 | -43.5 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 113.5 | K855 Q861 M862 A863 V878 L879 D882 | K855-V859 WeakPolarHBondContact O-CG2 3.34Å; V859-Q861 PolarHBondContact O-N 3.01Å; V859-M862 PolarHBondContact O-N 3.31Å; V859-A863 VanDerWaalsContact O-CB 3.29Å; V859-A863 WeakPolarHBondContact O-CB 3.5Å; V859-A863 PolarHBondContact O-N 3.44Å; V859-V878 HydrophobicContact CG1-CG1 3.76Å; V859-V878 WeakPolarHBondContact CG1-O 3.45Å; V859-L879 HydrophobicContact CG1-CD2 4.27Å; V859-D882 HydrophobicContact CB-CB 4.36Å; V859-D882 WeakPolarHBondContact CB-OD2 3.42Å; V859-D882 HydrophobicContact CG1-CB 3.72Å; V859-D882 VanDerWaalsContact CG1-OD2 3.27Å; V859-D882 WeakPolarHBondContact CG1-OD2 3.49Å; V859-D882 HydrophobicContact CG2-CB 4.17Å |
| 860 | E | 73.1 | Confident | 70.8 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.8 | -65.5 | -167.8 | 178.4 | 0 | 0 | 112.6 | Q858 L864 K891 | Q858-E860 VanDerWaalsContact C-N 3.27Å; Q858-E860 PolarHBondContact O-N 3.07Å; Q858-E860 VanDerWaalsContact O-N 3.12Å; E860-L864 WeakPolarHBondContact O-CB 3.49Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.49Å; E860-L864 PolarHBondContact O-N 2.77Å; E860-K891 HydrophobicContact CG-CD 4.33Å; E860-K891 HydrophobicContact CG-CG 3.81Å; E860-K891 WeakPolarHBondContact OE1-CE 3.22Å; E860-K891 VanDerWaalsContact OE1-CG 3.26Å; E860-K891 WeakPolarHBondContact OE1-CG 3.43Å |
| 861 | Q | 71.7 | Confident | 71 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 179.5 | -64.6 | -178.3 | 2.1 | 0 | 0 | 111.3 | L825 Y847 Q858 V859 L864 A865 | L825-Q861 HydrophobicContact CD1-CB 3.7Å; L825-Q861 HydrophobicContact CD1-CG 3.81Å; Y847-Q861 HydrophobicContact CE1-CB 4.32Å; Y847-Q861 WeakPolarHBondContact OH-CB 3.49Å; Y847-Q861 PolarHBondContact OH-OE1 3.48Å; Q858-Q861 HydrophobicContact CB-CB 4.38Å; Q858-Q861 WeakPolarHBondContact O-CA 3.47Å; Q858-Q861 WeakPolarHBondContact O-CB 3.47Å; Q858-Q861 PolarHBondContact O-N 3.06Å; V859-Q861 PolarHBondContact O-N 3.01Å; Q861-L864 PolarHBondContact O-N 3.16Å; Q861-A865 VanDerWaalsContact O-CB 3.23Å; Q861-A865 WeakPolarHBondContact O-CB 3.18Å; Q861-A865 PolarHBondContact O-N 2.66Å |
| 862 | M | 74.9 | Confident | 71.7 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 171.5 | -66.5 | -174.6 | 77.1 | 0 | 0 | 111.8 | Y847 L848 A851 K855 Q858 V859 A865 Y866 V878 | Y847-M862 HydrophobicContact CE1-CG 4.45Å; L848-M862 HydrophobicContact CD2-CB 4.09Å; L848-M862 HydrophobicContact CD2-CE 4.03Å; L848-M862 HydrophobicContact CD2-CG 4.09Å; A851-M862 HydrophobicContact CB-CG 4.41Å; K855-M862 HydrophobicContact CB-SD 4.45Å; K855-M862 HydrophobicContact CG-CE 4.39Å; K855-M862 HydrophobicContact CG-SD 4.45Å; Q858-M862 PolarHBondContact O-N 3.08Å; V859-M862 PolarHBondContact O-N 3.31Å; M862-A865 VanDerWaalsContact O-CB 3.29Å; M862-A865 WeakPolarHBondContact O-CB 3.49Å; M862-A865 PolarHBondContact O-N 3.31Å; M862-Y866 HydrophobicContact CB-CE2 4.28Å; M862-Y866 HydrophobicContact CE-CE2 4.3Å; M862-Y866 WeakPolarHBondContact O-CD2 3.47Å; M862-Y866 PolarHBondContact O-N 2.9Å; M862-V878 HydrophobicContact CB-CG1 4.17Å |
| 863 | A | 76 | Confident | 72.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V859 A865 Y866 Y867 L879 L894 | V859-A863 VanDerWaalsContact O-CB 3.29Å; V859-A863 WeakPolarHBondContact O-CB 3.5Å; V859-A863 PolarHBondContact O-N 3.44Å; A863-A865 VanDerWaalsContact C-N 3.34Å; A863-Y866 PolarHBondContact O-N 3.11Å; A863-Y867 WeakPolarHBondContact O-CB 3.16Å; A863-Y867 PolarHBondContact O-N 3.22Å; A863-L879 HydrophobicContact CB-CD1 3.86Å; A863-L879 HydrophobicContact CB-CD2 3.63Å; A863-L879 HydrophobicContact CB-CG 3.54Å; A863-L894 HydrophobicContact CB-CD2 3.67Å |
| 864 | L | 75.1 | Confident | 73.7 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 37% | 0.366 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 170.5 | -75.3 | 167 | 0 | 0 | 0 | 111.4 | E860 Q861 Y867 Y868 L894 | E860-L864 WeakPolarHBondContact O-CB 3.49Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.49Å; E860-L864 PolarHBondContact O-N 2.77Å; Q861-L864 PolarHBondContact O-N 3.16Å; L864-Y867 WeakPolarHBondContact O-CB 3.42Å; L864-Y867 PolarHBondContact O-N 3.05Å; L864-Y868 HydrophobicContact CB-CE2 4.45Å; L864-Y868 WeakPolarHBondContact O-CD2 3.31Å; L864-Y868 PolarHBondContact O-N 3.08Å; L864-L894 HydrophobicContact CD2-CD1 3.75Å; L864-L894 HydrophobicContact CD2-CD2 4.12Å; L864-L894 HydrophobicContact CG-CD1 4.43Å; L864-L894 HydrophobicContact CG-CD2 3.9Å |
| 865 | A | 74.4 | Confident | 74.7 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.5 | -57 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I844 Y847 L848 Q861 M862 A863 Y867 Y868 L869 | I844-A865 VanDerWaalsContact CG2-CA 3.47Å; I844-A865 HydrophobicContact CG2-CB 3.33Å; I844-A865 WeakPolarHBondContact CG2-O 3.08Å; Y847-A865 HydrophobicContact CD1-CB 3.93Å; Y847-A865 HydrophobicContact CE1-CB 4.04Å; L848-A865 HydrophobicContact CD1-CB 4.14Å; L848-A865 HydrophobicContact CD2-CB 3.86Å; L848-A865 HydrophobicContact CG-CB 3.95Å; Q861-A865 VanDerWaalsContact O-CB 3.23Å; Q861-A865 WeakPolarHBondContact O-CB 3.18Å; Q861-A865 PolarHBondContact O-N 2.66Å; M862-A865 VanDerWaalsContact O-CB 3.29Å; M862-A865 WeakPolarHBondContact O-CB 3.49Å; M862-A865 PolarHBondContact O-N 3.31Å; A863-A865 VanDerWaalsContact C-N 3.34Å; A865-Y867 VanDerWaalsContact C-N 3.26Å; A865-Y867 PolarHBondContact O-N 2.79Å; A865-Y868 PolarHBondContact O-N 3.2Å; A865-Y868 VanDerWaalsContact O-N 3.1Å; A865-L869 WeakPolarHBondContact O-CG 3.2Å; A865-L869 PolarHBondContact O-N 3.14Å |
| 866 | Y | 80.5 | Confident | 75.9 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -34.2 | 177.3 | -68.3 | -62.1 | 0 | 0 | 0 | 112.9 | L848 M862 A863 L869 N870 R871 E874 V878 | L848-Y866 HydrophobicContact CD1-CD1 3.8Å; L848-Y866 HydrophobicContact CD1-CE1 3.53Å; L848-Y866 HydrophobicContact CD1-CG 4.42Å; L848-Y866 HydrophobicContact CD2-CD2 4.34Å; L848-Y866 HydrophobicContact CD2-CE1 4.22Å; L848-Y866 HydrophobicContact CD2-CE2 3.79Å; L848-Y866 HydrophobicContact CG-CE1 4.49Å; M862-Y866 HydrophobicContact CB-CE2 4.28Å; M862-Y866 HydrophobicContact CE-CE2 4.3Å; M862-Y866 WeakPolarHBondContact O-CD2 3.47Å; M862-Y866 PolarHBondContact O-N 2.9Å; A863-Y866 PolarHBondContact O-N 3.11Å; Y866-L869 HydrophobicContact CD1-CD1 4.47Å; Y866-L869 PolarHBondContact O-N 2.9Å; Y866-N870 PolarHBondContact O-N 2.78Å; Y866-R871 HydrophobicContact CD1-CB 4.3Å; Y866-R871 PolarHBondContact O-N 2.9Å; Y866-E874 HydrophobicContact CD1-CB 3.52Å; Y866-E874 HydrophobicContact CD1-CG 4.43Å; Y866-E874 VanDerWaalsContact CD1-OE2 3.25Å; Y866-E874 WeakPolarHBondContact CD1-OE2 3.29Å; Y866-E874 HydrophobicContact CD2-CB 4.28Å; Y866-E874 HydrophobicContact CE1-CB 3.79Å; Y866-E874 HydrophobicContact CE1-CG 4.42Å; Y866-E874 WeakPolarHBondContact CE1-OE2 3.42Å; Y866-E874 HydrophobicContact CG-CB 3.81Å; Y866-V878 HydrophobicContact CD2-CG2 4.42Å; Y866-V878 HydrophobicContact CE2-CG2 3.93Å |
| 867 | Y | 78.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 172.7 | 176.1 | -89.8 | 0 | 0 | 0 | 112.3 | A863 L864 A865 L869 N870 Y872 L897 I898 K901 | A863-Y867 WeakPolarHBondContact O-CB 3.16Å; A863-Y867 PolarHBondContact O-N 3.22Å; L864-Y867 WeakPolarHBondContact O-CB 3.42Å; L864-Y867 PolarHBondContact O-N 3.05Å; A865-Y867 VanDerWaalsContact C-N 3.26Å; A865-Y867 PolarHBondContact O-N 2.79Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 3.12Å; Y867-N870 PolarHBondContact O-N 3.46Å; Y867-N870 VanDerWaalsContact O-N 3.09Å; Y867-Y872 HydrophobicContact CD2-CD1 4.09Å; Y867-Y872 AromaticContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CE2-CE1 4.25Å; Y867-Y872 HydrophobicContact CG-CE1 4.42Å; Y867-Y872 WeakPolarHBondContact O-CE1 3.43Å; Y867-L897 HydrophobicContact CE2-CB 4.42Å; Y867-I898 HydrophobicContact CD2-CG1 3.88Å; Y867-K901 HydrophobicContact CE2-CG 3.89Å |
| 868 | Y | 72.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 28% | 0.275 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.7 | -25.4 | 175 | -71.2 | -59.5 | 0 | 0 | 0 | 113.8 | H832 Q841 I844 L864 A865 N870 | H832-Y868 AromaticContact CD2-CD1 3.96Å; H832-Y868 AromaticContact CD2-CE1 3.52Å; H832-Y868 AromaticContact NE2-CE1 3.46Å; H832-Y868 WeakPolarHBondContact NE2-CE1 3.04Å; Q841-Y868 PolarHBondContact NE2-O 3.42Å; I844-Y868 VanDerWaalsContact CD1-CB 3.42Å; I844-Y868 HydrophobicContact CD1-CD2 3.7Å; I844-Y868 HydrophobicContact CD1-CG 3.85Å; L864-Y868 HydrophobicContact CB-CE2 4.45Å; L864-Y868 WeakPolarHBondContact O-CD2 3.31Å; L864-Y868 PolarHBondContact O-N 3.08Å; A865-Y868 PolarHBondContact O-N 3.2Å; A865-Y868 VanDerWaalsContact O-N 3.1Å; Y868-N870 PolarHBondContact O-N 2.69Å |
| 869 | L | 76.4 | Confident | 78.6 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -0.4 | 170.5 | -62.3 | -174.8 | 0 | 0 | 0 | 113.8 | Q841 I844 Q845 L848 A865 Y866 Y867 R871 | Q841-L869 HydrophobicContact CB-CD2 3.77Å; Q841-L869 HydrophobicContact CG-CD2 3.99Å; Q841-L869 WeakPolarHBondContact O-CD2 3.25Å; I844-L869 HydrophobicContact CB-CD2 4.09Å; I844-L869 HydrophobicContact CG2-CD1 4.15Å; I844-L869 HydrophobicContact CG2-CD2 3.86Å; I844-L869 HydrophobicContact CG2-CG 3.76Å; Q845-L869 HydrophobicContact CG-CD1 4.03Å; Q845-L869 HydrophobicContact CG-CD2 3.93Å; L848-L869 HydrophobicContact CD1-CD1 3.59Å; A865-L869 WeakPolarHBondContact O-CG 3.2Å; A865-L869 PolarHBondContact O-N 3.14Å; Y866-L869 HydrophobicContact CD1-CD1 4.47Å; Y866-L869 PolarHBondContact O-N 2.9Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 3.12Å; L869-R871 HydrophobicContact CB-CB 4.21Å; L869-R871 HydrophobicContact CB-CG 3.79Å; L869-R871 PolarHBondContact O-N 3.45Å; L869-R871 VanDerWaalsContact O-N 3.13Å |
| 870 | N | 75.3 | Confident | 79 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 16.2 | -167.1 | -57.7 | -21.3 | 0 | 0 | 0 | 113.9 | Y866 Y867 Y868 Y872 | Y866-N870 PolarHBondContact O-N 2.78Å; Y867-N870 PolarHBondContact O-N 3.46Å; Y867-N870 VanDerWaalsContact O-N 3.09Å; Y868-N870 PolarHBondContact O-N 2.69Å; N870-Y872 HydrophobicContact CB-CE1 4.44Å; N870-Y872 HydrophobicContact CB-CE2 4.15Å; N870-Y872 WeakPolarHBondContact O-CD2 2.97Å; N870-Y872 PolarHBondContact O-N 3.08Å; N870-Y872 PolarHBondContact OD1-OH 3.41Å |
| 871 | R | 82.8 | Confident | 79.2 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 42% | 0.415 | 25% | 0.249 | S | C | . | . | trans | -88 | 56.9 | 179.8 | -64.7 | -166.4 | -173.4 | -174.4 | -0.4 | 110.7 | Y866 L869 K873 E874 A875 | Y866-R871 HydrophobicContact CD1-CB 4.3Å; Y866-R871 PolarHBondContact O-N 2.9Å; L869-R871 HydrophobicContact CB-CB 4.21Å; L869-R871 HydrophobicContact CB-CG 3.79Å; L869-R871 PolarHBondContact O-N 3.45Å; L869-R871 VanDerWaalsContact O-N 3.13Å; R871-K873 PolarHBondContact O-N 2.95Å; R871-E874 HydrophobicContact CB-CB 4.29Å; R871-E874 VanDerWaalsContact CD-CD 3.44Å; R871-E874 WeakPolarHBondContact CD-OE1 3.45Å; R871-E874 WeakPolarHBondContact CD-OE2 3.32Å; R871-E874 IonicContact CZ-OE2 2.76Å; R871-E874 IonicContact NE-OE2 3.42Å; R871-E874 IonicContact NH1-OE1 3.35Å; R871-E874 PolarHBondContact NH1-OE1 2.96Å; R871-E874 IonicContact NH1-OE2 2.67Å; R871-E874 PolarHBondContact NH1-OE2 3.29Å; R871-E874 PolarHBondContact O-N 3.23Å; R871-A875 PolarHBondContact O-N 2.94Å; R871-A875 VanDerWaalsContact O-N 3.17Å | ||
| 872 | Y | 84.3 | Confident | 79.4 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -27.4 | -170.8 | -51.9 | -50.9 | 0 | 0 | 0 | 113.7 | Y867 N870 E876 I898 K901 Q902 | Y867-Y872 HydrophobicContact CD2-CD1 4.09Å; Y867-Y872 AromaticContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CE2-CE1 4.25Å; Y867-Y872 HydrophobicContact CG-CE1 4.42Å; Y867-Y872 WeakPolarHBondContact O-CE1 3.43Å; N870-Y872 HydrophobicContact CB-CE1 4.44Å; N870-Y872 HydrophobicContact CB-CE2 4.15Å; N870-Y872 WeakPolarHBondContact O-CD2 2.97Å; N870-Y872 PolarHBondContact O-N 3.08Å; N870-Y872 PolarHBondContact OD1-OH 3.41Å; Y872-E876 VanDerWaalsContact O-CB 3.28Å; Y872-E876 WeakPolarHBondContact O-CB 3.33Å; Y872-E876 PolarHBondContact O-N 3.37Å; Y872-I898 WeakPolarHBondContact O-CG2 3.34Å; Y872-K901 HydrophobicContact CD1-CB 4.01Å; Y872-K901 HydrophobicContact CD2-CB 3.92Å; Y872-K901 HydrophobicContact CE1-CB 3.81Å; Y872-K901 HydrophobicContact CE1-CG 4.23Å; Y872-K901 HydrophobicContact CE2-CB 3.71Å; Y872-K901 HydrophobicContact CG-CB 4.08Å; Y872-Q902 VanDerWaalsContact C-NE2 3.32Å; Y872-Q902 HydrophobicContact CD2-CG 4.42Å; Y872-Q902 HydrophobicContact CG-CG 4.37Å; Y872-Q902 PolarHBondContact O-NE2 3.42Å; Y872-Q902 VanDerWaalsContact O-NE2 3.12Å |
| 873 | K | 84.7 | Confident | 79.4 | Confident | 151 Ų | 151 | 53.1 Ų | 53.1 | 66% | 0.657 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -70.4 | -37.2 | 175 | -66.5 | -178 | 178.4 | 179.7 | 0 | 113.5 | R871 E876 I877 | R871-K873 PolarHBondContact O-N 2.95Å; K873-E876 PolarHBondContact O-N 3.07Å; K873-I877 WeakPolarHBondContact O-CD1 3.49Å; K873-I877 WeakPolarHBondContact O-CG1 3.24Å; K873-I877 PolarHBondContact O-N 3.35Å; K873-I877 VanDerWaalsContact O-N 3.16Å |
| 874 | E | 83.1 | Confident | 79.2 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71 | -39.4 | 176.1 | -69.9 | 166.2 | -150.2 | 0 | 0 | 109.9 | Y866 R871 E876 I877 V878 | Y866-E874 HydrophobicContact CD1-CB 3.52Å; Y866-E874 HydrophobicContact CD1-CG 4.43Å; Y866-E874 VanDerWaalsContact CD1-OE2 3.25Å; Y866-E874 WeakPolarHBondContact CD1-OE2 3.29Å; Y866-E874 HydrophobicContact CD2-CB 4.28Å; Y866-E874 HydrophobicContact CE1-CB 3.79Å; Y866-E874 HydrophobicContact CE1-CG 4.42Å; Y866-E874 WeakPolarHBondContact CE1-OE2 3.42Å; Y866-E874 HydrophobicContact CG-CB 3.81Å; R871-E874 HydrophobicContact CB-CB 4.29Å; R871-E874 VanDerWaalsContact CD-CD 3.44Å; R871-E874 WeakPolarHBondContact CD-OE1 3.45Å; R871-E874 WeakPolarHBondContact CD-OE2 3.32Å; R871-E874 IonicContact CZ-OE2 2.76Å; R871-E874 IonicContact NE-OE2 3.42Å; R871-E874 IonicContact NH1-OE1 3.35Å; R871-E874 PolarHBondContact NH1-OE1 2.96Å; R871-E874 IonicContact NH1-OE2 2.67Å; R871-E874 PolarHBondContact NH1-OE2 3.29Å; R871-E874 PolarHBondContact O-N 3.23Å; E874-E876 PolarHBondContact O-N 3.32Å; E874-I877 PolarHBondContact O-N 3.47Å; E874-V878 WeakPolarHBondContact O-CG2 3.45Å; E874-V878 PolarHBondContact O-N 3.03Å; E874-V878 VanDerWaalsContact O-N 3.14Å |
| 875 | A | 82.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R871 L879 I898 | R871-A875 PolarHBondContact O-N 2.94Å; R871-A875 VanDerWaalsContact O-N 3.17Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å; A875-L879 PolarHBondContact O-N 3.02Å; A875-I898 HydrophobicContact CB-CD1 3.44Å; A875-I898 VanDerWaalsContact CB-CD1 3.44Å; A875-I898 HydrophobicContact CB-CG1 3.91Å; A875-I898 HydrophobicContact CB-CG2 4.19Å |
| 876 | E | 85.4 | Confident | 78.5 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.8 | 174.8 | 175.8 | -157.5 | 0 | 0 | 111.5 | Y872 K873 E874 L880 L895 I898 L899 Q902 K904 | Y872-E876 VanDerWaalsContact O-CB 3.28Å; Y872-E876 WeakPolarHBondContact O-CB 3.33Å; Y872-E876 PolarHBondContact O-N 3.37Å; K873-E876 PolarHBondContact O-N 3.07Å; E874-E876 PolarHBondContact O-N 3.32Å; E876-L880 HydrophobicContact CG-CD1 3.71Å; E876-L880 HydrophobicContact CG-CG 4.48Å; E876-L880 VanDerWaalsContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CB 3.33Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 3.02Å; E876-L895 HydrophobicContact CB-CD1 4.27Å; E876-L895 HydrophobicContact CG-CD1 4.17Å; E876-I898 HydrophobicContact CB-CG2 4.03Å; E876-L899 WeakPolarHBondContact OE1-CD2 3.19Å; E876-Q902 PolarHBondContact OE2-NE2 2.89Å; E876-Q902 PolarHBondContact OE2-OE1 2.96Å; E876-K904 IonicContact OE1-NZ 3.63Å; E876-K904 PolarHBondContact OE1-NZ 3.29Å; E876-K904 IonicContact OE2-NZ 2.66Å; E876-K904 PolarHBondContact OE2-NZ 3.29Å |
| 877 | I | 83.7 | Confident | 77.8 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 179.2 | -67.7 | 162.9 | 0 | 0 | 0 | 111.1 | K873 E874 L879 L880 E881 | K873-I877 WeakPolarHBondContact O-CD1 3.49Å; K873-I877 WeakPolarHBondContact O-CG1 3.24Å; K873-I877 PolarHBondContact O-N 3.35Å; K873-I877 VanDerWaalsContact O-N 3.16Å; E874-I877 PolarHBondContact O-N 3.47Å; I877-L879 VanDerWaalsContact C-N 3.32Å; I877-L879 PolarHBondContact O-N 2.89Å; I877-L880 PolarHBondContact O-N 3.11Å; I877-L880 VanDerWaalsContact O-N 3.09Å; I877-E881 PolarHBondContact O-N 3.16Å; I877-E881 VanDerWaalsContact O-N 3.1Å |
| 878 | V | 82.1 | Confident | 77.6 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | -175.3 | 165.8 | 0 | 0 | 0 | 0 | 112.3 | V859 M862 Y866 E874 | V859-V878 HydrophobicContact CG1-CG1 3.76Å; V859-V878 WeakPolarHBondContact CG1-O 3.45Å; M862-V878 HydrophobicContact CB-CG1 4.17Å; Y866-V878 HydrophobicContact CD2-CG2 4.42Å; Y866-V878 HydrophobicContact CE2-CG2 3.93Å; E874-V878 WeakPolarHBondContact O-CG2 3.45Å; E874-V878 PolarHBondContact O-N 3.03Å; E874-V878 VanDerWaalsContact O-N 3.14Å |
| 879 | L | 81.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74 | -37.9 | 172 | -71 | 175.5 | 0 | 0 | 0 | 113.1 | V859 A863 A875 I877 E881 D882 L883 K891 L894 L895 I898 | V859-L879 HydrophobicContact CG1-CD2 4.27Å; A863-L879 HydrophobicContact CB-CD1 3.86Å; A863-L879 HydrophobicContact CB-CD2 3.63Å; A863-L879 HydrophobicContact CB-CG 3.54Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å; A875-L879 PolarHBondContact O-N 3.02Å; I877-L879 VanDerWaalsContact C-N 3.32Å; I877-L879 PolarHBondContact O-N 2.89Å; L879-E881 VanDerWaalsContact C-N 3.26Å; L879-E881 PolarHBondContact O-N 3.48Å; L879-D882 PolarHBondContact O-N 2.87Å; L879-L883 HydrophobicContact CB-CD1 4.2Å; L879-L883 WeakPolarHBondContact O-CB 3.4Å; L879-L883 WeakPolarHBondContact O-CG 3.13Å; L879-L883 PolarHBondContact O-N 3.2Å; L879-K891 HydrophobicContact CD2-CB 4.2Å; L879-K891 HydrophobicContact CD2-CG 4.46Å; L879-L894 HydrophobicContact CD1-CB 4.15Å; L879-L894 HydrophobicContact CD1-CD2 4.12Å; L879-L894 HydrophobicContact CD1-CG 3.92Å; L879-L894 HydrophobicContact CD2-CD2 4.48Å; L879-L895 HydrophobicContact CB-CB 4.44Å; L879-L895 HydrophobicContact CB-CD1 4.38Å; L879-L895 HydrophobicContact CB-CD2 4.45Å; L879-L895 HydrophobicContact CD1-CB 3.8Å; L879-L895 HydrophobicContact CD1-CD1 4.37Å; L879-I898 HydrophobicContact CD1-CD1 3.47Å; L879-I898 VanDerWaalsContact CD1-CD1 3.47Å |
| 880 | L | 81.5 | Confident | 77.8 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.2 | -19.6 | -178.9 | -78.5 | 173.6 | 0 | 0 | 0 | 113.8 | E876 I877 K884 L895 | E876-L880 HydrophobicContact CG-CD1 3.71Å; E876-L880 HydrophobicContact CG-CG 4.48Å; E876-L880 VanDerWaalsContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CB 3.33Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 3.02Å; I877-L880 PolarHBondContact O-N 3.11Å; I877-L880 VanDerWaalsContact O-N 3.09Å; L880-K884 WeakPolarHBondContact O-CD 3.42Å; L880-K884 WeakPolarHBondContact O-CE 3.05Å; L880-K884 VanDerWaalsContact O-CG 3.25Å; L880-K884 WeakPolarHBondContact O-CG 3.42Å; L880-K884 PolarHBondContact O-NZ 3.21Å; L880-L895 HydrophobicContact CD2-CD2 3.68Å; L880-L895 HydrophobicContact CG-CD2 3.99Å |
| 881 | E | 75.8 | Confident | 78.1 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.7 | -50.8 | 171.5 | -70.8 | -178.7 | 170.1 | 0 | 0 | 111.4 | I877 L879 K884 H885 | I877-E881 PolarHBondContact O-N 3.16Å; I877-E881 VanDerWaalsContact O-N 3.1Å; L879-E881 VanDerWaalsContact C-N 3.26Å; L879-E881 PolarHBondContact O-N 3.48Å; E881-K884 WeakPolarHBondContact O-CB 3.34Å; E881-K884 PolarHBondContact O-N 2.73Å; E881-H885 PolarHBondContact O-CD2 3.04Å; E881-H885 VanDerWaalsContact O-CD2 3.31Å |
| 882 | D | 76.7 | Confident | 78 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.6 | -39.9 | -178.6 | 179.6 | 23.6 | 0 | 0 | 0 | 113.1 | V859 L879 K884 H885 Q886 K891 | V859-D882 HydrophobicContact CB-CB 4.36Å; V859-D882 WeakPolarHBondContact CB-OD2 3.42Å; V859-D882 HydrophobicContact CG1-CB 3.72Å; V859-D882 VanDerWaalsContact CG1-OD2 3.27Å; V859-D882 WeakPolarHBondContact CG1-OD2 3.49Å; V859-D882 HydrophobicContact CG2-CB 4.17Å; L879-D882 PolarHBondContact O-N 2.87Å; D882-K884 PolarHBondContact O-N 3.12Å; D882-H885 PolarHBondContact O-N 2.95Å; D882-Q886 PolarHBondContact O-N 3.46Å; D882-K891 VanDerWaalsContact CG-NZ 3.27Å; D882-K891 IonicContact OD1-NZ 2.66Å; D882-K891 PolarHBondContact OD1-NZ 3.05Å; D882-K891 VanDerWaalsContact OD1-NZ 3.13Å; D882-K891 WeakPolarHBondContact OD2-CD 3.49Å; D882-K891 WeakPolarHBondContact OD2-CE 3.38Å; D882-K891 IonicContact OD2-NZ 2.72Å; D882-K891 PolarHBondContact OD2-NZ 3.15Å |
| 883 | L | 75 | Confident | 78 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.8 | 177.3 | -75.7 | 171.4 | 0 | 0 | 0 | 114.1 | L879 H885 P887 K891 T892 L895 | L879-L883 HydrophobicContact CB-CD1 4.2Å; L879-L883 WeakPolarHBondContact O-CB 3.4Å; L879-L883 WeakPolarHBondContact O-CG 3.13Å; L879-L883 PolarHBondContact O-N 3.2Å; L883-H885 VanDerWaalsContact C-N 3.28Å; L883-P887 HydrophobicContact CD2-CB 4.47Å; L883-K891 HydrophobicContact CD1-CB 4.49Å; L883-K891 HydrophobicContact CD2-CB 3.56Å; L883-K891 HydrophobicContact CG-CB 4.12Å; L883-T892 HydrophobicContact CD1-CG2 4.4Å; L883-T892 HydrophobicContact CD2-CG2 3.64Å; L883-L895 HydrophobicContact CD1-CB 4.24Å; L883-L895 HydrophobicContact CD1-CD2 3.52Å |
| 884 | K | 72 | Confident | 77.9 | Confident | 159 Ų | 159 | 58.3 Ų | 58.3 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.8 | 170.5 | -70.4 | 159.4 | -172.9 | 157 | 0 | 112.3 | L880 E881 D882 | L880-K884 WeakPolarHBondContact O-CD 3.42Å; L880-K884 WeakPolarHBondContact O-CE 3.05Å; L880-K884 VanDerWaalsContact O-CG 3.25Å; L880-K884 WeakPolarHBondContact O-CG 3.42Å; L880-K884 PolarHBondContact O-NZ 3.21Å; E881-K884 WeakPolarHBondContact O-CB 3.34Å; E881-K884 PolarHBondContact O-N 2.73Å; D882-K884 PolarHBondContact O-N 3.12Å |
| 885 | H | 66.8 | Low | 78 | Confident | 157 Ų | 157 | 55 Ų | 55 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -44.2 | -178 | -64.8 | -69.7 | 0 | 0 | 0 | 111.9 | E881 D882 L883 | E881-H885 PolarHBondContact O-CD2 3.04Å; E881-H885 VanDerWaalsContact O-CD2 3.31Å; D882-H885 PolarHBondContact O-N 2.95Å; L883-H885 VanDerWaalsContact C-N 3.28Å |
| 886 | Q | 66.6 | Low | 78 | Confident | 131 Ų | 131 | 55 Ų | 55 | 61% | 0.612 | 28% | 0.276 | S | S | * | . | trans | -142.5 | 105.6 | 176 | -65.8 | -170.2 | 7.1 | 0 | 0 | 111.4 | D882 V888 | D882-Q886 PolarHBondContact O-N 3.46Å; Q886-V888 HydrophobicContact CB-CG2 4.32Å; Q886-V888 PolarHBondContact O-N 3.37Å; Q886-V888 VanDerWaalsContact O-N 3.11Å | ||
| 887 | P | 65.8 | Low | 77.8 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | trans | -75.3 | 104.7 | 174.1 | 32.7 | -36.2 | 0 | 0 | 0 | 109.9 | L883 L919 | L883-P887 HydrophobicContact CD2-CB 4.47Å; P887-L919 HydrophobicContact CB-CD2 3.96Å; P887-L919 HydrophobicContact CG-CD2 3.95Å; P887-L919 WeakPolarHBondContact O-CD2 3.17Å | ||
| 888 | V | 75.2 | Confident | 77.9 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | trans | -107.7 | 141.8 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | Q886 N890 K891 T892 | Q886-V888 HydrophobicContact CB-CG2 4.32Å; Q886-V888 PolarHBondContact O-N 3.37Å; Q886-V888 VanDerWaalsContact O-N 3.11Å; V888-N890 PolarHBondContact O-N 3.36Å; V888-K891 HydrophobicContact CB-CB 4.41Å; V888-K891 HydrophobicContact CB-CD 3.94Å; V888-K891 HydrophobicContact CB-CG 4.09Å; V888-K891 HydrophobicContact CG2-CD 4.24Å; V888-K891 WeakPolarHBondContact O-CB 3.34Å; V888-K891 PolarHBondContact O-N 3.01Å; V888-T892 PolarHBondContact O-N 2.96Å | ||
| 889 | F | 78.2 | Confident | 78.1 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.9 | -58.6 | -176.8 | 176 | -94.3 | 0 | 0 | 0 | 113.2 | K891 T892 L893 C921 E925 E928 I929 | F889-K891 VanDerWaalsContact C-N 3.27Å; F889-K891 PolarHBondContact O-N 2.98Å; F889-T892 PolarHBondContact O-N 2.93Å; F889-T892 VanDerWaalsContact O-N 3.08Å; F889-T892 PolarHBondContact O-OG1 3.15Å; F889-L893 HydrophobicContact CE1-CB 4.43Å; F889-L893 HydrophobicContact CE1-CD2 3.9Å; F889-L893 HydrophobicContact CZ-CD2 3.99Å; F889-L893 PolarHBondContact O-N 3.42Å; F889-C921 HydrophobicContact CD2-CB 4.29Å; F889-E925 HydrophobicContact CB-CG 4.48Å; F889-E925 HydrophobicContact CD1-CB 4.08Å; F889-E925 HydrophobicContact CD1-CG 3.61Å; F889-E925 HydrophobicContact CD2-CB 3.63Å; F889-E925 HydrophobicContact CD2-CG 3.98Å; F889-E925 HydrophobicContact CE1-CB 3.93Å; F889-E925 HydrophobicContact CE1-CG 3.75Å; F889-E925 HydrophobicContact CE2-CB 3.41Å; F889-E925 VanDerWaalsContact CE2-CB 3.41Å; F889-E925 HydrophobicContact CE2-CG 4.07Å; F889-E925 WeakPolarHBondContact CE2-O 3.47Å; F889-E925 HydrophobicContact CG-CB 3.94Å; F889-E925 HydrophobicContact CG-CG 3.74Å; F889-E925 VanDerWaalsContact CZ-CA 3.47Å; F889-E925 HydrophobicContact CZ-CB 3.6Å; F889-E925 HydrophobicContact CZ-CG 3.98Å; F889-E925 WeakPolarHBondContact CZ-O 3.28Å; F889-E928 HydrophobicContact CZ-CB 4.31Å; F889-I929 HydrophobicContact CD2-CD1 4.04Å; F889-I929 HydrophobicContact CE2-CD1 3.46Å; F889-I929 VanDerWaalsContact CE2-CD1 3.46Å; F889-I929 HydrophobicContact CE2-CG1 3.56Å; F889-I929 HydrophobicContact CZ-CD1 4.45Å; F889-I929 HydrophobicContact CZ-CG1 4.08Å |
| 890 | N | 76.2 | Confident | 78 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 51% | 0.508 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -52 | -46.3 | -178.2 | -66.7 | -7.4 | 0 | 0 | 0 | 111.8 | V888 L893 L894 | V888-N890 PolarHBondContact O-N 3.36Å; N890-L893 PolarHBondContact O-N 3.44Å; N890-L894 WeakPolarHBondContact O-CB 3.45Å; N890-L894 PolarHBondContact O-N 3.47Å |
| 891 | K | 80.5 | Confident | 77.9 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 179.3 | -59.2 | -178.1 | -173.9 | -179.8 | 0 | 111.9 | E860 L879 D882 L883 V888 F889 L894 L895 | E860-K891 HydrophobicContact CG-CD 4.33Å; E860-K891 HydrophobicContact CG-CG 3.81Å; E860-K891 WeakPolarHBondContact OE1-CE 3.22Å; E860-K891 VanDerWaalsContact OE1-CG 3.26Å; E860-K891 WeakPolarHBondContact OE1-CG 3.43Å; L879-K891 HydrophobicContact CD2-CB 4.2Å; L879-K891 HydrophobicContact CD2-CG 4.46Å; D882-K891 VanDerWaalsContact CG-NZ 3.27Å; D882-K891 IonicContact OD1-NZ 2.66Å; D882-K891 PolarHBondContact OD1-NZ 3.05Å; D882-K891 VanDerWaalsContact OD1-NZ 3.13Å; D882-K891 WeakPolarHBondContact OD2-CD 3.49Å; D882-K891 WeakPolarHBondContact OD2-CE 3.38Å; D882-K891 IonicContact OD2-NZ 2.72Å; D882-K891 PolarHBondContact OD2-NZ 3.15Å; L883-K891 HydrophobicContact CD1-CB 4.49Å; L883-K891 HydrophobicContact CD2-CB 3.56Å; L883-K891 HydrophobicContact CG-CB 4.12Å; V888-K891 HydrophobicContact CB-CB 4.41Å; V888-K891 HydrophobicContact CB-CD 3.94Å; V888-K891 HydrophobicContact CB-CG 4.09Å; V888-K891 HydrophobicContact CG2-CD 4.24Å; V888-K891 WeakPolarHBondContact O-CB 3.34Å; V888-K891 PolarHBondContact O-N 3.01Å; F889-K891 VanDerWaalsContact C-N 3.27Å; F889-K891 PolarHBondContact O-N 2.98Å; K891-L894 PolarHBondContact O-N 3.05Å; K891-L895 WeakPolarHBondContact O-CB 3.31Å; K891-L895 PolarHBondContact O-N 2.79Å |
| 892 | T | 81.6 | Confident | 78.2 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 176.7 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | L883 V888 F889 L895 G896 L911 L919 | L883-T892 HydrophobicContact CD1-CG2 4.4Å; L883-T892 HydrophobicContact CD2-CG2 3.64Å; V888-T892 PolarHBondContact O-N 2.96Å; F889-T892 PolarHBondContact O-N 2.93Å; F889-T892 VanDerWaalsContact O-N 3.08Å; F889-T892 PolarHBondContact O-OG1 3.15Å; T892-L895 PolarHBondContact O-N 3.45Å; T892-G896 PolarHBondContact O-N 3.46Å; T892-L911 WeakPolarHBondContact O-CD2 3.49Å; T892-L919 HydrophobicContact CG2-CD1 4.14Å |
| 893 | L | 82.7 | Confident | 78.3 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | 177 | -169.8 | 69.5 | 0 | 0 | 0 | 111.4 | F889 N890 G896 L897 L912 E928 I929 | F889-L893 HydrophobicContact CE1-CB 4.43Å; F889-L893 HydrophobicContact CE1-CD2 3.9Å; F889-L893 HydrophobicContact CZ-CD2 3.99Å; F889-L893 PolarHBondContact O-N 3.42Å; N890-L893 PolarHBondContact O-N 3.44Å; L893-G896 PolarHBondContact O-N 3.44Å; L893-L897 PolarHBondContact O-N 3.4Å; L893-L912 HydrophobicContact CD1-CD2 4.22Å; L893-E928 HydrophobicContact CD2-CB 4.5Å; L893-I929 HydrophobicContact CD1-CG1 4.03Å |
| 894 | L | 82.5 | Confident | 78.7 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.8 | -176.4 | 59.6 | 0 | 0 | 0 | 111.5 | A863 L864 L879 N890 K891 G896 L897 I898 | A863-L894 HydrophobicContact CB-CD2 3.67Å; L864-L894 HydrophobicContact CD2-CD1 3.75Å; L864-L894 HydrophobicContact CD2-CD2 4.12Å; L864-L894 HydrophobicContact CG-CD1 4.43Å; L864-L894 HydrophobicContact CG-CD2 3.9Å; L879-L894 HydrophobicContact CD1-CB 4.15Å; L879-L894 HydrophobicContact CD1-CD2 4.12Å; L879-L894 HydrophobicContact CD1-CG 3.92Å; L879-L894 HydrophobicContact CD2-CD2 4.48Å; N890-L894 WeakPolarHBondContact O-CB 3.45Å; N890-L894 PolarHBondContact O-N 3.47Å; K891-L894 PolarHBondContact O-N 3.05Å; L894-G896 VanDerWaalsContact C-N 3.33Å; L894-G896 PolarHBondContact O-N 2.88Å; L894-L897 WeakPolarHBondContact O-CB 3.2Å; L894-L897 PolarHBondContact O-N 2.7Å; L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CG-CD1 3.93Å; L894-I898 WeakPolarHBondContact O-CD1 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 3.11Å |
| 895 | L | 85.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.3 | -174.8 | 53 | 0 | 0 | 0 | 111.6 | E876 L879 L880 L883 K891 T892 L897 I898 L899 L911 | E876-L895 HydrophobicContact CB-CD1 4.27Å; E876-L895 HydrophobicContact CG-CD1 4.17Å; L879-L895 HydrophobicContact CB-CB 4.44Å; L879-L895 HydrophobicContact CB-CD1 4.38Å; L879-L895 HydrophobicContact CB-CD2 4.45Å; L879-L895 HydrophobicContact CD1-CB 3.8Å; L879-L895 HydrophobicContact CD1-CD1 4.37Å; L880-L895 HydrophobicContact CD2-CD2 3.68Å; L880-L895 HydrophobicContact CG-CD2 3.99Å; L883-L895 HydrophobicContact CD1-CB 4.24Å; L883-L895 HydrophobicContact CD1-CD2 3.52Å; K891-L895 WeakPolarHBondContact O-CB 3.31Å; K891-L895 PolarHBondContact O-N 2.79Å; T892-L895 PolarHBondContact O-N 3.45Å; L895-L897 PolarHBondContact O-N 3.39Å; L895-I898 HydrophobicContact CD1-CG2 4.47Å; L895-I898 WeakPolarHBondContact O-CB 3.11Å; L895-I898 PolarHBondContact O-N 2.85Å; L895-L899 HydrophobicContact CD1-CG 4.41Å; L895-L899 HydrophobicContact CG-CD1 4.37Å; L895-L899 VanDerWaalsContact O-CG 3.31Å; L895-L899 WeakPolarHBondContact O-CG 3.45Å; L895-L899 PolarHBondContact O-N 2.86Å; L895-L911 HydrophobicContact CB-CD1 4.3Å; L895-L911 HydrophobicContact CD2-CD1 3.66Å; L895-L911 HydrophobicContact CG-CD1 3.7Å |
| 896 | G | 83 | Confident | 80 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T892 L893 L894 L899 D900 S908 Y936 | T892-G896 PolarHBondContact O-N 3.46Å; L893-G896 PolarHBondContact O-N 3.44Å; L894-G896 VanDerWaalsContact C-N 3.33Å; L894-G896 PolarHBondContact O-N 2.88Å; G896-L899 PolarHBondContact O-N 2.85Å; G896-D900 PolarHBondContact O-N 3.19Å; G896-S908 VanDerWaalsContact C-OG 3.23Å; G896-S908 VanDerWaalsContact CA-OG 3.24Å; G896-S908 WeakPolarHBondContact CA-OG 3.43Å; G896-S908 PolarHBondContact O-OG 3.18Å; G896-Y936 PolarHBondContact O-OH 2.88Å |
| 897 | L | 82.4 | Confident | 80.8 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.6 | -72.8 | 166 | 0 | 0 | 0 | 112.7 | Y867 L893 L894 L895 K901 | Y867-L897 HydrophobicContact CE2-CB 4.42Å; L893-L897 PolarHBondContact O-N 3.4Å; L894-L897 WeakPolarHBondContact O-CB 3.2Å; L894-L897 PolarHBondContact O-N 2.7Å; L895-L897 PolarHBondContact O-N 3.39Å; L897-K901 WeakPolarHBondContact O-CG 3.24Å; L897-K901 PolarHBondContact O-N 2.7Å; L897-K901 VanDerWaalsContact O-N 3.13Å |
| 898 | I | 84.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 175.3 | -75.4 | 157.6 | 0 | 0 | 0 | 110.9 | Y867 Y872 A875 E876 L879 L894 L895 K901 Q902 | Y867-I898 HydrophobicContact CD2-CG1 3.88Å; Y872-I898 WeakPolarHBondContact O-CG2 3.34Å; A875-I898 HydrophobicContact CB-CD1 3.44Å; A875-I898 VanDerWaalsContact CB-CD1 3.44Å; A875-I898 HydrophobicContact CB-CG1 3.91Å; A875-I898 HydrophobicContact CB-CG2 4.19Å; E876-I898 HydrophobicContact CB-CG2 4.03Å; L879-I898 HydrophobicContact CD1-CD1 3.47Å; L879-I898 VanDerWaalsContact CD1-CD1 3.47Å; L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CG-CD1 3.93Å; L894-I898 WeakPolarHBondContact O-CD1 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 3.11Å; L895-I898 HydrophobicContact CD1-CG2 4.47Å; L895-I898 WeakPolarHBondContact O-CB 3.11Å; L895-I898 PolarHBondContact O-N 2.85Å; I898-K901 PolarHBondContact O-N 2.91Å; I898-Q902 WeakPolarHBondContact O-CG 3.3Å; I898-Q902 PolarHBondContact O-N 3.16Å; I898-Q902 VanDerWaalsContact O-N 3.16Å |
| 899 | L | 85.7 | Confident | 82.3 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.9 | -68.3 | 170.7 | 0 | 0 | 0 | 111.9 | E876 L895 G896 K901 Q902 N903 K904 D907 L911 | E876-L899 WeakPolarHBondContact OE1-CD2 3.19Å; L895-L899 HydrophobicContact CD1-CG 4.41Å; L895-L899 HydrophobicContact CG-CD1 4.37Å; L895-L899 VanDerWaalsContact O-CG 3.31Å; L895-L899 WeakPolarHBondContact O-CG 3.45Å; L895-L899 PolarHBondContact O-N 2.86Å; G896-L899 PolarHBondContact O-N 2.85Å; L899-K901 VanDerWaalsContact C-N 3.3Å; L899-K901 PolarHBondContact O-N 2.94Å; L899-Q902 WeakPolarHBondContact O-CA 3.47Å; L899-Q902 WeakPolarHBondContact O-CB 3.37Å; L899-Q902 PolarHBondContact O-N 3.49Å; L899-N903 PolarHBondContact O-N 3.23Å; L899-K904 HydrophobicContact CB-CB 4.14Å; L899-K904 HydrophobicContact CD2-CB 4.21Å; L899-K904 HydrophobicContact CD2-CD 3.48Å; L899-K904 VanDerWaalsContact CD2-CD 3.48Å; L899-K904 WeakPolarHBondContact O-CA 3.28Å; L899-K904 WeakPolarHBondContact O-CB 3.49Å; L899-K904 PolarHBondContact O-N 2.94Å; L899-D907 HydrophobicContact CD1-CB 4.4Å; L899-L911 HydrophobicContact CD1-CD1 3.71Å |
| 900 | D | 79.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -42.4 | 173.6 | 175.4 | 67.7 | 0 | 0 | 0 | 112.1 | G896 Q902 N903 Y936 K939 | G896-D900 PolarHBondContact O-N 3.19Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 2.91Å; D900-N903 PolarHBondContact O-N 2.95Å; D900-Y936 HydrophobicContact CB-CD1 4.27Å; D900-Y936 HydrophobicContact CB-CE1 3.56Å; D900-Y936 WeakPolarHBondContact OD1-CD1 3.36Å; D900-Y936 WeakPolarHBondContact OD1-CE1 3.43Å; D900-K939 IonicContact OD1-NZ 2.76Å; D900-K939 PolarHBondContact OD1-NZ 3.46Å; D900-K939 IonicContact OD2-NZ 2.71Å; D900-K939 PolarHBondContact OD2-NZ 3.26Å |
| 901 | K | 79.7 | Confident | 83.1 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.4 | -12.9 | 175.9 | -73.4 | -66.9 | -174 | 176.9 | 0 | 114.8 | Y867 Y872 L897 I898 L899 N903 | Y867-K901 HydrophobicContact CE2-CG 3.89Å; Y872-K901 HydrophobicContact CD1-CB 4.01Å; Y872-K901 HydrophobicContact CD2-CB 3.92Å; Y872-K901 HydrophobicContact CE1-CB 3.81Å; Y872-K901 HydrophobicContact CE1-CG 4.23Å; Y872-K901 HydrophobicContact CE2-CB 3.71Å; Y872-K901 HydrophobicContact CG-CB 4.08Å; L897-K901 WeakPolarHBondContact O-CG 3.24Å; L897-K901 PolarHBondContact O-N 2.7Å; L897-K901 VanDerWaalsContact O-N 3.13Å; I898-K901 PolarHBondContact O-N 2.91Å; L899-K901 VanDerWaalsContact C-N 3.3Å; L899-K901 PolarHBondContact O-N 2.94Å; K901-N903 VanDerWaalsContact C-N 3.32Å |
| 902 | Q | 82.5 | Confident | 83.3 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.2 | 166.7 | -66.8 | -173.1 | 39.1 | 0 | 0 | 113.3 | Y872 E876 I898 L899 D900 K904 | Y872-Q902 VanDerWaalsContact C-NE2 3.32Å; Y872-Q902 HydrophobicContact CD2-CG 4.42Å; Y872-Q902 HydrophobicContact CG-CG 4.37Å; Y872-Q902 PolarHBondContact O-NE2 3.42Å; Y872-Q902 VanDerWaalsContact O-NE2 3.12Å; E876-Q902 PolarHBondContact OE2-NE2 2.89Å; E876-Q902 PolarHBondContact OE2-OE1 2.96Å; I898-Q902 WeakPolarHBondContact O-CG 3.3Å; I898-Q902 PolarHBondContact O-N 3.16Å; I898-Q902 VanDerWaalsContact O-N 3.16Å; L899-Q902 WeakPolarHBondContact O-CA 3.47Å; L899-Q902 WeakPolarHBondContact O-CB 3.37Å; L899-Q902 PolarHBondContact O-N 3.49Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 2.91Å; Q902-K904 HydrophobicContact CB-CB 4.47Å; Q902-K904 HydrophobicContact CB-CD 4.13Å; Q902-K904 HydrophobicContact CB-CG 4.06Å; Q902-K904 PolarHBondContact O-N 2.59Å |
| 903 | N | 77.6 | Confident | 83.6 | Confident | 146 Ų | 146 | 43.1 Ų | 43.1 | 78% | 0.781 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 10.3 | -166.3 | -58.1 | -28.4 | 0 | 0 | 0 | 114.5 | L899 D900 K901 T905 | L899-N903 PolarHBondContact O-N 3.23Å; D900-N903 PolarHBondContact O-N 2.95Å; K901-N903 VanDerWaalsContact C-N 3.32Å; N903-T905 PolarHBondContact O-N 3.41Å |
| 904 | K | 83.2 | Confident | 83.6 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | trans | -78.8 | 52.9 | 171.5 | -66.1 | 174.3 | 173.5 | 164.9 | 0 | 110.8 | E876 L899 Q902 K906 D907 S908 | E876-K904 IonicContact OE1-NZ 3.63Å; E876-K904 PolarHBondContact OE1-NZ 3.29Å; E876-K904 IonicContact OE2-NZ 2.66Å; E876-K904 PolarHBondContact OE2-NZ 3.29Å; L899-K904 HydrophobicContact CB-CB 4.14Å; L899-K904 HydrophobicContact CD2-CB 4.21Å; L899-K904 HydrophobicContact CD2-CD 3.48Å; L899-K904 VanDerWaalsContact CD2-CD 3.48Å; L899-K904 WeakPolarHBondContact O-CA 3.28Å; L899-K904 WeakPolarHBondContact O-CB 3.49Å; L899-K904 PolarHBondContact O-N 2.94Å; Q902-K904 HydrophobicContact CB-CB 4.47Å; Q902-K904 HydrophobicContact CB-CD 4.13Å; Q902-K904 HydrophobicContact CB-CG 4.06Å; Q902-K904 PolarHBondContact O-N 2.59Å; K904-K906 VanDerWaalsContact C-N 3.32Å; K904-K906 PolarHBondContact O-N 3.31Å; K904-D907 HydrophobicContact CB-CB 4.1Å; K904-D907 PolarHBondContact O-N 3.21Å; K904-S908 WeakPolarHBondContact O-CB 3.12Å; K904-S908 PolarHBondContact O-N 3.34Å; K904-S908 VanDerWaalsContact O-N 3.08Å | ||
| 905 | T | 81.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.1 | -33.9 | -173.1 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | N903 I909 | N903-T905 PolarHBondContact O-N 3.41Å; T905-I909 VanDerWaalsContact O-CG1 3.32Å; T905-I909 WeakPolarHBondContact O-CG1 3.28Å; T905-I909 PolarHBondContact O-N 2.94Å; T905-I909 VanDerWaalsContact O-N 3.1Å |
| 906 | K | 84.5 | Confident | 83.3 | Confident | 141 Ų | 141 | 46 Ų | 46 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.9 | -51.6 | 175.7 | -64.4 | -177.8 | -179.8 | 179.4 | 0 | 111.4 | K904 S908 I909 E910 I940 | K904-K906 VanDerWaalsContact C-N 3.32Å; K904-K906 PolarHBondContact O-N 3.31Å; K906-S908 PolarHBondContact O-N 2.9Å; K906-I909 WeakPolarHBondContact O-CA 3.48Å; K906-I909 WeakPolarHBondContact O-CB 3.5Å; K906-I909 PolarHBondContact O-N 3.45Å; K906-E910 PolarHBondContact O-N 3.49Å; K906-I940 HydrophobicContact CG-CD1 4.35Å |
| 907 | D | 84.8 | Confident | 83.2 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 177.8 | -42.9 | 14.1 | 0 | 0 | 0 | 110.9 | L899 K904 E910 L911 | L899-D907 HydrophobicContact CD1-CB 4.4Å; K904-D907 HydrophobicContact CB-CB 4.1Å; K904-D907 PolarHBondContact O-N 3.21Å; D907-E910 PolarHBondContact O-N 3.47Å; D907-L911 WeakPolarHBondContact O-CB 3.45Å; D907-L911 PolarHBondContact O-N 3.42Å |
| 908 | S | 84.9 | Confident | 83 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.7 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | G896 K904 K906 L911 L912 Y936 | G896-S908 VanDerWaalsContact C-OG 3.23Å; G896-S908 VanDerWaalsContact CA-OG 3.24Å; G896-S908 WeakPolarHBondContact CA-OG 3.43Å; G896-S908 PolarHBondContact O-OG 3.18Å; K904-S908 WeakPolarHBondContact O-CB 3.12Å; K904-S908 PolarHBondContact O-N 3.34Å; K904-S908 VanDerWaalsContact O-N 3.08Å; K906-S908 PolarHBondContact O-N 2.9Å; S908-L911 PolarHBondContact O-N 2.95Å; S908-L912 WeakPolarHBondContact O-CB 3.5Å; S908-L912 WeakPolarHBondContact O-CG 3.41Å; S908-L912 PolarHBondContact O-N 3.27Å; S908-Y936 WeakPolarHBondContact OG-CE2 3.45Å |
| 909 | I | 86.2 | Confident | 82.3 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.6 | -72 | 168.6 | 0 | 0 | 0 | 110.8 | T905 K906 L911 L912 I913 L933 Y936 Y937 I940 | T905-I909 VanDerWaalsContact O-CG1 3.32Å; T905-I909 WeakPolarHBondContact O-CG1 3.28Å; T905-I909 PolarHBondContact O-N 2.94Å; T905-I909 VanDerWaalsContact O-N 3.1Å; K906-I909 WeakPolarHBondContact O-CA 3.48Å; K906-I909 WeakPolarHBondContact O-CB 3.5Å; K906-I909 PolarHBondContact O-N 3.45Å; I909-L911 PolarHBondContact O-N 3.01Å; I909-L912 PolarHBondContact O-N 2.73Å; I909-I913 HydrophobicContact CG2-CD1 3.56Å; I909-I913 HydrophobicContact CG2-CG1 4.36Å; I909-I913 WeakPolarHBondContact O-CB 3.43Å; I909-I913 VanDerWaalsContact O-CG1 3.25Å; I909-I913 WeakPolarHBondContact O-CG1 3.39Å; I909-I913 PolarHBondContact O-N 3.05Å; I909-L933 HydrophobicContact CB-CD2 4.18Å; I909-L933 HydrophobicContact CG1-CD2 4.06Å; I909-L933 HydrophobicContact CG2-CD2 4.01Å; I909-Y936 HydrophobicContact CG1-CD2 3.96Å; I909-Y936 HydrophobicContact CG1-CG 4.37Å; I909-Y937 HydrophobicContact CD1-CD1 3.97Å; I909-Y937 HydrophobicContact CD1-CE1 3.97Å; I909-Y937 HydrophobicContact CG2-CE1 4.08Å; I909-I940 HydrophobicContact CD1-CD1 3.46Å; I909-I940 VanDerWaalsContact CD1-CD1 3.46Å |
| 910 | E | 87 | Confident | 81.8 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 178.2 | -70.4 | -173.5 | -166 | 0 | 0 | 112.1 | K906 D907 I913 N914 | K906-E910 PolarHBondContact O-N 3.49Å; D907-E910 PolarHBondContact O-N 3.47Å; E910-I913 PolarHBondContact O-N 3.2Å; E910-N914 WeakPolarHBondContact O-CB 3.39Å; E910-N914 VanDerWaalsContact O-CG 3.24Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.09Å |
| 911 | L | 85.8 | Confident | 81.4 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 175.5 | -172.6 | 159.7 | 0 | 0 | 0 | 111.5 | T892 L895 L899 D907 S908 I909 N914 S915 | T892-L911 WeakPolarHBondContact O-CD2 3.49Å; L895-L911 HydrophobicContact CB-CD1 4.3Å; L895-L911 HydrophobicContact CD2-CD1 3.66Å; L895-L911 HydrophobicContact CG-CD1 3.7Å; L899-L911 HydrophobicContact CD1-CD1 3.71Å; D907-L911 WeakPolarHBondContact O-CB 3.45Å; D907-L911 PolarHBondContact O-N 3.42Å; S908-L911 PolarHBondContact O-N 2.95Å; I909-L911 PolarHBondContact O-N 3.01Å; L911-N914 PolarHBondContact O-N 3.1Å; L911-S915 PolarHBondContact O-N 3.1Å |
| 912 | L | 84.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.5 | -32.6 | -179.2 | -70.5 | -173.9 | 0 | 0 | 0 | 113.3 | L893 S908 I909 S915 L916 I929 H932 L933 Y936 | L893-L912 HydrophobicContact CD1-CD2 4.22Å; S908-L912 WeakPolarHBondContact O-CB 3.5Å; S908-L912 WeakPolarHBondContact O-CG 3.41Å; S908-L912 PolarHBondContact O-N 3.27Å; I909-L912 PolarHBondContact O-N 2.73Å; L912-S915 PolarHBondContact O-OG 3.22Å; L912-L916 WeakPolarHBondContact O-CG 3.18Å; L912-L916 PolarHBondContact O-N 3.1Å; L912-L916 VanDerWaalsContact O-N 3.13Å; L912-I929 HydrophobicContact CB-CG2 3.91Å; L912-I929 HydrophobicContact CD1-CG2 4.34Å; L912-I929 HydrophobicContact CD2-CG1 4.26Å; L912-I929 HydrophobicContact CD2-CG2 4.44Å; L912-I929 HydrophobicContact CG-CG2 4.46Å; L912-H932 HydrophobicContact CD1-CB 4.21Å; L912-L933 HydrophobicContact CB-CD2 3.85Å; L912-L933 HydrophobicContact CB-CG 4.19Å; L912-L933 HydrophobicContact CD1-CD2 4.29Å; L912-L933 HydrophobicContact CD1-CG 4.34Å; L912-Y936 HydrophobicContact CD1-CD2 4.37Å; L912-Y936 HydrophobicContact CD1-CE2 3.71Å |
| 913 | I | 86 | Confident | 81.3 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 171.8 | -73 | 169.6 | 0 | 0 | 0 | 110.9 | I909 E910 K917 L933 | I909-I913 HydrophobicContact CG2-CD1 3.56Å; I909-I913 HydrophobicContact CG2-CG1 4.36Å; I909-I913 WeakPolarHBondContact O-CB 3.43Å; I909-I913 VanDerWaalsContact O-CG1 3.25Å; I909-I913 WeakPolarHBondContact O-CG1 3.39Å; I909-I913 PolarHBondContact O-N 3.05Å; E910-I913 PolarHBondContact O-N 3.2Å; I913-K917 WeakPolarHBondContact O-CG 2.99Å; I913-K917 PolarHBondContact O-N 3.31Å; I913-L933 HydrophobicContact CG1-CD1 4.32Å; I913-L933 HydrophobicContact CG1-CD2 4.3Å |
| 914 | N | 83.8 | Confident | 81.4 | Confident | 65 Ų | 65 | 73 Ų | 73 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.6 | -36 | 178.6 | -70 | -27.6 | 0 | 0 | 0 | 112.2 | E910 L911 L916 K917 Q918 | E910-N914 WeakPolarHBondContact O-CB 3.39Å; E910-N914 VanDerWaalsContact O-CG 3.24Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.09Å; L911-N914 PolarHBondContact O-N 3.1Å; N914-L916 PolarHBondContact O-N 3.36Å; N914-K917 PolarHBondContact O-N 2.97Å; N914-K917 VanDerWaalsContact O-N 3.13Å; N914-K917 PolarHBondContact OD1-NZ 3.4Å; N914-K917 VanDerWaalsContact OD1-NZ 3.08Å; N914-Q918 WeakPolarHBondContact O-CG 3.45Å; N914-Q918 PolarHBondContact O-N 2.86Å |
| 915 | S | 80.1 | Confident | 81.3 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 172.9 | 75.7 | 0 | 0 | 0 | 0 | 112 | L911 L912 K917 Q918 L919 | L911-S915 PolarHBondContact O-N 3.1Å; L912-S915 PolarHBondContact O-OG 3.22Å; S915-K917 VanDerWaalsContact C-N 3.25Å; S915-K917 PolarHBondContact O-N 2.65Å; S915-Q918 PolarHBondContact O-N 3.17Å; S915-L919 WeakPolarHBondContact O-CB 3.35Å; S915-L919 PolarHBondContact O-N 2.92Å |
| 916 | L | 81.1 | Confident | 81.4 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -27.7 | 171.7 | -80.6 | 173.8 | 0 | 0 | 0 | 114.4 | L912 N914 K926 I929 Y930 L933 | L912-L916 WeakPolarHBondContact O-CG 3.18Å; L912-L916 PolarHBondContact O-N 3.1Å; L912-L916 VanDerWaalsContact O-N 3.13Å; N914-L916 PolarHBondContact O-N 3.36Å; L916-K926 HydrophobicContact CD2-CB 4.44Å; L916-K926 HydrophobicContact CD2-CG 4.09Å; L916-I929 HydrophobicContact CD1-CG2 3.65Å; L916-I929 HydrophobicContact CD2-CB 4.31Å; L916-I929 HydrophobicContact CD2-CD1 3.96Å; L916-I929 HydrophobicContact CD2-CG2 4.24Å; L916-I929 HydrophobicContact CG-CB 4.41Å; L916-I929 HydrophobicContact CG-CD1 4.04Å; L916-I929 HydrophobicContact CG-CG2 3.81Å; L916-Y930 HydrophobicContact CD1-CD1 4.48Å; L916-Y930 HydrophobicContact CD1-CE1 3.92Å; L916-Y930 HydrophobicContact CD1-CE2 4.26Å; L916-Y930 HydrophobicContact CD2-CE2 4.42Å; L916-L933 HydrophobicContact CD1-CD1 3.95Å |
| 917 | K | 81 | Confident | 81.4 | Confident | 149 Ų | 149 | 67.5 Ų | 67.5 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -83.2 | -35.9 | 176 | -65.8 | 167.2 | -167.1 | 163.1 | 0 | 112.5 | I913 N914 S915 | I913-K917 WeakPolarHBondContact O-CG 2.99Å; I913-K917 PolarHBondContact O-N 3.31Å; N914-K917 PolarHBondContact O-N 2.97Å; N914-K917 VanDerWaalsContact O-N 3.13Å; N914-K917 PolarHBondContact OD1-NZ 3.4Å; N914-K917 VanDerWaalsContact OD1-NZ 3.08Å; S915-K917 VanDerWaalsContact C-N 3.25Å; S915-K917 PolarHBondContact O-N 2.65Å |
| 918 | Q | 77.5 | Confident | 81.3 | Confident | 153 Ų | 153 | 66.4 Ų | 66.4 | 72% | 0.715 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -93.5 | -31.6 | -170.8 | -68.6 | 176 | -9.4 | 0 | 0 | 113.7 | N914 S915 | N914-Q918 WeakPolarHBondContact O-CG 3.45Å; N914-Q918 PolarHBondContact O-N 2.86Å; S915-Q918 PolarHBondContact O-N 3.17Å |
| 919 | L | 71.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | trans | -99 | 142.5 | -171.1 | -61.8 | -179.4 | 0 | 0 | 0 | 114 | P887 T892 S915 C921 | P887-L919 HydrophobicContact CB-CD2 3.96Å; P887-L919 HydrophobicContact CG-CD2 3.95Å; P887-L919 WeakPolarHBondContact O-CD2 3.17Å; T892-L919 HydrophobicContact CG2-CD1 4.14Å; S915-L919 WeakPolarHBondContact O-CB 3.35Å; S915-L919 PolarHBondContact O-N 2.92Å; L919-C921 WeakPolarHBondContact CB-SG 3.43Å; L919-C921 PolarHBondContact O-N 2.95Å | ||
| 920 | R | 74.7 | Confident | 81.5 | Confident | 256 Ų | 256 | 68.6 Ų | 68.6 | 97% | 0.966 | 32% | 0.321 | S | S | * | . | trans | -79.9 | 54.8 | 172.2 | -68 | -173.6 | 174.9 | -172.5 | -0.5 | 111.7 | ||||
| 921 | C | 70.9 | Confident | 81.4 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 10% | 0.095 | 30% | 0.297 | C | S | . | . | trans | -65.4 | 144.5 | -177.5 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | F889 L919 E925 K926 | F889-C921 HydrophobicContact CD2-CB 4.29Å; L919-C921 WeakPolarHBondContact CB-SG 3.43Å; L919-C921 PolarHBondContact O-N 2.95Å; C921-E925 WeakPolarHBondContact CA-OE2 3.48Å; C921-E925 HydrophobicContact CB-CB 3.82Å; C921-E925 WeakPolarHBondContact CB-OE2 3.44Å; C921-K926 HydrophobicContact CB-CD 4.49Å; C921-K926 HydrophobicContact CB-CG 3.7Å; C921-K926 WeakPolarHBondContact O-CE 3.25Å | ||
| 922 | T | 81 | Confident | 81.3 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | trans | -68.7 | 169.5 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | S924 E925 K926 | T922-S924 VanDerWaalsContact C-N 3.32Å; T922-S924 PolarHBondContact O-N 3.14Å; T922-S924 PolarHBondContact OG1-OG 2.96Å; T922-E925 VanDerWaalsContact CB-OE1 3.29Å; T922-E925 WeakPolarHBondContact CB-OE1 3.47Å; T922-E925 WeakPolarHBondContact CG2-OE1 3.28Å; T922-E925 PolarHBondContact N-OE2 3.43Å; T922-E925 PolarHBondContact O-N 3.01Å; T922-E925 VanDerWaalsContact OG1-CG 3.28Å; T922-E925 WeakPolarHBondContact OG1-CG 3.25Å; T922-E925 PolarHBondContact OG1-N 3.19Å; T922-E925 PolarHBondContact OG1-OE1 3.14Å; T922-K926 WeakPolarHBondContact O-CG 2.99Å; T922-K926 PolarHBondContact O-N 3.48Å | ||
| 923 | K | 80.5 | Confident | 81.5 | Confident | 158 Ų | 158 | 62 Ų | 62 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 179.3 | -70.6 | -173.3 | 178.1 | -176.4 | 0 | 112.7 | A927 Y956 | K923-A927 PolarHBondContact O-N 3.35Å; K923-Y956 HydrophobicContact CB-CD1 4.17Å; K923-Y956 HydrophobicContact CG-CD1 4.2Å |
| 924 | S | 79.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -45 | 174.9 | 24.9 | 0 | 0 | 0 | 0 | 112.1 | T922 A927 E928 | T922-S924 VanDerWaalsContact C-N 3.32Å; T922-S924 PolarHBondContact O-N 3.14Å; T922-S924 PolarHBondContact OG1-OG 2.96Å; S924-A927 WeakPolarHBondContact O-CB 3.47Å; S924-A927 PolarHBondContact O-N 3.44Å; S924-E928 PolarHBondContact O-N 3.49Å |
| 925 | E | 81.2 | Confident | 81.6 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.9 | -72.9 | 158 | -132.5 | 0 | 0 | 111.9 | F889 C921 T922 A927 E928 I929 | F889-E925 HydrophobicContact CB-CG 4.48Å; F889-E925 HydrophobicContact CD1-CB 4.08Å; F889-E925 HydrophobicContact CD1-CG 3.61Å; F889-E925 HydrophobicContact CD2-CB 3.63Å; F889-E925 HydrophobicContact CD2-CG 3.98Å; F889-E925 HydrophobicContact CE1-CB 3.93Å; F889-E925 HydrophobicContact CE1-CG 3.75Å; F889-E925 HydrophobicContact CE2-CB 3.41Å; F889-E925 VanDerWaalsContact CE2-CB 3.41Å; F889-E925 HydrophobicContact CE2-CG 4.07Å; F889-E925 WeakPolarHBondContact CE2-O 3.47Å; F889-E925 HydrophobicContact CG-CB 3.94Å; F889-E925 HydrophobicContact CG-CG 3.74Å; F889-E925 VanDerWaalsContact CZ-CA 3.47Å; F889-E925 HydrophobicContact CZ-CB 3.6Å; F889-E925 HydrophobicContact CZ-CG 3.98Å; F889-E925 WeakPolarHBondContact CZ-O 3.28Å; C921-E925 WeakPolarHBondContact CA-OE2 3.48Å; C921-E925 HydrophobicContact CB-CB 3.82Å; C921-E925 WeakPolarHBondContact CB-OE2 3.44Å; T922-E925 VanDerWaalsContact CB-OE1 3.29Å; T922-E925 WeakPolarHBondContact CB-OE1 3.47Å; T922-E925 WeakPolarHBondContact CG2-OE1 3.28Å; T922-E925 PolarHBondContact N-OE2 3.43Å; T922-E925 PolarHBondContact O-N 3.01Å; T922-E925 VanDerWaalsContact OG1-CG 3.28Å; T922-E925 WeakPolarHBondContact OG1-CG 3.25Å; T922-E925 PolarHBondContact OG1-N 3.19Å; T922-E925 PolarHBondContact OG1-OE1 3.14Å; E925-A927 VanDerWaalsContact C-N 3.31Å; E925-A927 PolarHBondContact O-N 3.04Å; E925-E928 PolarHBondContact O-N 3.16Å; E925-E928 VanDerWaalsContact O-N 3.14Å; E925-I929 PolarHBondContact O-N 3.45Å; E925-I929 VanDerWaalsContact O-N 3.11Å |
| 926 | K | 83.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 26% | 0.261 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175 | -68.3 | -167.2 | 179.1 | -163.4 | 0 | 111.8 | L916 C921 T922 Y930 Y956 | L916-K926 HydrophobicContact CD2-CB 4.44Å; L916-K926 HydrophobicContact CD2-CG 4.09Å; C921-K926 HydrophobicContact CB-CD 4.49Å; C921-K926 HydrophobicContact CB-CG 3.7Å; C921-K926 WeakPolarHBondContact O-CE 3.25Å; T922-K926 WeakPolarHBondContact O-CG 2.99Å; T922-K926 PolarHBondContact O-N 3.48Å; K926-Y930 WeakPolarHBondContact O-CD2 3.21Å; K926-Y930 PolarHBondContact O-N 3.03Å; K926-Y956 HydrophobicContact CB-CD2 4.35Å; K926-Y956 HydrophobicContact CB-CE2 4.17Å |
| 927 | A | 84.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.2 | -53.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K923 S924 E925 I929 Y930 N931 F953 N957 | K923-A927 PolarHBondContact O-N 3.35Å; S924-A927 WeakPolarHBondContact O-CB 3.47Å; S924-A927 PolarHBondContact O-N 3.44Å; E925-A927 VanDerWaalsContact C-N 3.31Å; E925-A927 PolarHBondContact O-N 3.04Å; A927-I929 VanDerWaalsContact C-N 3.35Å; A927-I929 PolarHBondContact O-N 2.94Å; A927-Y930 WeakPolarHBondContact O-CA 3.31Å; A927-Y930 PolarHBondContact O-N 3.41Å; A927-N931 PolarHBondContact O-N 3.16Å; A927-F953 HydrophobicContact CB-CD2 3.9Å; A927-F953 HydrophobicContact CB-CE2 3.75Å; A927-F953 HydrophobicContact CB-CG 4.45Å; A927-F953 HydrophobicContact CB-CZ 4.22Å; A927-F953 WeakPolarHBondContact O-CD2 3.44Å; A927-F953 WeakPolarHBondContact O-CE2 3.48Å; A927-N957 HydrophobicContact CB-CB 4.05Å |
| 928 | E | 83.1 | Confident | 82.2 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -38.4 | -174.8 | -70.2 | -175.2 | 167.1 | 0 | 0 | 113.3 | F889 L893 S924 E925 Y930 N931 H932 | F889-E928 HydrophobicContact CZ-CB 4.31Å; L893-E928 HydrophobicContact CD2-CB 4.5Å; S924-E928 PolarHBondContact O-N 3.49Å; E925-E928 PolarHBondContact O-N 3.16Å; E925-E928 VanDerWaalsContact O-N 3.14Å; E928-Y930 PolarHBondContact O-N 3.34Å; E928-N931 WeakPolarHBondContact O-CB 3.47Å; E928-N931 PolarHBondContact O-N 2.94Å; E928-H932 PolarHBondContact O-CD2 3.21Å; E928-H932 PolarHBondContact O-N 3.38Å |
| 929 | I | 85.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 170.2 | -70.5 | 171.6 | 0 | 0 | 0 | 111.7 | F889 L893 L912 L916 E925 A927 N931 H932 L933 | F889-I929 HydrophobicContact CD2-CD1 4.04Å; F889-I929 HydrophobicContact CE2-CD1 3.46Å; F889-I929 VanDerWaalsContact CE2-CD1 3.46Å; F889-I929 HydrophobicContact CE2-CG1 3.56Å; F889-I929 HydrophobicContact CZ-CD1 4.45Å; F889-I929 HydrophobicContact CZ-CG1 4.08Å; L893-I929 HydrophobicContact CD1-CG1 4.03Å; L912-I929 HydrophobicContact CB-CG2 3.91Å; L912-I929 HydrophobicContact CD1-CG2 4.34Å; L912-I929 HydrophobicContact CD2-CG1 4.26Å; L912-I929 HydrophobicContact CD2-CG2 4.44Å; L912-I929 HydrophobicContact CG-CG2 4.46Å; L916-I929 HydrophobicContact CD1-CG2 3.65Å; L916-I929 HydrophobicContact CD2-CB 4.31Å; L916-I929 HydrophobicContact CD2-CD1 3.96Å; L916-I929 HydrophobicContact CD2-CG2 4.24Å; L916-I929 HydrophobicContact CG-CB 4.41Å; L916-I929 HydrophobicContact CG-CD1 4.04Å; L916-I929 HydrophobicContact CG-CG2 3.81Å; E925-I929 PolarHBondContact O-N 3.45Å; E925-I929 VanDerWaalsContact O-N 3.11Å; A927-I929 VanDerWaalsContact C-N 3.35Å; A927-I929 PolarHBondContact O-N 2.94Å; I929-N931 VanDerWaalsContact C-N 3.26Å; I929-N931 PolarHBondContact O-N 3.24Å; I929-H932 PolarHBondContact O-N 2.7Å; I929-H932 VanDerWaalsContact O-N 3.09Å; I929-L933 HydrophobicContact CG2-CD1 3.71Å; I929-L933 HydrophobicContact CG2-CG 3.99Å; I929-L933 PolarHBondContact O-N 2.89Å |
| 930 | Y | 89.2 | Confident | 82.5 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -27.5 | 179.7 | -77.6 | -58.8 | 0 | 0 | 0 | 113.4 | L916 K926 A927 E928 L933 G934 A949 T952 Y956 | L916-Y930 HydrophobicContact CD1-CD1 4.48Å; L916-Y930 HydrophobicContact CD1-CE1 3.92Å; L916-Y930 HydrophobicContact CD1-CE2 4.26Å; L916-Y930 HydrophobicContact CD2-CE2 4.42Å; K926-Y930 WeakPolarHBondContact O-CD2 3.21Å; K926-Y930 PolarHBondContact O-N 3.03Å; A927-Y930 WeakPolarHBondContact O-CA 3.31Å; A927-Y930 PolarHBondContact O-N 3.41Å; E928-Y930 PolarHBondContact O-N 3.34Å; Y930-L933 HydrophobicContact CD1-CD1 4.1Å; Y930-L933 HydrophobicContact CE1-CD1 4.35Å; Y930-G934 PolarHBondContact O-N 2.99Å; Y930-A949 HydrophobicContact CD1-CB 4.39Å; Y930-T952 WeakPolarHBondContact CD1-OG1 3.25Å; Y930-Y956 HydrophobicContact CD2-CD2 4.29Å; Y930-Y956 AromaticContact CD2-CE2 3.98Å; Y930-Y956 HydrophobicContact CD2-CE2 3.98Å; Y930-Y956 AromaticContact CE2-CE2 3.87Å; Y930-Y956 HydrophobicContact CE2-CE2 3.87Å |
| 931 | N | 85.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 170.2 | -170.8 | 26.3 | 0 | 0 | 0 | 111.7 | A927 E928 I929 Q935 F953 H962 | A927-N931 PolarHBondContact O-N 3.16Å; E928-N931 WeakPolarHBondContact O-CB 3.47Å; E928-N931 PolarHBondContact O-N 2.94Å; I929-N931 VanDerWaalsContact C-N 3.26Å; I929-N931 PolarHBondContact O-N 3.24Å; N931-Q935 PolarHBondContact ND2-NE2 3.37Å; N931-Q935 WeakPolarHBondContact O-CG 3.27Å; N931-Q935 PolarHBondContact O-N 2.97Å; N931-Q935 VanDerWaalsContact O-N 3.15Å; N931-Q935 PolarHBondContact O-NE2 2.95Å; N931-Q935 PolarHBondContact OD1-NE2 3.4Å; N931-F953 HydrophobicContact CB-CD2 3.61Å; N931-F953 HydrophobicContact CB-CE2 3.72Å; N931-H962 PolarHBondContact ND2-NE2 2.93Å; N931-H962 PolarHBondContact OD1-NE2 3.13Å |
| 932 | H | 84.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.06 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.5 | -43.3 | -178.5 | -73.3 | -69.2 | 0 | 0 | 0 | 112 | L912 E928 I929 G934 Q935 Y936 | L912-H932 HydrophobicContact CD1-CB 4.21Å; E928-H932 PolarHBondContact O-CD2 3.21Å; E928-H932 PolarHBondContact O-N 3.38Å; I929-H932 PolarHBondContact O-N 2.7Å; I929-H932 VanDerWaalsContact O-N 3.09Å; H932-G934 VanDerWaalsContact C-N 3.29Å; H932-G934 PolarHBondContact O-N 2.7Å; H932-Q935 PolarHBondContact O-N 3Å; H932-Y936 HydrophobicContact CB-CE2 4.14Å; H932-Y936 WeakPolarHBondContact O-CD1 3.33Å; H932-Y936 WeakPolarHBondContact O-CD2 3.4Å; H932-Y936 PolarHBondContact O-N 3.15Å |
| 933 | L | 88.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.7 | -44.7 | 170.3 | -74.7 | 176.6 | 0 | 0 | 0 | 111.7 | I909 L912 I913 L916 I929 Y930 Q935 Y936 Y937 A949 | I909-L933 HydrophobicContact CB-CD2 4.18Å; I909-L933 HydrophobicContact CG1-CD2 4.06Å; I909-L933 HydrophobicContact CG2-CD2 4.01Å; L912-L933 HydrophobicContact CB-CD2 3.85Å; L912-L933 HydrophobicContact CB-CG 4.19Å; L912-L933 HydrophobicContact CD1-CD2 4.29Å; L912-L933 HydrophobicContact CD1-CG 4.34Å; I913-L933 HydrophobicContact CG1-CD1 4.32Å; I913-L933 HydrophobicContact CG1-CD2 4.3Å; L916-L933 HydrophobicContact CD1-CD1 3.95Å; I929-L933 HydrophobicContact CG2-CD1 3.71Å; I929-L933 HydrophobicContact CG2-CG 3.99Å; I929-L933 PolarHBondContact O-N 2.89Å; Y930-L933 HydrophobicContact CD1-CD1 4.1Å; Y930-L933 HydrophobicContact CE1-CD1 4.35Å; L933-Q935 PolarHBondContact O-N 3.12Å; L933-Y936 PolarHBondContact O-N 3.17Å; L933-Y937 HydrophobicContact CB-CD2 4.4Å; L933-Y937 HydrophobicContact CB-CE2 4.24Å; L933-Y937 WeakPolarHBondContact O-CB 3.26Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.38Å; L933-A949 HydrophobicContact CB-CB 4.26Å |
| 934 | G | 86.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y930 H932 Y936 Y937 M938 A946 | Y930-G934 PolarHBondContact O-N 2.99Å; H932-G934 VanDerWaalsContact C-N 3.29Å; H932-G934 PolarHBondContact O-N 2.7Å; G934-Y936 PolarHBondContact O-N 3.46Å; G934-Y937 PolarHBondContact O-N 3.31Å; G934-M938 WeakPolarHBondContact O-CG 3.31Å; G934-M938 PolarHBondContact O-N 3.13Å; G934-A946 WeakPolarHBondContact O-CB 3.37Å |
| 935 | Q | 83.9 | Confident | 83.9 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 176 | -70.9 | 166.4 | 49.8 | 0 | 0 | 112.3 | N931 H932 L933 M938 K939 F950 Y966 | N931-Q935 PolarHBondContact ND2-NE2 3.37Å; N931-Q935 WeakPolarHBondContact O-CG 3.27Å; N931-Q935 PolarHBondContact O-N 2.97Å; N931-Q935 VanDerWaalsContact O-N 3.15Å; N931-Q935 PolarHBondContact O-NE2 2.95Å; N931-Q935 PolarHBondContact OD1-NE2 3.4Å; H932-Q935 PolarHBondContact O-N 3Å; L933-Q935 PolarHBondContact O-N 3.12Å; Q935-M938 PolarHBondContact O-N 3.09Å; Q935-K939 WeakPolarHBondContact O-CG 3.36Å; Q935-K939 PolarHBondContact O-N 3.37Å; Q935-F950 HydrophobicContact CG-CE1 4.42Å; Q935-F950 HydrophobicContact CG-CZ 4.26Å; Q935-Y966 HydrophobicContact CG-CD2 4.18Å; Q935-Y966 HydrophobicContact CG-CE2 4.07Å |
| 936 | Y | 86.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 177.5 | -54.7 | -24.1 | 0 | 0 | 0 | 112.1 | G896 D900 S908 I909 L912 H932 L933 G934 K939 I940 | G896-Y936 PolarHBondContact O-OH 2.88Å; D900-Y936 HydrophobicContact CB-CD1 4.27Å; D900-Y936 HydrophobicContact CB-CE1 3.56Å; D900-Y936 WeakPolarHBondContact OD1-CD1 3.36Å; D900-Y936 WeakPolarHBondContact OD1-CE1 3.43Å; S908-Y936 WeakPolarHBondContact OG-CE2 3.45Å; I909-Y936 HydrophobicContact CG1-CD2 3.96Å; I909-Y936 HydrophobicContact CG1-CG 4.37Å; L912-Y936 HydrophobicContact CD1-CD2 4.37Å; L912-Y936 HydrophobicContact CD1-CE2 3.71Å; H932-Y936 HydrophobicContact CB-CE2 4.14Å; H932-Y936 WeakPolarHBondContact O-CD1 3.33Å; H932-Y936 WeakPolarHBondContact O-CD2 3.4Å; H932-Y936 PolarHBondContact O-N 3.15Å; L933-Y936 PolarHBondContact O-N 3.17Å; G934-Y936 PolarHBondContact O-N 3.46Å; Y936-K939 WeakPolarHBondContact O-CB 3.42Å; Y936-K939 PolarHBondContact O-N 2.88Å; Y936-I940 WeakPolarHBondContact O-CG1 3.46Å; Y936-I940 PolarHBondContact O-N 3.44Å |
| 937 | Y | 87.6 | Confident | 84.5 | Confident | 45 Ų | 45 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.1 | -75 | -51.3 | 0 | 0 | 0 | 112.2 | I909 L933 G934 I940 G941 N942 S945 A949 | I909-Y937 HydrophobicContact CD1-CD1 3.97Å; I909-Y937 HydrophobicContact CD1-CE1 3.97Å; I909-Y937 HydrophobicContact CG2-CE1 4.08Å; L933-Y937 HydrophobicContact CB-CD2 4.4Å; L933-Y937 HydrophobicContact CB-CE2 4.24Å; L933-Y937 WeakPolarHBondContact O-CB 3.26Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.38Å; G934-Y937 PolarHBondContact O-N 3.31Å; Y937-I940 PolarHBondContact O-N 2.99Å; Y937-G941 PolarHBondContact O-N 3.26Å; Y937-N942 HydrophobicContact CD1-CB 4.29Å; Y937-N942 PolarHBondContact O-N 2.85Å; Y937-S945 VanDerWaalsContact CG-CB 3.46Å; Y937-A949 HydrophobicContact CD2-CB 4.36Å |
| 938 | M | 81.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 169.3 | -69.8 | -178.8 | 78.4 | 0 | 0 | 110.9 | W248 G934 Q935 I940 G941 Y943 A946 F950 Q969 S970 | W248-M938 HydrophobicContact CH2-CB 3.39Å; W248-M938 HydrophobicContact CH2-CE 4.34Å; W248-M938 HydrophobicContact CZ2-CB 4.31Å; W248-M938 HydrophobicContact CZ2-CE 4.23Å; W248-M938 VanDerWaalsContact CZ3-C 3.44Å; W248-M938 HydrophobicContact CZ3-CB 3.86Å; W248-M938 WeakPolarHBondContact CZ3-O 3.17Å; G934-M938 WeakPolarHBondContact O-CG 3.31Å; G934-M938 PolarHBondContact O-N 3.13Å; Q935-M938 PolarHBondContact O-N 3.09Å; M938-I940 PolarHBondContact O-N 3.3Å; M938-G941 PolarHBondContact O-N 2.89Å; M938-Y943 HydrophobicContact CB-CE1 4.41Å; M938-A946 HydrophobicContact CB-CB 4.49Å; M938-A946 HydrophobicContact CG-CB 3.63Å; M938-F950 HydrophobicContact CG-CE2 3.96Å; M938-F950 HydrophobicContact CG-CZ 4.38Å; M938-F950 HydrophobicContact SD-CE2 3.6Å; M938-F950 HydrophobicContact SD-CZ 3.83Å; M938-Q969 HydrophobicContact CE-CB 3.8Å; M938-S970 VanDerWaalsContact CG-OG 3.27Å; M938-S970 WeakPolarHBondContact CG-OG 3.48Å; M938-S970 PolarHBondContact SD-OG 2.95Å |
| 939 | K | 74.4 | Confident | 85 | Confident | 100 Ų | 100 | 35.2 Ų | 35.2 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.1 | -32.3 | 179.6 | -77.3 | -172.6 | -175.4 | -174.5 | 0 | 113.8 | W248 D900 Q935 Y936 G941 | W248-K939 HydrophobicContact CH2-CG 3.95Å; W248-K939 HydrophobicContact CZ3-CB 4.48Å; W248-K939 HydrophobicContact CZ3-CG 4.21Å; D900-K939 IonicContact OD1-NZ 2.76Å; D900-K939 PolarHBondContact OD1-NZ 3.46Å; D900-K939 IonicContact OD2-NZ 2.71Å; D900-K939 PolarHBondContact OD2-NZ 3.26Å; Q935-K939 WeakPolarHBondContact O-CG 3.36Å; Q935-K939 PolarHBondContact O-N 3.37Å; Y936-K939 WeakPolarHBondContact O-CB 3.42Å; Y936-K939 PolarHBondContact O-N 2.88Å; K939-G941 VanDerWaalsContact C-N 3.32Å |
| 940 | I | 80.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.1 | 178.6 | -67.5 | 172.5 | 0 | 0 | 0 | 112 | K906 I909 Y936 Y937 M938 N942 | K906-I940 HydrophobicContact CG-CD1 4.35Å; I909-I940 HydrophobicContact CD1-CD1 3.46Å; I909-I940 VanDerWaalsContact CD1-CD1 3.46Å; Y936-I940 WeakPolarHBondContact O-CG1 3.46Å; Y936-I940 PolarHBondContact O-N 3.44Å; Y937-I940 PolarHBondContact O-N 2.99Å; M938-I940 PolarHBondContact O-N 3.3Å; I940-N942 VanDerWaalsContact C-N 3.3Å; I940-N942 HydrophobicContact CG2-CB 4.49Å |
| 941 | G | 74.5 | Confident | 85.3 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y937 M938 K939 Y943 | Y937-G941 PolarHBondContact O-N 3.26Å; M938-G941 PolarHBondContact O-N 2.89Å; K939-G941 VanDerWaalsContact C-N 3.32Å; G941-Y943 VanDerWaalsContact C-N 3.27Å; G941-Y943 WeakPolarHBondContact O-CD2 3.48Å; G941-Y943 WeakPolarHBondContact O-CE2 3.38Å; G941-Y943 PolarHBondContact O-N 3.16Å |
| 942 | N | 83.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | trans | -83.4 | 70.4 | 179.4 | -168.7 | -29.5 | 0 | 0 | 0 | 110.7 | Y937 I940 L944 S945 A946 | Y937-N942 HydrophobicContact CD1-CB 4.29Å; Y937-N942 PolarHBondContact O-N 2.85Å; I940-N942 VanDerWaalsContact C-N 3.3Å; I940-N942 HydrophobicContact CG2-CB 4.49Å; N942-L944 VanDerWaalsContact C-N 3.29Å; N942-L944 PolarHBondContact O-N 2.66Å; N942-S945 PolarHBondContact ND2-OG 2.9Å; N942-S945 PolarHBondContact O-N 2.75Å; N942-S945 WeakPolarHBondContact OD1-CB 3.48Å; N942-S945 PolarHBondContact OD1-N 3.33Å; N942-S945 VanDerWaalsContact OD1-N 3.1Å; N942-S945 PolarHBondContact OD1-OG 3.03Å; N942-A946 PolarHBondContact O-N 2.86Å | ||
| 943 | Y | 84.7 | Confident | 85.7 | Confident | 28 Ų | 28 | 34.6 Ų | 34.6 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -29 | -173.5 | -60.1 | -60.9 | 0 | 0 | 0 | 113.7 | M938 G941 A946 I947 R973 L977 | M938-Y943 HydrophobicContact CB-CE1 4.41Å; G941-Y943 VanDerWaalsContact C-N 3.27Å; G941-Y943 WeakPolarHBondContact O-CD2 3.48Å; G941-Y943 WeakPolarHBondContact O-CE2 3.38Å; G941-Y943 PolarHBondContact O-N 3.16Å; Y943-A946 PolarHBondContact O-N 2.89Å; Y943-I947 VanDerWaalsContact O-CG1 3.25Å; Y943-I947 WeakPolarHBondContact O-CG1 3.39Å; Y943-I947 PolarHBondContact O-N 3.2Å; Y943-R973 HydrophobicContact CD1-CB 4.32Å; Y943-R973 HydrophobicContact CD2-CB 4.12Å; Y943-R973 HydrophobicContact CE1-CB 4.21Å; Y943-R973 VanDerWaalsContact CE1-CD 3.49Å; Y943-R973 HydrophobicContact CE2-CB 3.99Å; Y943-R973 HydrophobicContact CG-CB 4.29Å; Y943-R973 VanDerWaalsContact OH-CD 3.28Å; Y943-R973 WeakPolarHBondContact OH-CD 3.48Å; Y943-R973 PolarHBondContact OH-NH1 3.37Å; Y943-R973 VanDerWaalsContact OH-NH1 3.15Å; Y943-L977 HydrophobicContact CD2-CD1 3.84Å; Y943-L977 HydrophobicContact CE2-CD1 3.96Å |
| 944 | L | 86 | Confident | 85.7 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.4 | -52.5 | 171.7 | -73.5 | 174.1 | 0 | 0 | 0 | 111.1 | N942 A946 I947 H948 L974 P986 | N942-L944 VanDerWaalsContact C-N 3.29Å; N942-L944 PolarHBondContact O-N 2.66Å; L944-A946 VanDerWaalsContact C-N 3.28Å; L944-A946 PolarHBondContact O-N 3.04Å; L944-I947 PolarHBondContact O-N 3.43Å; L944-H948 PolarHBondContact O-CD2 3.4Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.07Å; L944-L974 HydrophobicContact CB-CD1 4.48Å; L944-L974 HydrophobicContact CD2-CD1 3.65Å; L944-L974 HydrophobicContact CD2-CD2 4.4Å; L944-L974 HydrophobicContact CG-CD1 3.87Å; L944-P986 HydrophobicContact CD2-CG 4Å |
| 945 | S | 87.5 | Confident | 85.7 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -32.2 | -179.1 | -54.8 | 0 | 0 | 0 | 0 | 112 | Y937 N942 H948 A949 | Y937-S945 VanDerWaalsContact CG-CB 3.46Å; N942-S945 PolarHBondContact ND2-OG 2.9Å; N942-S945 PolarHBondContact O-N 2.75Å; N942-S945 WeakPolarHBondContact OD1-CB 3.48Å; N942-S945 PolarHBondContact OD1-N 3.33Å; N942-S945 VanDerWaalsContact OD1-N 3.1Å; N942-S945 PolarHBondContact OD1-OG 3.03Å; S945-H948 PolarHBondContact O-N 3.11Å; S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.19Å |
| 946 | A | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G934 M938 N942 Y943 L944 H948 A949 F950 | G934-A946 WeakPolarHBondContact O-CB 3.37Å; M938-A946 HydrophobicContact CB-CB 4.49Å; M938-A946 HydrophobicContact CG-CB 3.63Å; N942-A946 PolarHBondContact O-N 2.86Å; Y943-A946 PolarHBondContact O-N 2.89Å; L944-A946 VanDerWaalsContact C-N 3.28Å; L944-A946 PolarHBondContact O-N 3.04Å; A946-H948 VanDerWaalsContact C-N 3.34Å; A946-H948 PolarHBondContact O-N 3.18Å; A946-A949 PolarHBondContact O-N 3.41Å; A946-F950 HydrophobicContact CB-CD2 4.49Å; A946-F950 HydrophobicContact CB-CE2 4.13Å; A946-F950 WeakPolarHBondContact O-CD2 3.39Å; A946-F950 WeakPolarHBondContact O-CG 3.36Å; A946-F950 PolarHBondContact O-N 3.35Å |
| 947 | I | 87.9 | Confident | 85.6 | Confident | 24 Ų | 24 | 46 Ų | 46 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.7 | -68 | 165.2 | 0 | 0 | 0 | 110.4 | Y943 L944 A949 F950 T951 R967 A971 L974 F989 | Y943-I947 VanDerWaalsContact O-CG1 3.25Å; Y943-I947 WeakPolarHBondContact O-CG1 3.39Å; Y943-I947 PolarHBondContact O-N 3.2Å; L944-I947 PolarHBondContact O-N 3.43Å; I947-A949 PolarHBondContact O-N 3Å; I947-F950 PolarHBondContact O-N 2.97Å; I947-T951 HydrophobicContact CG2-CG2 4.27Å; I947-T951 VanDerWaalsContact O-CG2 3.26Å; I947-T951 WeakPolarHBondContact O-CG2 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; I947-R967 HydrophobicContact CG2-CG 4.29Å; I947-A971 HydrophobicContact CD1-CB 3.96Å; I947-L974 HydrophobicContact CD1-CD1 3.6Å; I947-F989 HydrophobicContact CD1-CE2 3.76Å; I947-F989 HydrophobicContact CD1-CZ 4.2Å |
| 948 | H | 88.8 | Confident | 85.4 | Confident | 122 Ų | 122 | 46.4 Ų | 46.4 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.6 | -41.1 | 175.6 | -71.1 | -61.5 | 0 | 0 | 0 | 113.1 | L944 S945 A946 T951 T952 | L944-H948 PolarHBondContact O-CD2 3.4Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.07Å; S945-H948 PolarHBondContact O-N 3.11Å; A946-H948 VanDerWaalsContact C-N 3.34Å; A946-H948 PolarHBondContact O-N 3.18Å; H948-T951 PolarHBondContact O-N 3.04Å; H948-T951 PolarHBondContact O-OG1 3.21Å; H948-T952 PolarHBondContact O-N 3.35Å; H948-T952 VanDerWaalsContact O-N 3.13Å; H948-T952 PolarHBondContact O-OG1 3.43Å; H948-T952 VanDerWaalsContact O-OG1 3.11Å |
| 949 | A | 90.4 | Very high | 85.4 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y930 L933 Y937 S945 A946 I947 T952 F953 | Y930-A949 HydrophobicContact CD1-CB 4.39Å; L933-A949 HydrophobicContact CB-CB 4.26Å; Y937-A949 HydrophobicContact CD2-CB 4.36Å; S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.19Å; A946-A949 PolarHBondContact O-N 3.41Å; I947-A949 PolarHBondContact O-N 3Å; A949-T952 PolarHBondContact O-N 2.97Å; A949-T952 PolarHBondContact O-OG1 2.77Å; A949-F953 PolarHBondContact O-N 2.74Å |
| 950 | F | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.9 | -29.3 | 176 | -59.6 | -48.2 | 0 | 0 | 0 | 113.8 | Q935 M938 A946 I947 F953 I954 V963 Y966 R967 | Q935-F950 HydrophobicContact CG-CE1 4.42Å; Q935-F950 HydrophobicContact CG-CZ 4.26Å; M938-F950 HydrophobicContact CG-CE2 3.96Å; M938-F950 HydrophobicContact CG-CZ 4.38Å; M938-F950 HydrophobicContact SD-CE2 3.6Å; M938-F950 HydrophobicContact SD-CZ 3.83Å; A946-F950 HydrophobicContact CB-CD2 4.49Å; A946-F950 HydrophobicContact CB-CE2 4.13Å; A946-F950 WeakPolarHBondContact O-CD2 3.39Å; A946-F950 WeakPolarHBondContact O-CG 3.36Å; A946-F950 PolarHBondContact O-N 3.35Å; I947-F950 PolarHBondContact O-N 2.97Å; F950-F953 PolarHBondContact O-N 2.87Å; F950-I954 WeakPolarHBondContact O-CD1 3.38Å; F950-I954 VanDerWaalsContact O-CG1 3.31Å; F950-I954 WeakPolarHBondContact O-CG1 3.48Å; F950-I954 PolarHBondContact O-N 2.93Å; F950-I954 VanDerWaalsContact O-N 3.15Å; F950-V963 HydrophobicContact CB-CG1 3.84Å; F950-V963 HydrophobicContact CD1-CG1 3.65Å; F950-V963 HydrophobicContact CG-CG1 4.06Å; F950-Y966 HydrophobicContact CE1-CD2 4.02Å; F950-Y966 HydrophobicContact CE1-CG 4.44Å; F950-Y966 VanDerWaalsContact CZ-CB 3.42Å; F950-Y966 HydrophobicContact CZ-CD2 4.07Å; F950-Y966 HydrophobicContact CZ-CG 4.13Å; F950-R967 HydrophobicContact CB-CB 3.83Å; F950-R967 HydrophobicContact CB-CG 4.18Å; F950-R967 HydrophobicContact CD2-CB 4.36Å; F950-R967 HydrophobicContact CG-CB 4.45Å |
| 951 | T | 90.5 | Very high | 85.6 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 171.7 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | I947 H948 I954 Q955 R967 | I947-T951 HydrophobicContact CG2-CG2 4.27Å; I947-T951 VanDerWaalsContact O-CG2 3.26Å; I947-T951 WeakPolarHBondContact O-CG2 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; H948-T951 PolarHBondContact O-N 3.04Å; H948-T951 PolarHBondContact O-OG1 3.21Å; T951-I954 PolarHBondContact O-N 3.07Å; T951-Q955 WeakPolarHBondContact O-CG 3.39Å; T951-Q955 PolarHBondContact O-N 3.38Å; T951-R967 VanDerWaalsContact CG2-NH1 3.34Å |
| 952 | T | 89.4 | Confident | 85.8 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | Y930 H948 A949 I954 Q955 Y956 | Y930-T952 WeakPolarHBondContact CD1-OG1 3.25Å; H948-T952 PolarHBondContact O-N 3.35Å; H948-T952 VanDerWaalsContact O-N 3.13Å; H948-T952 PolarHBondContact O-OG1 3.43Å; H948-T952 VanDerWaalsContact O-OG1 3.11Å; A949-T952 PolarHBondContact O-N 2.97Å; A949-T952 PolarHBondContact O-OG1 2.77Å; T952-I954 PolarHBondContact O-N 3.07Å; T952-Q955 PolarHBondContact O-N 3.04Å; T952-Y956 WeakPolarHBondContact O-CD2 3.45Å |
| 953 | F | 89.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -52.2 | 168.5 | -177.4 | -76.5 | 0 | 0 | 0 | 112 | A927 N931 A949 F950 Q955 Y956 N957 R960 V963 | A927-F953 HydrophobicContact CB-CD2 3.9Å; A927-F953 HydrophobicContact CB-CE2 3.75Å; A927-F953 HydrophobicContact CB-CG 4.45Å; A927-F953 HydrophobicContact CB-CZ 4.22Å; A927-F953 WeakPolarHBondContact O-CD2 3.44Å; A927-F953 WeakPolarHBondContact O-CE2 3.48Å; N931-F953 HydrophobicContact CB-CD2 3.61Å; N931-F953 HydrophobicContact CB-CE2 3.72Å; A949-F953 PolarHBondContact O-N 2.74Å; F950-F953 PolarHBondContact O-N 2.87Å; F953-Q955 PolarHBondContact O-N 3.23Å; F953-Y956 PolarHBondContact O-N 3.3Å; F953-N957 HydrophobicContact CE1-CB 3.94Å; F953-N957 WeakPolarHBondContact CE1-O 3.25Å; F953-N957 HydrophobicContact CZ-CB 4.06Å; F953-N957 PolarHBondContact O-N 3.02Å; F953-R960 HydrophobicContact CE1-CB 3.95Å; F953-R960 HydrophobicContact CE1-CG 4.19Å; F953-R960 HydrophobicContact CZ-CB 4.11Å; F953-R960 HydrophobicContact CZ-CG 3.95Å; F953-V963 HydrophobicContact CB-CG1 3.89Å; F953-V963 HydrophobicContact CD1-CB 3.77Å; F953-V963 HydrophobicContact CD1-CG1 3.61Å; F953-V963 HydrophobicContact CD1-CG2 3.6Å; F953-V963 HydrophobicContact CD2-CG2 4.08Å; F953-V963 HydrophobicContact CE1-CB 4.06Å; F953-V963 HydrophobicContact CE1-CG1 4.39Å; F953-V963 HydrophobicContact CE1-CG2 3.55Å; F953-V963 HydrophobicContact CE2-CG2 4.07Å; F953-V963 HydrophobicContact CG-CB 4.26Å; F953-V963 HydrophobicContact CG-CG1 3.75Å; F953-V963 HydrophobicContact CG-CG2 3.91Å; F953-V963 HydrophobicContact CZ-CG2 3.83Å |
| 954 | I | 87.2 | Confident | 86 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -30.8 | -173.4 | -72 | 163.4 | 0 | 0 | 0 | 111.3 | F950 T951 T952 Y956 V963 Y964 | F950-I954 WeakPolarHBondContact O-CD1 3.38Å; F950-I954 VanDerWaalsContact O-CG1 3.31Å; F950-I954 WeakPolarHBondContact O-CG1 3.48Å; F950-I954 PolarHBondContact O-N 2.93Å; F950-I954 VanDerWaalsContact O-N 3.15Å; T951-I954 PolarHBondContact O-N 3.07Å; T952-I954 PolarHBondContact O-N 3.07Å; I954-Y956 VanDerWaalsContact C-N 3.27Å; I954-Y956 PolarHBondContact O-N 3.06Å; I954-V963 HydrophobicContact CD1-CG1 4.26Å; I954-V963 HydrophobicContact CG1-CG1 4.06Å; I954-Y964 HydrophobicContact CD1-CD1 3.78Å; I954-Y964 HydrophobicContact CD1-CD2 4.43Å; I954-Y964 HydrophobicContact CD1-CE1 3.88Å; I954-Y964 HydrophobicContact CD1-CE2 4.5Å; I954-Y964 HydrophobicContact CD1-CG 4.08Å; I954-Y964 HydrophobicContact CG1-CD1 4.49Å; I954-Y964 HydrophobicContact CG1-CE1 4.25Å; I954-Y964 HydrophobicContact CG1-CE2 4.23Å; I954-Y964 HydrophobicContact CG2-CE1 3.93Å; I954-Y964 WeakPolarHBondContact CG2-OH 3.22Å |
| 955 | Q | 87.8 | Confident | 86 | Confident | 146 Ų | 146 | 41.4 Ų | 41.4 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.7 | -26.6 | 171.9 | -69.3 | 168.9 | -5.3 | 0 | 0 | 113.7 | T951 T952 F953 | T951-Q955 WeakPolarHBondContact O-CG 3.39Å; T951-Q955 PolarHBondContact O-N 3.38Å; T952-Q955 PolarHBondContact O-N 3.04Å; F953-Q955 PolarHBondContact O-N 3.23Å |
| 956 | Y | 86 | Confident | 85.9 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 34% | 0.341 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -97.9 | -34.4 | -180 | -68 | -59.6 | 0 | 0 | 0 | 113.9 | K923 K926 Y930 T952 F953 I954 | K923-Y956 HydrophobicContact CB-CD1 4.17Å; K923-Y956 HydrophobicContact CG-CD1 4.2Å; K926-Y956 HydrophobicContact CB-CD2 4.35Å; K926-Y956 HydrophobicContact CB-CE2 4.17Å; Y930-Y956 HydrophobicContact CD2-CD2 4.29Å; Y930-Y956 AromaticContact CD2-CE2 3.98Å; Y930-Y956 HydrophobicContact CD2-CE2 3.98Å; Y930-Y956 AromaticContact CE2-CE2 3.87Å; Y930-Y956 HydrophobicContact CE2-CE2 3.87Å; T952-Y956 WeakPolarHBondContact O-CD2 3.45Å; F953-Y956 PolarHBondContact O-N 3.3Å; I954-Y956 VanDerWaalsContact C-N 3.27Å; I954-Y956 PolarHBondContact O-N 3.06Å |
| 957 | N | 82.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 19% | 0.193 | 21% | 0.211 | C | C | . | . | trans | -145.9 | 85.7 | -176.5 | -170.4 | -12.2 | 0 | 0 | 0 | 112.5 | A927 F953 H959 | A927-N957 HydrophobicContact CB-CB 4.05Å; F953-N957 HydrophobicContact CE1-CB 3.94Å; F953-N957 WeakPolarHBondContact CE1-O 3.25Å; F953-N957 HydrophobicContact CZ-CB 4.06Å; F953-N957 PolarHBondContact O-N 3.02Å; N957-H959 PolarHBondContact O-N 2.95Å; N957-H959 PolarHBondContact OD1-N 3.21Å | ||
| 958 | P | 83.3 | Confident | 85.8 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1.5 | -176 | 31 | -36.9 | 0 | 0 | 0 | 114.6 | Y964 L1003 | P958-Y964 WeakPolarHBondContact O-CE2 3.36Å; P958-Y964 PolarHBondContact O-OH 3.36Å; P958-L1003 VanDerWaalsContact O-CD1 3.29Å; P958-L1003 WeakPolarHBondContact O-CD1 3.42Å |
| 959 | H | 81.3 | Confident | 85.6 | Confident | 136 Ų | 136 | 39.1 Ų | 39.1 | 63% | 0.63 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.7 | -172.1 | -60.7 | -58 | 0 | 0 | 0 | 115 | N957 | N957-H959 PolarHBondContact O-N 2.95Å; N957-H959 PolarHBondContact OD1-N 3.21Å |
| 960 | R | 78 | Confident | 85.3 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 22% | 0.219 | 18% | 0.183 | C | C | . | . | trans | -102.2 | 107.1 | -179.2 | -65.6 | -67.7 | -155.9 | 161.9 | 7.7 | 111.2 | F953 H962 V963 | F953-R960 HydrophobicContact CE1-CB 3.95Å; F953-R960 HydrophobicContact CE1-CG 4.19Å; F953-R960 HydrophobicContact CZ-CB 4.11Å; F953-R960 HydrophobicContact CZ-CG 3.95Å; R960-H962 VanDerWaalsContact C-N 3.3Å; R960-H962 VanDerWaalsContact CB-CE1 3.45Å; R960-H962 WeakPolarHBondContact CB-CE1 3.08Å; R960-H962 WeakPolarHBondContact CD-CE1 3.44Å; R960-H962 VanDerWaalsContact CG-CE1 3.42Å; R960-H962 WeakPolarHBondContact CG-CE1 3.45Å; R960-H962 PolarHBondContact O-N 3.2Å; R960-V963 PolarHBondContact O-N 3.34Å | ||
| 961 | P | 80.8 | Confident | 85 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -28.5 | -173.9 | 24.8 | -34.2 | 0 | 0 | 0 | 114.1 | V963 Y964 L965 A1000 L1003 I1004 | P961-V963 VanDerWaalsContact C-N 3.26Å; P961-V963 PolarHBondContact O-N 3.09Å; P961-Y964 PolarHBondContact O-N 2.95Å; P961-L965 PolarHBondContact O-N 2.95Å; P961-A1000 HydrophobicContact CB-CB 4.36Å; P961-A1000 WeakPolarHBondContact CB-O 3.25Å; P961-L1003 HydrophobicContact CB-CB 3.99Å; P961-L1003 HydrophobicContact CB-CD1 4.49Å; P961-I1004 HydrophobicContact CB-CD1 4.19Å; P961-I1004 HydrophobicContact CB-CG1 3.8Å; P961-I1004 HydrophobicContact CG-CG1 3.88Å |
| 962 | H | 79.8 | Confident | 84.6 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 19% | 0.185 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -25.7 | -176.2 | 66.8 | -95.1 | 0 | 0 | 0 | 113.6 | N931 R960 L965 Y966 | N931-H962 PolarHBondContact ND2-NE2 2.93Å; N931-H962 PolarHBondContact OD1-NE2 3.13Å; R960-H962 VanDerWaalsContact C-N 3.3Å; R960-H962 VanDerWaalsContact CB-CE1 3.45Å; R960-H962 WeakPolarHBondContact CB-CE1 3.08Å; R960-H962 WeakPolarHBondContact CD-CE1 3.44Å; R960-H962 VanDerWaalsContact CG-CE1 3.42Å; R960-H962 WeakPolarHBondContact CG-CE1 3.45Å; R960-H962 PolarHBondContact O-N 3.2Å; H962-L965 PolarHBondContact O-N 3.25Å; H962-Y966 AromaticContact CD2-CE2 3.7Å; H962-Y966 WeakPolarHBondContact O-CD2 3.46Å; H962-Y966 VanDerWaalsContact O-CG 3.27Å; H962-Y966 PolarHBondContact O-N 3.45Å |
| 963 | V | 84.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.7 | -37.3 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | F950 F953 I954 R960 P961 L965 Y966 R967 | F950-V963 HydrophobicContact CB-CG1 3.84Å; F950-V963 HydrophobicContact CD1-CG1 3.65Å; F950-V963 HydrophobicContact CG-CG1 4.06Å; F953-V963 HydrophobicContact CB-CG1 3.89Å; F953-V963 HydrophobicContact CD1-CB 3.77Å; F953-V963 HydrophobicContact CD1-CG1 3.61Å; F953-V963 HydrophobicContact CD1-CG2 3.6Å; F953-V963 HydrophobicContact CD2-CG2 4.08Å; F953-V963 HydrophobicContact CE1-CB 4.06Å; F953-V963 HydrophobicContact CE1-CG1 4.39Å; F953-V963 HydrophobicContact CE1-CG2 3.55Å; F953-V963 HydrophobicContact CE2-CG2 4.07Å; F953-V963 HydrophobicContact CG-CB 4.26Å; F953-V963 HydrophobicContact CG-CG1 3.75Å; F953-V963 HydrophobicContact CG-CG2 3.91Å; F953-V963 HydrophobicContact CZ-CG2 3.83Å; I954-V963 HydrophobicContact CD1-CG1 4.26Å; I954-V963 HydrophobicContact CG1-CG1 4.06Å; R960-V963 PolarHBondContact O-N 3.34Å; P961-V963 VanDerWaalsContact C-N 3.26Å; P961-V963 PolarHBondContact O-N 3.09Å; V963-L965 VanDerWaalsContact C-N 3.28Å; V963-L965 PolarHBondContact O-N 3.34Å; V963-Y966 PolarHBondContact O-N 2.99Å; V963-R967 WeakPolarHBondContact O-CB 3.47Å; V963-R967 PolarHBondContact O-N 3.32Å |
| 964 | Y | 87.2 | Confident | 83.4 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 169.8 | -67.6 | -91.4 | 0 | 0 | 0 | 110.6 | I954 P958 P961 R967 A968 D996 Q999 L1003 | I954-Y964 HydrophobicContact CD1-CD1 3.78Å; I954-Y964 HydrophobicContact CD1-CD2 4.43Å; I954-Y964 HydrophobicContact CD1-CE1 3.88Å; I954-Y964 HydrophobicContact CD1-CE2 4.5Å; I954-Y964 HydrophobicContact CD1-CG 4.08Å; I954-Y964 HydrophobicContact CG1-CD1 4.49Å; I954-Y964 HydrophobicContact CG1-CE1 4.25Å; I954-Y964 HydrophobicContact CG1-CE2 4.23Å; I954-Y964 HydrophobicContact CG2-CE1 3.93Å; I954-Y964 WeakPolarHBondContact CG2-OH 3.22Å; P958-Y964 WeakPolarHBondContact O-CE2 3.36Å; P958-Y964 PolarHBondContact O-OH 3.36Å; P961-Y964 PolarHBondContact O-N 2.95Å; Y964-R967 PolarHBondContact O-N 3.34Å; Y964-A968 WeakPolarHBondContact O-CB 3.38Å; Y964-A968 PolarHBondContact O-N 3.12Å; Y964-D996 WeakPolarHBondContact CB-O 3.29Å; Y964-D996 HydrophobicContact CD1-CB 4.49Å; Y964-D996 WeakPolarHBondContact CD1-OD1 3.49Å; Y964-Q999 HydrophobicContact CD1-CB 3.71Å; Y964-Q999 HydrophobicContact CD1-CG 4.34Å; Y964-Q999 HydrophobicContact CE1-CB 3.75Å; Y964-Q999 HydrophobicContact CE1-CG 4.08Å; Y964-Q999 HydrophobicContact CG-CB 4.14Å; Y964-L1003 HydrophobicContact CD2-CD1 3.89Å; Y964-L1003 HydrophobicContact CE2-CD1 3.58Å |
| 965 | L | 84.8 | Confident | 83 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 174 | 174.5 | 60.8 | 0 | 0 | 0 | 112.5 | P961 H962 V963 R967 A968 Q969 I1025 Q1028 T1032 | P961-L965 PolarHBondContact O-N 2.95Å; H962-L965 PolarHBondContact O-N 3.25Å; V963-L965 VanDerWaalsContact C-N 3.28Å; V963-L965 PolarHBondContact O-N 3.34Å; L965-R967 VanDerWaalsContact C-N 3.35Å; L965-R967 PolarHBondContact O-N 3.45Å; L965-A968 PolarHBondContact O-N 3.08Å; L965-Q969 HydrophobicContact CD1-CG 4.21Å; L965-Q969 WeakPolarHBondContact O-CB 3.43Å; L965-Q969 VanDerWaalsContact O-CG 3.32Å; L965-Q969 WeakPolarHBondContact O-CG 3.2Å; L965-Q969 PolarHBondContact O-N 3.24Å; L965-I1025 HydrophobicContact CD2-CG2 3.94Å; L965-Q1028 HydrophobicContact CD1-CB 4.37Å; L965-Q1028 HydrophobicContact CD2-CB 3.67Å; L965-T1032 HydrophobicContact CD1-CG2 3.9Å |
| 966 | Y | 85.5 | Confident | 82 | Confident | 64 Ų | 64 | 30.2 Ų | 30.2 | 25% | 0.251 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 177.5 | -60.9 | -29.2 | 0 | 0 | 0 | 113 | Q935 F950 H962 V963 Q969 S970 | Q935-Y966 HydrophobicContact CG-CD2 4.18Å; Q935-Y966 HydrophobicContact CG-CE2 4.07Å; F950-Y966 HydrophobicContact CE1-CD2 4.02Å; F950-Y966 HydrophobicContact CE1-CG 4.44Å; F950-Y966 VanDerWaalsContact CZ-CB 3.42Å; F950-Y966 HydrophobicContact CZ-CD2 4.07Å; F950-Y966 HydrophobicContact CZ-CG 4.13Å; H962-Y966 AromaticContact CD2-CE2 3.7Å; H962-Y966 WeakPolarHBondContact O-CD2 3.46Å; H962-Y966 VanDerWaalsContact O-CG 3.27Å; H962-Y966 PolarHBondContact O-N 3.45Å; V963-Y966 PolarHBondContact O-N 2.99Å; Y966-Q969 PolarHBondContact O-N 2.93Å; Y966-S970 WeakPolarHBondContact O-CB 3.39Å; Y966-S970 PolarHBondContact O-N 3.4Å; Y966-S970 PolarHBondContact O-OG 2.9Å |
| 967 | R | 88.2 | Confident | 81.1 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 171.8 | -167.7 | 166.1 | 74.6 | 174.6 | 6.1 | 111.4 | I947 F950 T951 V963 Y964 L965 S970 A971 D996 | I947-R967 HydrophobicContact CG2-CG 4.29Å; F950-R967 HydrophobicContact CB-CB 3.83Å; F950-R967 HydrophobicContact CB-CG 4.18Å; F950-R967 HydrophobicContact CD2-CB 4.36Å; F950-R967 HydrophobicContact CG-CB 4.45Å; T951-R967 VanDerWaalsContact CG2-NH1 3.34Å; V963-R967 WeakPolarHBondContact O-CB 3.47Å; V963-R967 PolarHBondContact O-N 3.32Å; Y964-R967 PolarHBondContact O-N 3.34Å; L965-R967 VanDerWaalsContact C-N 3.35Å; L965-R967 PolarHBondContact O-N 3.45Å; R967-S970 PolarHBondContact O-N 3.25Å; R967-A971 WeakPolarHBondContact O-CB 3.27Å; R967-A971 PolarHBondContact O-N 2.93Å; R967-D996 WeakPolarHBondContact CB-OD2 3.39Å; R967-D996 WeakPolarHBondContact CG-OD2 3.46Å; R967-D996 IonicContact CZ-OD1 2.63Å; R967-D996 IonicContact CZ-OD2 3.09Å; R967-D996 IonicContact NE-OD1 3.98Å; R967-D996 PolarHBondContact NE-OD1 2.96Å; R967-D996 IonicContact NE-OD2 2.69Å; R967-D996 PolarHBondContact NE-OD2 2.85Å; R967-D996 IonicContact NH2-OD1 3.08Å; R967-D996 PolarHBondContact NH2-OD1 3.48Å; R967-D996 IonicContact NH2-OD2 3.38Å |
| 968 | A | 86.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y964 L965 A971 C972 V993 D996 I997 | Y964-A968 WeakPolarHBondContact O-CB 3.38Å; Y964-A968 PolarHBondContact O-N 3.12Å; L965-A968 PolarHBondContact O-N 3.08Å; A968-A971 PolarHBondContact O-N 3.17Å; A968-C972 WeakPolarHBondContact O-CB 3.4Å; A968-C972 PolarHBondContact O-N 2.85Å; A968-C972 PolarHBondContact O-SG 2.9Å; A968-V993 HydrophobicContact CB-CG1 4.29Å; A968-D996 HydrophobicContact CB-CB 3.98Å; A968-I997 HydrophobicContact CB-CD1 4.26Å; A968-I997 HydrophobicContact CB-CG1 3.85Å |
| 969 | Q | 84.6 | Confident | 79.3 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.1 | -75.8 | 175 | -3.6 | 0 | 0 | 112.1 | M938 L965 Y966 C972 R973 T1032 | M938-Q969 HydrophobicContact CE-CB 3.8Å; L965-Q969 HydrophobicContact CD1-CG 4.21Å; L965-Q969 WeakPolarHBondContact O-CB 3.43Å; L965-Q969 VanDerWaalsContact O-CG 3.32Å; L965-Q969 WeakPolarHBondContact O-CG 3.2Å; L965-Q969 PolarHBondContact O-N 3.24Å; Y966-Q969 PolarHBondContact O-N 2.93Å; Q969-C972 PolarHBondContact O-N 3.41Å; Q969-R973 PolarHBondContact O-N 3.13Å; Q969-R973 VanDerWaalsContact O-N 3.12Å; Q969-T1032 HydrophobicContact CG-CG2 3.4Å |
| 970 | S | 83.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111 | M938 Y966 R967 R973 L974 | M938-S970 VanDerWaalsContact CG-OG 3.27Å; M938-S970 WeakPolarHBondContact CG-OG 3.48Å; M938-S970 PolarHBondContact SD-OG 2.95Å; Y966-S970 WeakPolarHBondContact O-CB 3.39Å; Y966-S970 PolarHBondContact O-N 3.4Å; Y966-S970 PolarHBondContact O-OG 2.9Å; R967-S970 PolarHBondContact O-N 3.25Å; S970-R973 PolarHBondContact O-N 3.09Å; S970-L974 WeakPolarHBondContact O-CB 3.47Å; S970-L974 PolarHBondContact O-N 3.01Å |
| 971 | A | 85.3 | Confident | 76.8 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 7% | 0.066 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I947 R967 A968 R973 L974 I975 F989 V993 | I947-A971 HydrophobicContact CD1-CB 3.96Å; R967-A971 WeakPolarHBondContact O-CB 3.27Å; R967-A971 PolarHBondContact O-N 2.93Å; A968-A971 PolarHBondContact O-N 3.17Å; A971-R973 VanDerWaalsContact C-N 3.31Å; A971-R973 PolarHBondContact O-N 3.43Å; A971-L974 PolarHBondContact O-N 3.38Å; A971-I975 WeakPolarHBondContact O-CD1 3.06Å; A971-I975 VanDerWaalsContact O-CG1 3.27Å; A971-I975 WeakPolarHBondContact O-CG1 3.42Å; A971-I975 PolarHBondContact O-N 3.41Å; A971-F989 HydrophobicContact CB-CZ 4.06Å; A971-V993 HydrophobicContact CB-CG2 3.64Å |
| 972 | C | 81.9 | Confident | 75.4 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -43.6 | 174.3 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | A968 Q969 A976 V993 | A968-C972 WeakPolarHBondContact O-CB 3.4Å; A968-C972 PolarHBondContact O-N 2.85Å; A968-C972 PolarHBondContact O-SG 2.9Å; Q969-C972 PolarHBondContact O-N 3.41Å; C972-A976 PolarHBondContact O-N 3.48Å; C972-V993 WeakPolarHBondContact SG-CG1 3.42Å |
| 973 | R | 74.3 | Confident | 74.4 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.5 | -71.2 | -174.8 | -175.6 | 165.3 | 5.5 | 112.3 | Y182 W248 Y943 Q969 S970 A971 I975 A976 L977 | Y182-R973 PolarHBondContact OH-NE 3.14Å; W248-R973 VanDerWaalsContact CD2-NH2 3.28Å; Y943-R973 HydrophobicContact CD1-CB 4.32Å; Y943-R973 HydrophobicContact CD2-CB 4.12Å; Y943-R973 HydrophobicContact CE1-CB 4.21Å; Y943-R973 VanDerWaalsContact CE1-CD 3.49Å; Y943-R973 HydrophobicContact CE2-CB 3.99Å; Y943-R973 HydrophobicContact CG-CB 4.29Å; Y943-R973 VanDerWaalsContact OH-CD 3.28Å; Y943-R973 WeakPolarHBondContact OH-CD 3.48Å; Y943-R973 PolarHBondContact OH-NH1 3.37Å; Y943-R973 VanDerWaalsContact OH-NH1 3.15Å; Q969-R973 PolarHBondContact O-N 3.13Å; Q969-R973 VanDerWaalsContact O-N 3.12Å; S970-R973 PolarHBondContact O-N 3.09Å; A971-R973 VanDerWaalsContact C-N 3.31Å; A971-R973 PolarHBondContact O-N 3.43Å; R973-I975 VanDerWaalsContact C-N 3.33Å; R973-I975 PolarHBondContact O-N 2.98Å; R973-A976 WeakPolarHBondContact O-CB 3.27Å; R973-A976 PolarHBondContact O-N 3.07Å; R973-A976 VanDerWaalsContact O-N 3.14Å; R973-L977 WeakPolarHBondContact O-CG 3.4Å; R973-L977 PolarHBondContact O-N 3.24Å |
| 974 | L | 79.2 | Confident | 73.2 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 177.8 | -137.2 | 163.5 | 0 | 0 | 0 | 111.6 | L944 I947 S970 A971 L977 Q978 L985 F989 | L944-L974 HydrophobicContact CB-CD1 4.48Å; L944-L974 HydrophobicContact CD2-CD1 3.65Å; L944-L974 HydrophobicContact CD2-CD2 4.4Å; L944-L974 HydrophobicContact CG-CD1 3.87Å; I947-L974 HydrophobicContact CD1-CD1 3.6Å; S970-L974 WeakPolarHBondContact O-CB 3.47Å; S970-L974 PolarHBondContact O-N 3.01Å; A971-L974 PolarHBondContact O-N 3.38Å; L974-L977 PolarHBondContact O-N 2.98Å; L974-Q978 PolarHBondContact O-N 2.9Å; L974-L985 HydrophobicContact CD2-CD2 3.43Å; L974-L985 VanDerWaalsContact CD2-CD2 3.43Å; L974-F989 HydrophobicContact CD1-CE2 4.08Å |
| 975 | I | 77.9 | Confident | 72.1 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -38 | 172.8 | -62.5 | 162.4 | 0 | 0 | 0 | 110.7 | A971 R973 Q978 H979 F989 D991 V993 Y1036 I1039 | A971-I975 WeakPolarHBondContact O-CD1 3.06Å; A971-I975 VanDerWaalsContact O-CG1 3.27Å; A971-I975 WeakPolarHBondContact O-CG1 3.42Å; A971-I975 PolarHBondContact O-N 3.41Å; R973-I975 VanDerWaalsContact C-N 3.33Å; R973-I975 PolarHBondContact O-N 2.98Å; I975-Q978 WeakPolarHBondContact O-CB 3.27Å; I975-Q978 PolarHBondContact O-N 3.43Å; I975-H979 PolarHBondContact O-CD2 2.86Å; I975-H979 PolarHBondContact O-N 3.24Å; I975-H979 VanDerWaalsContact O-N 3.11Å; I975-F989 HydrophobicContact CD1-CE1 4.22Å; I975-F989 HydrophobicContact CG1-CE1 4.01Å; I975-F989 HydrophobicContact CG1-CZ 4.46Å; I975-D991 WeakPolarHBondContact CD1-OD1 3.46Å; I975-V993 HydrophobicContact CD1-CG2 4.18Å; I975-Y1036 HydrophobicContact CD1-CD2 4.47Å; I975-Y1036 HydrophobicContact CD1-CE2 3.91Å; I975-I1039 HydrophobicContact CG2-CG2 4.09Å |
| 976 | A | 67.9 | Low | 71.2 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V178 C972 R973 Q978 H979 Q980 I1039 | V178-A976 HydrophobicContact CG1-CB 3.97Å; C972-A976 PolarHBondContact O-N 3.48Å; R973-A976 WeakPolarHBondContact O-CB 3.27Å; R973-A976 PolarHBondContact O-N 3.07Å; R973-A976 VanDerWaalsContact O-N 3.14Å; A976-Q978 VanDerWaalsContact C-N 3.26Å; A976-Q978 PolarHBondContact O-N 3.02Å; A976-H979 WeakPolarHBondContact O-CB 3.38Å; A976-H979 PolarHBondContact O-N 3.48Å; A976-Q980 WeakPolarHBondContact O-CG 3.34Å; A976-Q980 PolarHBondContact O-N 3.17Å; A976-I1039 HydrophobicContact CB-CD1 3.98Å |
| 977 | L | 67.3 | Low | 69.8 | Low | 30 Ų | 30 | 44.6 Ų | 44.6 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -34.1 | 176.2 | -66.2 | -179.4 | 0 | 0 | 0 | 112.6 | Y943 R973 L974 Q980 G981 E982 T983 | Y943-L977 HydrophobicContact CD2-CD1 3.84Å; Y943-L977 HydrophobicContact CE2-CD1 3.96Å; R973-L977 WeakPolarHBondContact O-CG 3.4Å; R973-L977 PolarHBondContact O-N 3.24Å; L974-L977 PolarHBondContact O-N 2.98Å; L977-Q980 CarbonylContact O-C 3.58Å; L977-Q980 PolarHBondContact O-N 3.31Å; L977-G981 PolarHBondContact O-N 2.9Å; L977-G981 VanDerWaalsContact O-N 3.12Å; L977-E982 WeakPolarHBondContact CD2-OE2 3.5Å; L977-E982 PolarHBondContact O-N 3.28Å; L977-E982 VanDerWaalsContact O-N 3.09Å; L977-T983 HydrophobicContact CB-CG2 4.12Å; L977-T983 WeakPolarHBondContact CB-OG1 3.42Å; L977-T983 HydrophobicContact CD1-CG2 4.16Å |
| 978 | Q | 67.3 | Low | 68.5 | Low | 79 Ų | 79 | 50.2 Ų | 50.2 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.1 | -171.9 | -160.5 | 8.4 | 0 | 0 | 111.8 | L974 I975 A976 Q980 G981 T983 L985 | L974-Q978 PolarHBondContact O-N 2.9Å; I975-Q978 WeakPolarHBondContact O-CB 3.27Å; I975-Q978 PolarHBondContact O-N 3.43Å; A976-Q978 VanDerWaalsContact C-N 3.26Å; A976-Q978 PolarHBondContact O-N 3.02Å; Q978-Q980 VanDerWaalsContact C-N 3.28Å; Q978-Q980 PolarHBondContact O-N 3.46Å; Q978-G981 PolarHBondContact O-N 3.35Å; Q978-G981 VanDerWaalsContact O-N 3.14Å; Q978-T983 WeakPolarHBondContact CA-O 3.48Å; Q978-T983 PolarHBondContact N-OG1 3.48Å; Q978-L985 HydrophobicContact CB-CG 4.49Å; Q978-L985 HydrophobicContact CG-CG 4.12Å |
| 979 | H | 59.9 | Low | 67.5 | Low | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -28.9 | 175.5 | -77.8 | -69.3 | 0 | 0 | 0 | 113 | I975 A976 G981 I1039 | I975-H979 PolarHBondContact O-CD2 2.86Å; I975-H979 PolarHBondContact O-N 3.24Å; I975-H979 VanDerWaalsContact O-N 3.11Å; A976-H979 WeakPolarHBondContact O-CB 3.38Å; A976-H979 PolarHBondContact O-N 3.48Å; H979-G981 VanDerWaalsContact C-N 3.27Å; H979-I1039 WeakPolarHBondContact CD2-CG2 3.33Å |
| 980 | Q | 52.6 | Low | 66.6 | Low | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.2 | 172.9 | -64.6 | 177.2 | -91.1 | 0 | 0 | 113.4 | S253 L254 F255 A976 L977 Q978 E982 | S253-Q980 PolarHBondContact O-NE2 3.01Å; S253-Q980 VanDerWaalsContact O-NE2 3.07Å; L254-Q980 WeakPolarHBondContact CB-O 3.48Å; F255-Q980 WeakPolarHBondContact CD2-O 2.93Å; A976-Q980 WeakPolarHBondContact O-CG 3.34Å; A976-Q980 PolarHBondContact O-N 3.17Å; L977-Q980 CarbonylContact O-C 3.58Å; L977-Q980 PolarHBondContact O-N 3.31Å; Q978-Q980 VanDerWaalsContact C-N 3.28Å; Q978-Q980 PolarHBondContact O-N 3.46Å; Q980-E982 VanDerWaalsContact C-N 3.29Å; Q980-E982 HydrophobicContact CB-CG 4.4Å; Q980-E982 PolarHBondContact O-N 3Å |
| 981 | G | 53 | Low | 65.9 | Low | 30 Ų | 30 | 60.1 Ų | 60.1 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -13.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L977 Q978 H979 T983 | L977-G981 PolarHBondContact O-N 2.9Å; L977-G981 VanDerWaalsContact O-N 3.12Å; Q978-G981 PolarHBondContact O-N 3.35Å; Q978-G981 VanDerWaalsContact O-N 3.14Å; H979-G981 VanDerWaalsContact C-N 3.27Å; G981-T983 VanDerWaalsContact C-N 3.28Å; G981-T983 PolarHBondContact O-N 3.49Å |
| 982 | E | 52.6 | Low | 65.6 | Low | 65 Ų | 65 | 63 Ų | 63 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -64.6 | -25.8 | -172.8 | -60 | -156.4 | 136.3 | 0 | 0 | 114.3 | L977 Q980 T1179 | L977-E982 WeakPolarHBondContact CD2-OE2 3.5Å; L977-E982 PolarHBondContact O-N 3.28Å; L977-E982 VanDerWaalsContact O-N 3.09Å; Q980-E982 VanDerWaalsContact C-N 3.29Å; Q980-E982 HydrophobicContact CB-CG 4.4Å; Q980-E982 PolarHBondContact O-N 3Å; E982-T1179 VanDerWaalsContact OE1-CG2 3.25Å; E982-T1179 WeakPolarHBondContact OE1-CG2 3.38Å |
| 983 | T | 58.1 | Low | 65.7 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | trans | -136.6 | 129.1 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 114 | L977 Q978 G981 | L977-T983 HydrophobicContact CB-CG2 4.12Å; L977-T983 WeakPolarHBondContact CB-OG1 3.42Å; L977-T983 HydrophobicContact CD1-CG2 4.16Å; Q978-T983 WeakPolarHBondContact CA-O 3.48Å; Q978-T983 PolarHBondContact N-OG1 3.48Å; G981-T983 VanDerWaalsContact C-N 3.28Å; G981-T983 PolarHBondContact O-N 3.49Å | ||
| 984 | I | 61.1 | Low | 66.3 | Low | 162 Ų | 162 | 64.1 Ų | 64.1 | 83% | 0.831 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 127.1 | 167.7 | -58.1 | 173.7 | 0 | 0 | 0 | 108.7 | ||
| 985 | L | 64 | Low | 66.7 | Low | 35 Ų | 35 | 68.6 Ų | 68.6 | 18% | 0.183 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67 | 142.6 | 171.9 | -68.6 | -174.7 | 0 | 0 | 0 | 111 | L974 Q978 F989 | L974-L985 HydrophobicContact CD2-CD2 3.43Å; L974-L985 VanDerWaalsContact CD2-CD2 3.43Å; Q978-L985 HydrophobicContact CB-CG 4.49Å; Q978-L985 HydrophobicContact CG-CG 4.12Å; L985-F989 HydrophobicContact CB-CB 4.37Å; L985-F989 HydrophobicContact CD1-CB 4.35Å; L985-F989 HydrophobicContact CD1-CD1 3.79Å; L985-F989 HydrophobicContact CD1-CE1 4.41Å; L985-F989 HydrophobicContact CD1-CG 4.24Å; L985-F989 HydrophobicContact CD2-CD1 4.07Å; L985-F989 HydrophobicContact CD2-CD2 4.31Å; L985-F989 HydrophobicContact CD2-CE1 4.29Å; L985-F989 HydrophobicContact CD2-CG 4.07Å |
| 986 | P | 64.5 | Low | 67.2 | Low | 59 Ų | 59 | 68.5 Ų | 68.5 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 141.7 | 164.8 | 30 | -32.7 | 0 | 0 | 0 | 110.1 | L944 N988 F989 | L944-P986 HydrophobicContact CD2-CG 4Å; P986-N988 PolarHBondContact O-N 3.42Å; P986-F989 HydrophobicContact CG-CB 4.31Å; P986-F989 VanDerWaalsContact O-CB 3.29Å; P986-F989 WeakPolarHBondContact O-CB 3.34Å; P986-F989 PolarHBondContact O-N 2.91Å |
| 987 | D | 57.1 | Low | 68.1 | Low | 169 Ų | 169 | 68.1 Ų | 68.1 | 90% | 0.904 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.9 | -173.6 | -57.5 | -49.9 | 0 | 0 | 0 | 115 | ||
| 988 | N | 60.2 | Low | 69 | Low | 154 Ų | 154 | 69 Ų | 69 | 82% | 0.824 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 13.4 | 179.3 | -64.9 | -44 | 0 | 0 | 0 | 114 | P986 N990 | P986-N988 PolarHBondContact O-N 3.42Å; N988-N990 PolarHBondContact O-N 2.76Å |
| 989 | F | 64.9 | Low | 69.9 | Low | 38 Ų | 38 | 69.4 Ų | 69.4 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | trans | -78.9 | 109.5 | -179.2 | -168.4 | -91.2 | 0 | 0 | 0 | 112 | I947 A971 L974 I975 L985 P986 D991 | I947-F989 HydrophobicContact CD1-CE2 3.76Å; I947-F989 HydrophobicContact CD1-CZ 4.2Å; A971-F989 HydrophobicContact CB-CZ 4.06Å; L974-F989 HydrophobicContact CD1-CE2 4.08Å; I975-F989 HydrophobicContact CD1-CE1 4.22Å; I975-F989 HydrophobicContact CG1-CE1 4.01Å; I975-F989 HydrophobicContact CG1-CZ 4.46Å; L985-F989 HydrophobicContact CB-CB 4.37Å; L985-F989 HydrophobicContact CD1-CB 4.35Å; L985-F989 HydrophobicContact CD1-CD1 3.79Å; L985-F989 HydrophobicContact CD1-CE1 4.41Å; L985-F989 HydrophobicContact CD1-CG 4.24Å; L985-F989 HydrophobicContact CD2-CD1 4.07Å; L985-F989 HydrophobicContact CD2-CD2 4.31Å; L985-F989 HydrophobicContact CD2-CE1 4.29Å; L985-F989 HydrophobicContact CD2-CG 4.07Å; P986-F989 HydrophobicContact CG-CB 4.31Å; P986-F989 VanDerWaalsContact O-CB 3.29Å; P986-F989 WeakPolarHBondContact O-CB 3.34Å; P986-F989 PolarHBondContact O-N 2.91Å; F989-D991 WeakPolarHBondContact CE1-OD1 3.26Å | ||
| 990 | N | 65.8 | Low | 71.1 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | trans | -98.3 | 129.6 | 174.1 | -74.7 | -16.6 | 0 | 0 | 0 | 111.5 | N988 N992 | N988-N990 PolarHBondContact O-N 2.76Å; N990-N992 PolarHBondContact O-N 2.96Å | ||
| 991 | D | 69.8 | Low | 72.5 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | trans | -70.5 | 59.8 | -179.8 | -74.1 | -22.5 | 0 | 0 | 0 | 114.3 | I975 F989 V993 | I975-D991 WeakPolarHBondContact CD1-OD1 3.46Å; F989-D991 WeakPolarHBondContact CE1-OD1 3.26Å; D991-V993 PolarHBondContact O-N 3.45Å | ||
| 992 | N | 78.8 | Confident | 74 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 8.7 | -178.5 | -61.3 | -24.3 | 0 | 0 | 0 | 114.2 | N990 L994 D995 D996 | N990-N992 PolarHBondContact O-N 2.96Å; N992-L994 PolarHBondContact O-N 3.39Å; N992-D995 PolarHBondContact O-N 3.4Å; N992-D996 PolarHBondContact O-N 2.85Å |
| 993 | V | 83.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.4 | -48.8 | -173.8 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | A968 A971 C972 I975 D991 I997 Y1036 | A968-V993 HydrophobicContact CB-CG1 4.29Å; A971-V993 HydrophobicContact CB-CG2 3.64Å; C972-V993 WeakPolarHBondContact SG-CG1 3.42Å; I975-V993 HydrophobicContact CD1-CG2 4.18Å; D991-V993 PolarHBondContact O-N 3.45Å; V993-I997 HydrophobicContact CG1-CD1 3.91Å; V993-I997 WeakPolarHBondContact O-CD1 3.49Å; V993-I997 VanDerWaalsContact O-CG1 3.28Å; V993-I997 WeakPolarHBondContact O-CG1 3.46Å; V993-I997 PolarHBondContact O-N 3.35Å; V993-I997 VanDerWaalsContact O-N 3.09Å; V993-Y1036 HydrophobicContact CB-CD2 3.94Å; V993-Y1036 HydrophobicContact CB-CE2 3.8Å; V993-Y1036 HydrophobicContact CB-CG 4.44Å; V993-Y1036 HydrophobicContact CG1-CD1 4.36Å; V993-Y1036 HydrophobicContact CG1-CD2 3.62Å; V993-Y1036 HydrophobicContact CG1-CE2 4.02Å; V993-Y1036 HydrophobicContact CG1-CG 3.79Å; V993-Y1036 HydrophobicContact CG2-CD2 4.03Å; V993-Y1036 HydrophobicContact CG2-CE2 3.81Å |
| 994 | L | 86.7 | Confident | 76.1 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | -177.6 | -68.7 | 178.8 | 0 | 0 | 0 | 112 | N992 S998 R1033 Y1036 F1037 | N992-L994 PolarHBondContact O-N 3.39Å; L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.15Å; L994-R1033 HydrophobicContact CD2-CG 3.87Å; L994-Y1036 HydrophobicContact CD1-CD1 4.4Å; L994-Y1036 HydrophobicContact CD1-CE1 3.82Å; L994-Y1036 HydrophobicContact CD2-CD1 3.76Å; L994-Y1036 HydrophobicContact CD2-CE1 3.97Å; L994-Y1036 HydrophobicContact CG-CD1 3.96Å; L994-Y1036 HydrophobicContact CG-CE1 3.61Å; L994-F1037 HydrophobicContact CD1-CE1 3.9Å; L994-F1037 HydrophobicContact CD1-CZ 3.84Å; L994-F1037 HydrophobicContact CD2-CE1 4.21Å; L994-F1037 HydrophobicContact CD2-CE2 4.13Å; L994-F1037 HydrophobicContact CD2-CZ 3.68Å; L994-F1037 HydrophobicContact CG-CZ 4.44Å |
| 995 | D | 87.4 | Confident | 76.7 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 178.1 | -67.7 | -8.9 | 0 | 0 | 0 | 110 | N992 I997 S998 Q999 | N992-D995 PolarHBondContact O-N 3.4Å; D995-I997 PolarHBondContact O-N 3.26Å; D995-S998 WeakPolarHBondContact O-CA 3.47Å; D995-S998 WeakPolarHBondContact O-CB 3.35Å; D995-S998 PolarHBondContact O-N 3.07Å; D995-S998 VanDerWaalsContact O-N 3.11Å; D995-S998 PolarHBondContact O-OG 2.97Å; D995-Q999 WeakPolarHBondContact O-CG 3.29Å; D995-Q999 PolarHBondContact O-N 3.18Å |
| 996 | D | 87.6 | Confident | 76.9 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.4 | -80.7 | -12.8 | 0 | 0 | 0 | 112.6 | Y964 R967 A968 N992 S998 Q999 A1000 | Y964-D996 WeakPolarHBondContact CB-O 3.29Å; Y964-D996 HydrophobicContact CD1-CB 4.49Å; Y964-D996 WeakPolarHBondContact CD1-OD1 3.49Å; R967-D996 WeakPolarHBondContact CB-OD2 3.39Å; R967-D996 WeakPolarHBondContact CG-OD2 3.46Å; R967-D996 IonicContact CZ-OD1 2.63Å; R967-D996 IonicContact CZ-OD2 3.09Å; R967-D996 IonicContact NE-OD1 3.98Å; R967-D996 PolarHBondContact NE-OD1 2.96Å; R967-D996 IonicContact NE-OD2 2.69Å; R967-D996 PolarHBondContact NE-OD2 2.85Å; R967-D996 IonicContact NH2-OD1 3.08Å; R967-D996 PolarHBondContact NH2-OD1 3.48Å; R967-D996 IonicContact NH2-OD2 3.38Å; A968-D996 HydrophobicContact CB-CB 3.98Å; N992-D996 PolarHBondContact O-N 2.85Å; D996-S998 VanDerWaalsContact C-N 3.25Å; D996-S998 PolarHBondContact O-N 3.47Å; D996-Q999 PolarHBondContact O-N 3.01Å; D996-A1000 WeakPolarHBondContact O-CB 3.45Å; D996-A1000 PolarHBondContact O-N 3.15Å |
| 997 | I | 87.3 | Confident | 76.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 176 | -68.4 | 166.5 | 0 | 0 | 0 | 110.5 | A968 V993 D995 L1001 C1029 T1032 R1033 | A968-I997 HydrophobicContact CB-CD1 4.26Å; A968-I997 HydrophobicContact CB-CG1 3.85Å; V993-I997 HydrophobicContact CG1-CD1 3.91Å; V993-I997 WeakPolarHBondContact O-CD1 3.49Å; V993-I997 VanDerWaalsContact O-CG1 3.28Å; V993-I997 WeakPolarHBondContact O-CG1 3.46Å; V993-I997 PolarHBondContact O-N 3.35Å; V993-I997 VanDerWaalsContact O-N 3.09Å; D995-I997 PolarHBondContact O-N 3.26Å; I997-L1001 HydrophobicContact CG2-CD1 4.1Å; I997-L1001 VanDerWaalsContact O-CG 3.3Å; I997-L1001 WeakPolarHBondContact O-CG 3.46Å; I997-L1001 PolarHBondContact O-N 2.94Å; I997-L1001 VanDerWaalsContact O-N 3.14Å; I997-C1029 HydrophobicContact CG2-CB 4.17Å; I997-T1032 WeakPolarHBondContact CD1-OG1 3.41Å; I997-R1033 HydrophobicContact CD1-CB 4.09Å; I997-R1033 HydrophobicContact CG2-CB 4.46Å |
| 998 | S | 87.2 | Confident | 75.6 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.7 | 84.6 | 0 | 0 | 0 | 0 | 112.5 | L994 D995 D996 L1001 V1002 | L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.15Å; D995-S998 WeakPolarHBondContact O-CA 3.47Å; D995-S998 WeakPolarHBondContact O-CB 3.35Å; D995-S998 PolarHBondContact O-N 3.07Å; D995-S998 VanDerWaalsContact O-N 3.11Å; D995-S998 PolarHBondContact O-OG 2.97Å; D996-S998 VanDerWaalsContact C-N 3.25Å; D996-S998 PolarHBondContact O-N 3.47Å; S998-L1001 PolarHBondContact O-N 2.79Å; S998-V1002 WeakPolarHBondContact O-CG2 3.46Å; S998-V1002 PolarHBondContact O-N 3.5Å |
| 999 | Q | 86.1 | Confident | 74.1 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 178.5 | -67.5 | -62.4 | -22 | 0 | 0 | 111.4 | Y964 D995 D996 L1001 V1002 L1003 | Y964-Q999 HydrophobicContact CD1-CB 3.71Å; Y964-Q999 HydrophobicContact CD1-CG 4.34Å; Y964-Q999 HydrophobicContact CE1-CB 3.75Å; Y964-Q999 HydrophobicContact CE1-CG 4.08Å; Y964-Q999 HydrophobicContact CG-CB 4.14Å; D995-Q999 WeakPolarHBondContact O-CG 3.29Å; D995-Q999 PolarHBondContact O-N 3.18Å; D996-Q999 PolarHBondContact O-N 3.01Å; Q999-L1001 VanDerWaalsContact C-N 3.33Å; Q999-L1001 PolarHBondContact O-N 3.29Å; Q999-V1002 PolarHBondContact O-N 2.96Å; Q999-L1003 WeakPolarHBondContact O-CB 3.05Å; Q999-L1003 VanDerWaalsContact O-CG 3.27Å; Q999-L1003 WeakPolarHBondContact O-CG 3.23Å; Q999-L1003 PolarHBondContact O-N 3.24Å |
| 1000 | A | 83.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P961 D996 I1004 | P961-A1000 HydrophobicContact CB-CB 4.36Å; P961-A1000 WeakPolarHBondContact CB-O 3.25Å; D996-A1000 WeakPolarHBondContact O-CB 3.45Å; D996-A1000 PolarHBondContact O-N 3.15Å; A1000-I1004 VanDerWaalsContact O-CD1 3.3Å; A1000-I1004 WeakPolarHBondContact O-CD1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.41Å; A1000-I1004 PolarHBondContact O-N 3Å; A1000-I1004 VanDerWaalsContact O-N 3.11Å |
| 1001 | L | 82.8 | Confident | 70.8 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 178.6 | -69.1 | 169.5 | 0 | 0 | 0 | 112.5 | I997 S998 Q999 L1003 I1004 H1005 I1026 C1029 | I997-L1001 HydrophobicContact CG2-CD1 4.1Å; I997-L1001 VanDerWaalsContact O-CG 3.3Å; I997-L1001 WeakPolarHBondContact O-CG 3.46Å; I997-L1001 PolarHBondContact O-N 2.94Å; I997-L1001 VanDerWaalsContact O-N 3.14Å; S998-L1001 PolarHBondContact O-N 2.79Å; Q999-L1001 VanDerWaalsContact C-N 3.33Å; Q999-L1001 PolarHBondContact O-N 3.29Å; L1001-L1003 PolarHBondContact O-N 2.95Å; L1001-I1004 PolarHBondContact O-N 3.1Å; L1001-H1005 PolarHBondContact O-CD2 3.48Å; L1001-H1005 PolarHBondContact O-N 2.99Å; L1001-I1026 HydrophobicContact CD2-CG2 3.99Å; L1001-C1029 HydrophobicContact CD2-CB 4.02Å; L1001-C1029 HydrophobicContact CG-CB 4.23Å |
| 1002 | V | 83.4 | Confident | 68.9 | Low | 88 Ų | 88 | 67.5 Ų | 67.5 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.8 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | S998 Q999 I1004 H1005 S1006 | S998-V1002 WeakPolarHBondContact O-CG2 3.46Å; S998-V1002 PolarHBondContact O-N 3.5Å; Q999-V1002 PolarHBondContact O-N 2.96Å; V1002-I1004 VanDerWaalsContact C-N 3.32Å; V1002-I1004 PolarHBondContact O-N 3.33Å; V1002-H1005 PolarHBondContact O-N 2.87Å; V1002-S1006 PolarHBondContact O-N 2.89Å; V1002-S1006 PolarHBondContact O-OG 3.26Å |
| 1003 | L | 81.4 | Confident | 66.6 | Low | 19 Ų | 19 | 69.4 Ų | 69.4 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 177.8 | -72.6 | 168.9 | 0 | 0 | 0 | 113.1 | P958 P961 Y964 Q999 L1001 S1006 N1007 | P958-L1003 VanDerWaalsContact O-CD1 3.29Å; P958-L1003 WeakPolarHBondContact O-CD1 3.42Å; P961-L1003 HydrophobicContact CB-CB 3.99Å; P961-L1003 HydrophobicContact CB-CD1 4.49Å; Y964-L1003 HydrophobicContact CD2-CD1 3.89Å; Y964-L1003 HydrophobicContact CE2-CD1 3.58Å; Q999-L1003 WeakPolarHBondContact O-CB 3.05Å; Q999-L1003 VanDerWaalsContact O-CG 3.27Å; Q999-L1003 WeakPolarHBondContact O-CG 3.23Å; Q999-L1003 PolarHBondContact O-N 3.24Å; L1001-L1003 PolarHBondContact O-N 2.95Å; L1003-S1006 PolarHBondContact O-OG 2.97Å; L1003-S1006 VanDerWaalsContact O-OG 3.14Å; L1003-N1007 PolarHBondContact O-ND2 3.29Å |
| 1004 | I | 75.3 | Confident | 64 | Low | 25 Ų | 25 | 75 Ų | 75 | 13% | 0.128 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 173.8 | -66.5 | 159.3 | 0 | 0 | 0 | 110.2 | P961 A1000 L1001 V1002 I1025 I1026 | P961-I1004 HydrophobicContact CB-CD1 4.19Å; P961-I1004 HydrophobicContact CB-CG1 3.8Å; P961-I1004 HydrophobicContact CG-CG1 3.88Å; A1000-I1004 VanDerWaalsContact O-CD1 3.3Å; A1000-I1004 WeakPolarHBondContact O-CD1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.41Å; A1000-I1004 PolarHBondContact O-N 3Å; A1000-I1004 VanDerWaalsContact O-N 3.11Å; L1001-I1004 PolarHBondContact O-N 3.1Å; V1002-I1004 VanDerWaalsContact C-N 3.32Å; V1002-I1004 PolarHBondContact O-N 3.33Å; I1004-I1025 HydrophobicContact CD1-CB 4.17Å; I1004-I1025 HydrophobicContact CD1-CG2 3.63Å; I1004-I1026 HydrophobicContact CD1-CG1 4.01Å; I1004-I1026 HydrophobicContact CG2-CD1 3.86Å; I1004-I1026 HydrophobicContact CG2-CG1 3.9Å |
| 1005 | H | 72.4 | Confident | 61.3 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 61% | 0.611 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.2 | -26.7 | -179.4 | -75.5 | -59.6 | 0 | 0 | 0 | 114.4 | L1001 V1002 | L1001-H1005 PolarHBondContact O-CD2 3.48Å; L1001-H1005 PolarHBondContact O-N 2.99Å; V1002-H1005 PolarHBondContact O-N 2.87Å |
| 1006 | S | 67.6 | Low | 58.5 | Low | 74 Ų | 74 | 80.1 Ų | 80.1 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -74 | -22.6 | 179.2 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | V1002 L1003 K1008 | V1002-S1006 PolarHBondContact O-N 2.89Å; V1002-S1006 PolarHBondContact O-OG 3.26Å; L1003-S1006 PolarHBondContact O-OG 2.97Å; L1003-S1006 VanDerWaalsContact O-OG 3.14Å; S1006-K1008 VanDerWaalsContact C-N 3.35Å; S1006-K1008 PolarHBondContact O-N 3.29Å |
| 1007 | N | 52.1 | Low | 55.9 | Low | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.353 | 46% | 0.456 | S | S | . | . | trans | -80.7 | 71.5 | -169.7 | -84.1 | -48.1 | 0 | 0 | 0 | 113.8 | L1003 | L1003-N1007 PolarHBondContact O-ND2 3.29Š| ||
| 1008 | K | 42.2 | Very low | 53 | Low | 207 Ų | 207 | 86 Ų | 86 | 90% | 0.9 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -90.7 | -3.7 | 166.4 | -93.7 | -178.3 | 176.8 | 174.2 | 0 | 114.5 | S1006 | S1006-K1008 VanDerWaalsContact C-N 3.35Å; S1006-K1008 PolarHBondContact O-N 3.29Å |
| 1009 | S | 30.7 | Very low | 50.2 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -156 | 145.9 | -174.8 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | V1011 | S1009-V1011 PolarHBondContact O-N 3.44Š|
| 1010 | S | 29.6 | Very low | 47.8 | Very low | 114 Ų | 114 | 91.2 Ų | 91.2 | 80% | 0.797 | 51% | 0.51 | S | S | * | . | trans | 54.3 | 50.8 | 154.6 | 62.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1011 | V | 31.2 | Very low | 46 | Very low | 88 Ų | 88 | 96.3 Ų | 96.3 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | trans | -120.8 | 117.9 | 147.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | S1009 | S1009-V1011 PolarHBondContact O-N 3.44Š| ||
| 1012 | N | 30.1 | Very low | 44.2 | Very low | 123 Ų | 123 | 99.6 Ų | 99.6 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | trans | -67.8 | 130 | -175.5 | -83.3 | -18.1 | 0 | 0 | 0 | 111.5 | I1014 | N1012-I1014 HydrophobicContact CB-CB 4.38Å; N1012-I1014 HydrophobicContact CB-CD1 3.78Å; N1012-I1014 HydrophobicContact CB-CG1 3.94Å; N1012-I1014 PolarHBondContact O-N 3.01Å | ||
| 1013 | P | 29.2 | Very low | 42.5 | Very low | 109 Ų | 109 | 99.2 Ų | 99.2 | 71% | 0.708 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 47.2 | 177.6 | 36 | -37.7 | 0 | 0 | 0 | 111.7 | ||
| 1014 | I | 29.9 | Very low | 41.8 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -31.6 | -172.1 | -69.4 | 175.1 | 0 | 0 | 0 | 111.7 | N1012 | N1012-I1014 HydrophobicContact CB-CB 4.38Å; N1012-I1014 HydrophobicContact CB-CD1 3.78Å; N1012-I1014 HydrophobicContact CB-CG1 3.94Å; N1012-I1014 PolarHBondContact O-N 3.01Å |
| 1015 | H | 29.7 | Very low | 41.6 | Very low | 134 Ų | 134 | 100.3 Ų | 100.3 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -126 | 130.3 | 167.1 | -70.9 | -82.3 | 0 | 0 | 0 | 111.7 | ||
| 1016 | F | 29.7 | Very low | 41.9 | Very low | 126 Ų | 126 | 95.2 Ų | 95.2 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 67.4 | 115.6 | -178.9 | -60.6 | -81.4 | 0 | 0 | 0 | 117.4 | ||
| 1017 | N | 31.8 | Very low | 42.3 | Very low | 84 Ų | 84 | 91.9 Ų | 91.9 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | trans | 69.2 | 114.9 | 147.3 | -60.4 | -42.6 | 0 | 0 | 0 | 118.2 | K1021 | N1017-K1021 HydrophobicContact CB-CB 4.04Å; N1017-K1021 HydrophobicContact CB-CD 3.64Å; N1017-K1021 HydrophobicContact CB-CG 4.44Å; N1017-K1021 WeakPolarHBondContact OD1-CD 3.31Å; N1017-K1021 PolarHBondContact OD1-NZ 2.95Å | ||
| 1018 | G | 28.2 | Very low | 43.4 | Very low | 46 Ų | 46 | 92.4 Ų | 92.4 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | trans | -69.8 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1020 K1021 | G1018-I1020 PolarHBondContact O-N 3.22Å; G1018-K1021 PolarHBondContact O-N 2.86Å | ||
| 1019 | P | 26.9 | Very low | 45.4 | Very low | 108 Ų | 108 | 82.5 Ų | 82.5 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.8 | -166.5 | 21.5 | -34.1 | 0 | 0 | 0 | 114.8 | K1021 Y1022 | P1019-K1021 PolarHBondContact O-N 3.08Å; P1019-Y1022 PolarHBondContact O-N 2.89Å; P1019-Y1022 VanDerWaalsContact O-N 3.13Å |
| 1020 | I | 36.1 | Very low | 47.9 | Very low | 137 Ų | 137 | 78.7 Ų | 78.7 | 70% | 0.703 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -53.6 | -38 | 176.6 | -58 | 170.7 | 0 | 0 | 0 | 111.7 | G1018 | G1018-I1020 PolarHBondContact O-N 3.22Å |
| 1021 | K | 45.9 | Very low | 50.4 | Low | 107 Ų | 107 | 74.8 Ų | 74.8 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80.1 | -16.6 | -177.9 | -84.4 | 179 | 174.5 | -176.2 | 0 | 114.5 | N1017 G1018 P1019 V1023 N1024 I1025 | N1017-K1021 HydrophobicContact CB-CB 4.04Å; N1017-K1021 HydrophobicContact CB-CD 3.64Å; N1017-K1021 HydrophobicContact CB-CG 4.44Å; N1017-K1021 WeakPolarHBondContact OD1-CD 3.31Å; N1017-K1021 PolarHBondContact OD1-NZ 2.95Å; G1018-K1021 PolarHBondContact O-N 2.86Å; P1019-K1021 PolarHBondContact O-N 3.08Å; K1021-V1023 VanDerWaalsContact C-N 3.34Å; K1021-N1024 PolarHBondContact O-N 3.2Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; K1021-I1025 PolarHBondContact O-N 2.79Å |
| 1022 | Y | 44.4 | Very low | 52.9 | Low | 102 Ų | 102 | 71 Ų | 71 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 173.9 | -87.3 | -87.8 | 0 | 0 | 0 | 112.2 | P1019 I1025 | P1019-Y1022 PolarHBondContact O-N 2.89Å; P1019-Y1022 VanDerWaalsContact O-N 3.13Å; Y1022-I1025 PolarHBondContact O-N 3.15Å |
| 1023 | V | 48.6 | Very low | 55.6 | Low | 80 Ų | 80 | 68.7 Ų | 68.7 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 174.6 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | K1021 I1025 I1026 D1027 | K1021-V1023 VanDerWaalsContact C-N 3.34Å; V1023-I1025 VanDerWaalsContact C-N 3.27Å; V1023-I1025 PolarHBondContact O-N 3.04Å; V1023-I1026 PolarHBondContact O-N 3.27Å; V1023-D1027 PolarHBondContact O-N 2.99Å |
| 1024 | N | 65.8 | Low | 58.3 | Low | 41 Ų | 41 | 63.5 Ų | 63.5 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.1 | -33.1 | 179.5 | -67.5 | 5 | 0 | 0 | 0 | 113.9 | K1021 D1027 Q1028 R1057 | K1021-N1024 PolarHBondContact O-N 3.2Å; N1024-D1027 PolarHBondContact O-N 3.15Å; N1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; N1024-Q1028 VanDerWaalsContact O-CG 3.23Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.42Å; N1024-Q1028 PolarHBondContact O-N 2.97Å; N1024-R1057 PolarHBondContact OD1-NH2 3.07Å |
| 1025 | I | 71.2 | Confident | 60.6 | Low | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.3 | -40.2 | -178.5 | -59.5 | 165.8 | 0 | 0 | 0 | 111.2 | L965 I1004 K1021 Y1022 V1023 D1027 Q1028 C1029 | L965-I1025 HydrophobicContact CD2-CG2 3.94Å; I1004-I1025 HydrophobicContact CD1-CB 4.17Å; I1004-I1025 HydrophobicContact CD1-CG2 3.63Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; K1021-I1025 PolarHBondContact O-N 2.79Å; Y1022-I1025 PolarHBondContact O-N 3.15Å; V1023-I1025 VanDerWaalsContact C-N 3.27Å; V1023-I1025 PolarHBondContact O-N 3.04Å; I1025-D1027 VanDerWaalsContact C-N 3.32Å; I1025-D1027 PolarHBondContact O-N 3.1Å; I1025-Q1028 PolarHBondContact O-N 3.21Å; I1025-C1029 WeakPolarHBondContact O-CB 3.21Å; I1025-C1029 PolarHBondContact O-N 2.98Å; I1025-C1029 PolarHBondContact O-SG 3.42Å; I1025-C1029 VanDerWaalsContact O-SG 3.33Å |
| 1026 | I | 78.5 | Confident | 63.2 | Low | 24 Ų | 24 | 53.1 Ų | 53.1 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.6 | -58.7 | 175 | 0 | 0 | 0 | 110.1 | L1001 I1004 V1023 C1029 L1030 | L1001-I1026 HydrophobicContact CD2-CG2 3.99Å; I1004-I1026 HydrophobicContact CD1-CG1 4.01Å; I1004-I1026 HydrophobicContact CG2-CD1 3.86Å; I1004-I1026 HydrophobicContact CG2-CG1 3.9Å; V1023-I1026 PolarHBondContact O-N 3.27Å; I1026-C1029 WeakPolarHBondContact O-CB 3.4Å; I1026-C1029 PolarHBondContact O-N 3.14Å; I1026-L1030 HydrophobicContact CG2-CD1 4.32Å; I1026-L1030 PolarHBondContact O-N 2.73Å |
| 1027 | D | 75.7 | Confident | 65.8 | Low | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | -178 | -61.7 | -33.5 | 0 | 0 | 0 | 111.4 | V1023 N1024 I1025 L1030 L1031 R1056 R1057 W1060 | V1023-D1027 PolarHBondContact O-N 2.99Å; N1024-D1027 PolarHBondContact O-N 3.15Å; I1025-D1027 VanDerWaalsContact C-N 3.32Å; I1025-D1027 PolarHBondContact O-N 3.1Å; D1027-L1030 PolarHBondContact O-N 3.35Å; D1027-L1031 WeakPolarHBondContact O-CB 3.45Å; D1027-L1031 PolarHBondContact O-N 3.26Å; D1027-R1056 WeakPolarHBondContact OD1-CD 3.18Å; D1027-R1057 IonicContact OD2-CZ 3.33Å; D1027-R1057 IonicContact OD2-NE 2.67Å; D1027-R1057 PolarHBondContact OD2-NE 2.85Å; D1027-R1057 IonicContact OD2-NH2 3.84Å; D1027-R1057 PolarHBondContact OD2-NH2 2.99Å; D1027-W1060 HydrophobicContact CB-CH2 4.46Å; D1027-W1060 HydrophobicContact CB-CZ3 3.88Å |
| 1028 | Q | 76.5 | Confident | 68.1 | Low | 77 Ų | 77 | 43.8 Ų | 43.8 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.9 | -39 | 170.4 | -74.5 | 174.6 | -16.7 | 0 | 0 | 113.2 | L965 N1024 I1025 L1030 L1031 T1032 | L965-Q1028 HydrophobicContact CD1-CB 4.37Å; L965-Q1028 HydrophobicContact CD2-CB 3.67Å; N1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; N1024-Q1028 VanDerWaalsContact O-CG 3.23Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.42Å; N1024-Q1028 PolarHBondContact O-N 2.97Å; I1025-Q1028 PolarHBondContact O-N 3.21Å; Q1028-L1030 VanDerWaalsContact C-N 3.31Å; Q1028-L1030 PolarHBondContact O-N 2.91Å; Q1028-L1031 PolarHBondContact O-N 3.1Å; Q1028-T1032 WeakPolarHBondContact O-CG2 3.42Å; Q1028-T1032 PolarHBondContact O-N 2.99Å; Q1028-T1032 PolarHBondContact O-OG1 3.33Å |
| 1029 | C | 83.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 173.8 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | I997 L1001 I1025 I1026 T1032 R1033 | I997-C1029 HydrophobicContact CG2-CB 4.17Å; L1001-C1029 HydrophobicContact CD2-CB 4.02Å; L1001-C1029 HydrophobicContact CG-CB 4.23Å; I1025-C1029 WeakPolarHBondContact O-CB 3.21Å; I1025-C1029 PolarHBondContact O-N 2.98Å; I1025-C1029 PolarHBondContact O-SG 3.42Å; I1025-C1029 VanDerWaalsContact O-SG 3.33Å; I1026-C1029 WeakPolarHBondContact O-CB 3.4Å; I1026-C1029 PolarHBondContact O-N 3.14Å; C1029-T1032 PolarHBondContact O-OG1 3.02Å; C1029-R1033 WeakPolarHBondContact O-CB 3.46Å; C1029-R1033 PolarHBondContact O-N 3.48Å |
| 1030 | L | 84.2 | Confident | 72.7 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.9 | -41.1 | 175.7 | -68.7 | 170.3 | 0 | 0 | 0 | 111.3 | I1026 D1027 Q1028 R1033 I1034 E1052 V1053 | I1026-L1030 HydrophobicContact CG2-CD1 4.32Å; I1026-L1030 PolarHBondContact O-N 2.73Å; D1027-L1030 PolarHBondContact O-N 3.35Å; Q1028-L1030 VanDerWaalsContact C-N 3.31Å; Q1028-L1030 PolarHBondContact O-N 2.91Å; L1030-R1033 WeakPolarHBondContact O-CB 3.42Å; L1030-R1033 PolarHBondContact O-N 3.14Å; L1030-R1033 VanDerWaalsContact O-N 3.16Å; L1030-I1034 VanDerWaalsContact O-CG1 3.31Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.19Å; L1030-I1034 PolarHBondContact O-N 3.33Å; L1030-E1052 HydrophobicContact CD1-CB 4.37Å; L1030-V1053 HydrophobicContact CB-CG2 3.31Å; L1030-V1053 HydrophobicContact CD1-CG2 3.69Å; L1030-V1053 HydrophobicContact CG-CG2 4.09Å |
| 1031 | L | 82.7 | Confident | 74.8 | Confident | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -49.6 | 174.2 | 179 | 66.9 | 0 | 0 | 0 | 112.3 | D1027 Q1028 R1033 I1034 I1035 W1060 I1063 Y1066 | D1027-L1031 WeakPolarHBondContact O-CB 3.45Å; D1027-L1031 PolarHBondContact O-N 3.26Å; Q1028-L1031 PolarHBondContact O-N 3.1Å; L1031-R1033 PolarHBondContact O-N 3.1Å; L1031-I1034 WeakPolarHBondContact O-CB 3.38Å; L1031-I1034 PolarHBondContact O-N 3.45Å; L1031-I1034 VanDerWaalsContact O-N 3.1Å; L1031-I1035 HydrophobicContact CD1-CD1 4.13Å; L1031-I1035 HydrophobicContact CG-CD1 3.98Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.34Å; L1031-I1035 PolarHBondContact O-N 3.48Å; L1031-W1060 HydrophobicContact CB-CH2 4Å; L1031-W1060 HydrophobicContact CD1-CH2 4.39Å; L1031-W1060 HydrophobicContact CD1-CZ2 4.4Å; L1031-W1060 HydrophobicContact CD2-CH2 4.02Å; L1031-W1060 HydrophobicContact CD2-CZ2 3.99Å; L1031-W1060 HydrophobicContact CG-CH2 4.37Å; L1031-I1063 HydrophobicContact CD1-CD1 4.05Å; L1031-Y1066 HydrophobicContact CD1-CE2 3.54Å |
| 1032 | T | 82.8 | Confident | 76.7 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -33.4 | 177.6 | 50 | 0 | 0 | 0 | 0 | 112.4 | L965 Q969 I997 Q1028 C1029 Y1036 | L965-T1032 HydrophobicContact CD1-CG2 3.9Å; Q969-T1032 HydrophobicContact CG-CG2 3.4Å; I997-T1032 WeakPolarHBondContact CD1-OG1 3.41Å; Q1028-T1032 WeakPolarHBondContact O-CG2 3.42Å; Q1028-T1032 PolarHBondContact O-N 2.99Å; Q1028-T1032 PolarHBondContact O-OG1 3.33Å; C1029-T1032 PolarHBondContact O-OG1 3.02Å; T1032-Y1036 VanDerWaalsContact O-CB 3.26Å; T1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; T1032-Y1036 PolarHBondContact O-N 3.37Å |
| 1033 | R | 86.6 | Confident | 78.7 | Confident | 75 Ų | 75 | 35.9 Ų | 35.9 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.6 | -32.6 | 175 | -159.4 | 166.2 | 104.8 | 161.2 | -3.9 | 113 | L994 I997 C1029 L1030 L1031 F1037 N1049 | L994-R1033 HydrophobicContact CD2-CG 3.87Å; I997-R1033 HydrophobicContact CD1-CB 4.09Å; I997-R1033 HydrophobicContact CG2-CB 4.46Å; C1029-R1033 WeakPolarHBondContact O-CB 3.46Å; C1029-R1033 PolarHBondContact O-N 3.48Å; L1030-R1033 WeakPolarHBondContact O-CB 3.42Å; L1030-R1033 PolarHBondContact O-N 3.14Å; L1030-R1033 VanDerWaalsContact O-N 3.16Å; L1031-R1033 PolarHBondContact O-N 3.1Å; R1033-F1037 HydrophobicContact CG-CD2 4Å; R1033-F1037 HydrophobicContact CG-CE2 3.61Å; R1033-F1037 HydrophobicContact CG-CZ 4.49Å; R1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; R1033-F1037 PolarHBondContact O-N 2.82Å; R1033-N1049 VanDerWaalsContact CZ-OD1 3.24Å; R1033-N1049 PolarHBondContact NE-OD1 3.27Å; R1033-N1049 PolarHBondContact NH2-OD1 3.06Å |
| 1034 | I | 85.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -55.2 | 171.2 | -68.7 | 163.5 | 0 | 0 | 0 | 109.5 | L1030 L1031 Y1036 F1037 G1038 N1049 C1050 V1053 I1063 Y1066 F1070 | L1030-I1034 VanDerWaalsContact O-CG1 3.31Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.19Å; L1030-I1034 PolarHBondContact O-N 3.33Å; L1031-I1034 WeakPolarHBondContact O-CB 3.38Å; L1031-I1034 PolarHBondContact O-N 3.45Å; L1031-I1034 VanDerWaalsContact O-N 3.1Å; I1034-Y1036 PolarHBondContact O-N 3.45Å; I1034-F1037 PolarHBondContact O-N 2.78Å; I1034-G1038 PolarHBondContact O-N 3.05Å; I1034-N1049 HydrophobicContact CD1-CB 4.28Å; I1034-N1049 HydrophobicContact CG1-CB 3.54Å; I1034-C1050 HydrophobicContact CD1-CB 4.43Å; I1034-V1053 HydrophobicContact CD1-CG2 4.02Å; I1034-I1063 HydrophobicContact CD1-CD1 4Å; I1034-I1063 HydrophobicContact CD1-CG2 4.42Å; I1034-Y1066 HydrophobicContact CG2-CD2 4.06Å; I1034-Y1066 HydrophobicContact CG2-CG 4.49Å; I1034-F1070 HydrophobicContact CG2-CE2 3.61Å; I1034-F1070 HydrophobicContact CG2-CZ 4.11Å |
| 1035 | I | 79.1 | Confident | 81.8 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | -178.4 | -64.2 | 164.4 | 0 | 0 | 0 | 110.9 | D181 L1031 F1037 G1038 I1039 | D181-I1035 WeakPolarHBondContact OD2-CD1 3.19Å; L1031-I1035 HydrophobicContact CD1-CD1 4.13Å; L1031-I1035 HydrophobicContact CG-CD1 3.98Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.34Å; L1031-I1035 PolarHBondContact O-N 3.48Å; I1035-F1037 VanDerWaalsContact C-N 3.34Å; I1035-F1037 PolarHBondContact O-N 3.12Å; I1035-G1038 WeakPolarHBondContact O-CA 3.49Å; I1035-G1038 PolarHBondContact O-N 3.46Å; I1035-I1039 HydrophobicContact CG2-CD1 3.76Å; I1035-I1039 HydrophobicContact CG2-CG1 4.38Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.37Å; I1035-I1039 PolarHBondContact O-N 2.99Å |
| 1036 | Y | 83.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -42.6 | 178.6 | -179.6 | -104.3 | 0 | 0 | 0 | 113.3 | I975 V993 L994 T1032 I1034 N1040 | I975-Y1036 HydrophobicContact CD1-CD2 4.47Å; I975-Y1036 HydrophobicContact CD1-CE2 3.91Å; V993-Y1036 HydrophobicContact CB-CD2 3.94Å; V993-Y1036 HydrophobicContact CB-CE2 3.8Å; V993-Y1036 HydrophobicContact CB-CG 4.44Å; V993-Y1036 HydrophobicContact CG1-CD1 4.36Å; V993-Y1036 HydrophobicContact CG1-CD2 3.62Å; V993-Y1036 HydrophobicContact CG1-CE2 4.02Å; V993-Y1036 HydrophobicContact CG1-CG 3.79Å; V993-Y1036 HydrophobicContact CG2-CD2 4.03Å; V993-Y1036 HydrophobicContact CG2-CE2 3.81Å; L994-Y1036 HydrophobicContact CD1-CD1 4.4Å; L994-Y1036 HydrophobicContact CD1-CE1 3.82Å; L994-Y1036 HydrophobicContact CD2-CD1 3.76Å; L994-Y1036 HydrophobicContact CD2-CE1 3.97Å; L994-Y1036 HydrophobicContact CG-CD1 3.96Å; L994-Y1036 HydrophobicContact CG-CE1 3.61Å; T1032-Y1036 VanDerWaalsContact O-CB 3.26Å; T1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; T1032-Y1036 PolarHBondContact O-N 3.37Å; I1034-Y1036 PolarHBondContact O-N 3.45Å; Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.49Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.21Å; Y1036-N1040 PolarHBondContact O-N 3.39Å; Y1036-N1040 VanDerWaalsContact O-N 3.15Å; Y1036-N1040 PolarHBondContact O-ND2 3.16Å |
| 1037 | F | 85.8 | Confident | 83.2 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.4 | -24 | 175.7 | -72.1 | -47.6 | 0 | 0 | 0 | 113.3 | L994 R1033 I1034 I1035 R1042 K1045 A1046 N1049 | L994-F1037 HydrophobicContact CD1-CE1 3.9Å; L994-F1037 HydrophobicContact CD1-CZ 3.84Å; L994-F1037 HydrophobicContact CD2-CE1 4.21Å; L994-F1037 HydrophobicContact CD2-CE2 4.13Å; L994-F1037 HydrophobicContact CD2-CZ 3.68Å; L994-F1037 HydrophobicContact CG-CZ 4.44Å; R1033-F1037 HydrophobicContact CG-CD2 4Å; R1033-F1037 HydrophobicContact CG-CE2 3.61Å; R1033-F1037 HydrophobicContact CG-CZ 4.49Å; R1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; R1033-F1037 PolarHBondContact O-N 2.82Å; I1034-F1037 PolarHBondContact O-N 2.78Å; I1035-F1037 VanDerWaalsContact C-N 3.34Å; I1035-F1037 PolarHBondContact O-N 3.12Å; F1037-R1042 HydrophobicContact CB-CB 4.19Å; F1037-R1042 HydrophobicContact CD1-CB 3.98Å; F1037-R1042 HydrophobicContact CG-CB 4.44Å; F1037-R1042 CarbonylContact O-C 3.43Å; F1037-R1042 WeakPolarHBondContact O-CA 3.39Å; F1037-R1042 PolarHBondContact O-N 3.07Å; F1037-K1045 HydrophobicContact CB-CB 4.27Å; F1037-K1045 HydrophobicContact CD1-CB 4.02Å; F1037-K1045 HydrophobicContact CD1-CD 4.13Å; F1037-K1045 HydrophobicContact CD2-CB 3.67Å; F1037-K1045 HydrophobicContact CE1-CB 4.25Å; F1037-K1045 HydrophobicContact CE1-CD 3.72Å; F1037-K1045 HydrophobicContact CE2-CB 3.91Å; F1037-K1045 HydrophobicContact CE2-CD 4.4Å; F1037-K1045 HydrophobicContact CG-CB 3.73Å; F1037-K1045 HydrophobicContact CZ-CB 4.21Å; F1037-K1045 HydrophobicContact CZ-CD 3.87Å; F1037-A1046 HydrophobicContact CB-CB 3.87Å; F1037-N1049 WeakPolarHBondContact CD2-ND2 3.43Å |
| 1038 | G | 78.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -55.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | I1034 I1035 N1040 Q1041 F1070 | I1034-G1038 PolarHBondContact O-N 3.05Å; I1035-G1038 WeakPolarHBondContact O-CA 3.49Å; I1035-G1038 PolarHBondContact O-N 3.46Å; G1038-N1040 VanDerWaalsContact C-N 3.32Å; G1038-N1040 PolarHBondContact O-N 3.25Å; G1038-Q1041 WeakPolarHBondContact O-CA 3.36Å; G1038-Q1041 PolarHBondContact O-N 3.35Å; G1038-F1070 VanDerWaalsContact CA-CE1 3.43Å |
| 1039 | I | 74.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.2 | -47 | 177.4 | -63.6 | 163.5 | 0 | 0 | 0 | 110.8 | V178 I975 A976 H979 I1035 Q1041 | V178-I1039 HydrophobicContact CG2-CD1 4.43Å; V178-I1039 HydrophobicContact CG2-CG1 3.92Å; I975-I1039 HydrophobicContact CG2-CG2 4.09Å; A976-I1039 HydrophobicContact CB-CD1 3.98Å; H979-I1039 WeakPolarHBondContact CD2-CG2 3.33Å; I1035-I1039 HydrophobicContact CG2-CD1 3.76Å; I1035-I1039 HydrophobicContact CG2-CG1 4.38Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.37Å; I1035-I1039 PolarHBondContact O-N 2.99Å; I1039-Q1041 PolarHBondContact O-N 3.31Å |
| 1040 | N | 78.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 9 | 177.4 | -84.7 | -95.8 | 0 | 0 | 0 | 114.9 | Y1036 G1038 R1042 | Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.49Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.21Å; Y1036-N1040 PolarHBondContact O-N 3.39Å; Y1036-N1040 VanDerWaalsContact O-N 3.15Å; Y1036-N1040 PolarHBondContact O-ND2 3.16Å; G1038-N1040 VanDerWaalsContact C-N 3.32Å; G1038-N1040 PolarHBondContact O-N 3.25Å; N1040-R1042 HydrophobicContact CB-CG 4.33Å; N1040-R1042 WeakPolarHBondContact O-CG 3.46Å; N1040-R1042 PolarHBondContact O-N 3.49Å |
| 1041 | Q | 80.9 | Confident | 85.1 | Confident | 134 Ų | 134 | 41.9 Ų | 41.9 | 63% | 0.626 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 22 | -177.2 | -52 | -171.6 | -3.1 | 0 | 0 | 114.8 | I174 G1038 I1039 Y1043 | I174-Q1041 HydrophobicContact CD1-CG 4.39Å; G1038-Q1041 WeakPolarHBondContact O-CA 3.36Å; G1038-Q1041 PolarHBondContact O-N 3.35Å; I1039-Q1041 PolarHBondContact O-N 3.31Å; Q1041-Y1043 VanDerWaalsContact C-N 3.31Å; Q1041-Y1043 HydrophobicContact CB-CE1 4.3Å; Q1041-Y1043 HydrophobicContact CB-CE2 4.39Å; Q1041-Y1043 WeakPolarHBondContact CG-OH 3.5Å; Q1041-Y1043 PolarHBondContact O-N 3Å |
| 1042 | R | 85.3 | Confident | 85.3 | Confident | 118 Ų | 118 | 44.4 Ų | 44.4 | 45% | 0.445 | 21% | 0.211 | S | C | . | . | trans | -95.4 | 49 | -177.5 | -73 | 167.9 | -176.5 | 175.6 | 1.6 | 111 | F1037 N1040 T1044 K1045 A1046 | F1037-R1042 HydrophobicContact CB-CB 4.19Å; F1037-R1042 HydrophobicContact CD1-CB 3.98Å; F1037-R1042 HydrophobicContact CG-CB 4.44Å; F1037-R1042 CarbonylContact O-C 3.43Å; F1037-R1042 WeakPolarHBondContact O-CA 3.39Å; F1037-R1042 PolarHBondContact O-N 3.07Å; N1040-R1042 HydrophobicContact CB-CG 4.33Å; N1040-R1042 WeakPolarHBondContact O-CG 3.46Å; N1040-R1042 PolarHBondContact O-N 3.49Å; R1042-T1044 VanDerWaalsContact C-N 3.26Å; R1042-T1044 PolarHBondContact O-N 2.69Å; R1042-T1044 VanDerWaalsContact O-N 3.08Å; R1042-K1045 WeakPolarHBondContact O-CA 3.14Å; R1042-K1045 WeakPolarHBondContact O-CB 3.37Å; R1042-K1045 PolarHBondContact O-N 3.19Å; R1042-A1046 PolarHBondContact O-N 3.49Å | ||
| 1043 | Y | 86.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 44 Ų | 44 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -49.8 | -39 | -171 | -49.3 | -44.6 | 0 | 0 | 0 | 114.5 | I174 Q1041 K1045 A1046 I1047 F1070 L1073 L1074 | I174-Y1043 WeakPolarHBondContact CD1-OH 3.41Å; Q1041-Y1043 VanDerWaalsContact C-N 3.31Å; Q1041-Y1043 HydrophobicContact CB-CE1 4.3Å; Q1041-Y1043 HydrophobicContact CB-CE2 4.39Å; Q1041-Y1043 WeakPolarHBondContact CG-OH 3.5Å; Q1041-Y1043 PolarHBondContact O-N 3Å; Y1043-K1045 VanDerWaalsContact C-N 3.29Å; Y1043-K1045 PolarHBondContact O-N 3.24Å; Y1043-A1046 WeakPolarHBondContact O-CB 3.18Å; Y1043-A1046 PolarHBondContact O-N 2.93Å; Y1043-A1046 VanDerWaalsContact O-N 3.11Å; Y1043-I1047 WeakPolarHBondContact O-CG1 3.26Å; Y1043-I1047 PolarHBondContact O-N 2.89Å; Y1043-F1070 AromaticContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CE1 4.1Å; Y1043-F1070 HydrophobicContact CD1-CG 4.42Å; Y1043-F1070 HydrophobicContact CE1-CD1 4.28Å; Y1043-F1070 HydrophobicContact CG-CD1 4.28Å; Y1043-L1073 HydrophobicContact CD1-CD1 4.21Å; Y1043-L1073 HydrophobicContact CD2-CB 3.96Å; Y1043-L1073 HydrophobicContact CE1-CB 4.36Å; Y1043-L1073 HydrophobicContact CE1-CD1 3.74Å; Y1043-L1073 HydrophobicContact CE2-CB 3.75Å; Y1043-L1073 HydrophobicContact CG-CB 4.37Å; Y1043-L1074 HydrophobicContact CD2-CD2 4.03Å; Y1043-L1074 HydrophobicContact CD2-CG 4.1Å; Y1043-L1074 HydrophobicContact CG-CG 4.45Å |
| 1044 | T | 90.3 | Very high | 85.4 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 56% | 0.558 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61.6 | -34.4 | 177 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | R1042 L1048 L1074 | R1042-T1044 VanDerWaalsContact C-N 3.26Å; R1042-T1044 PolarHBondContact O-N 2.69Å; R1042-T1044 VanDerWaalsContact O-N 3.08Å; T1044-L1048 WeakPolarHBondContact O-CG 3.42Å; T1044-L1048 PolarHBondContact O-N 3.02Å; T1044-L1074 HydrophobicContact CG2-CD1 4.04Å; T1044-L1074 HydrophobicContact CG2-CD2 4.33Å |
| 1045 | K | 89.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 49 Ų | 49 | 46% | 0.457 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.6 | -34 | 173 | -66.7 | -171.2 | 175.7 | -174.5 | 0 | 112.2 | F1037 R1042 Y1043 N1049 | F1037-K1045 HydrophobicContact CB-CB 4.27Å; F1037-K1045 HydrophobicContact CD1-CB 4.02Å; F1037-K1045 HydrophobicContact CD1-CD 4.13Å; F1037-K1045 HydrophobicContact CD2-CB 3.67Å; F1037-K1045 HydrophobicContact CE1-CB 4.25Å; F1037-K1045 HydrophobicContact CE1-CD 3.72Å; F1037-K1045 HydrophobicContact CE2-CB 3.91Å; F1037-K1045 HydrophobicContact CE2-CD 4.4Å; F1037-K1045 HydrophobicContact CG-CB 3.73Å; F1037-K1045 HydrophobicContact CZ-CB 4.21Å; F1037-K1045 HydrophobicContact CZ-CD 3.87Å; R1042-K1045 WeakPolarHBondContact O-CA 3.14Å; R1042-K1045 WeakPolarHBondContact O-CB 3.37Å; R1042-K1045 PolarHBondContact O-N 3.19Å; Y1043-K1045 VanDerWaalsContact C-N 3.29Å; Y1043-K1045 PolarHBondContact O-N 3.24Å; K1045-N1049 PolarHBondContact O-N 3.13Å; K1045-N1049 PolarHBondContact O-ND2 3.01Å |
| 1046 | A | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1037 R1042 Y1043 L1048 N1049 C1050 F1070 | F1037-A1046 HydrophobicContact CB-CB 3.87Å; R1042-A1046 PolarHBondContact O-N 3.49Å; Y1043-A1046 WeakPolarHBondContact O-CB 3.18Å; Y1043-A1046 PolarHBondContact O-N 2.93Å; Y1043-A1046 VanDerWaalsContact O-N 3.11Å; A1046-L1048 VanDerWaalsContact C-N 3.32Å; A1046-L1048 PolarHBondContact O-N 2.7Å; A1046-N1049 PolarHBondContact O-N 2.69Å; A1046-N1049 VanDerWaalsContact O-N 3.1Å; A1046-C1050 PolarHBondContact O-N 2.73Å; A1046-C1050 PolarHBondContact O-SG 3.11Å; A1046-F1070 HydrophobicContact CB-CD1 4.45Å; A1046-F1070 HydrophobicContact CB-CD2 3.67Å; A1046-F1070 HydrophobicContact CB-CE1 4.27Å; A1046-F1070 HydrophobicContact CB-CE2 3.48Å; A1046-F1070 VanDerWaalsContact CB-CE2 3.48Å; A1046-F1070 HydrophobicContact CB-CG 4.18Å; A1046-F1070 HydrophobicContact CB-CZ 3.8Å |
| 1047 | I | 90.5 | Very high | 85.3 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -39.9 | 177.9 | -70.2 | 165.6 | 0 | 0 | 0 | 112.3 | Y1043 N1049 C1050 N1051 R1067 F1070 K1071 L1074 | Y1043-I1047 WeakPolarHBondContact O-CG1 3.26Å; Y1043-I1047 PolarHBondContact O-N 2.89Å; I1047-N1049 VanDerWaalsContact C-N 3.34Å; I1047-N1049 PolarHBondContact O-N 3.29Å; I1047-C1050 WeakPolarHBondContact O-CB 3.32Å; I1047-C1050 PolarHBondContact O-N 2.9Å; I1047-N1051 PolarHBondContact O-N 2.87Å; I1047-R1067 HydrophobicContact CB-CG 4.45Å; I1047-R1067 HydrophobicContact CG1-CG 4.17Å; I1047-R1067 HydrophobicContact CG2-CG 4.04Å; I1047-F1070 HydrophobicContact CD1-CB 3.82Å; I1047-F1070 HydrophobicContact CG1-CB 3.66Å; I1047-F1070 HydrophobicContact CG1-CD2 4.34Å; I1047-F1070 HydrophobicContact CG1-CG 4.43Å; I1047-K1071 HydrophobicContact CD1-CG 4.03Å; I1047-L1074 HydrophobicContact CD1-CD1 3.65Å |
| 1048 | L | 91.2 | Very high | 85.2 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 57% | 0.571 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 176.4 | -73.9 | 170.6 | 0 | 0 | 0 | 112.3 | T1044 A1046 N1051 E1052 | T1044-L1048 WeakPolarHBondContact O-CG 3.42Å; T1044-L1048 PolarHBondContact O-N 3.02Å; A1046-L1048 VanDerWaalsContact C-N 3.32Å; A1046-L1048 PolarHBondContact O-N 2.7Å; L1048-N1051 WeakPolarHBondContact O-CB 3.33Å; L1048-N1051 PolarHBondContact O-N 3.28Å; L1048-E1052 PolarHBondContact O-N 3.48Å |
| 1049 | N | 88.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.2 | -34.1 | 176.1 | -52.6 | -49.3 | 0 | 0 | 0 | 111.8 | R1033 I1034 F1037 K1045 A1046 I1047 N1051 E1052 V1053 | R1033-N1049 VanDerWaalsContact CZ-OD1 3.24Å; R1033-N1049 PolarHBondContact NE-OD1 3.27Å; R1033-N1049 PolarHBondContact NH2-OD1 3.06Å; I1034-N1049 HydrophobicContact CD1-CB 4.28Å; I1034-N1049 HydrophobicContact CG1-CB 3.54Å; F1037-N1049 WeakPolarHBondContact CD2-ND2 3.43Å; K1045-N1049 PolarHBondContact O-N 3.13Å; K1045-N1049 PolarHBondContact O-ND2 3.01Å; A1046-N1049 PolarHBondContact O-N 2.69Å; A1046-N1049 VanDerWaalsContact O-N 3.1Å; I1047-N1049 VanDerWaalsContact C-N 3.34Å; I1047-N1049 PolarHBondContact O-N 3.29Å; N1049-N1051 PolarHBondContact O-N 3.37Å; N1049-E1052 PolarHBondContact O-N 3.21Å; N1049-E1052 VanDerWaalsContact O-N 3.17Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.28Å; N1049-V1053 PolarHBondContact O-N 3.13Å |
| 1050 | C | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.3 | -41.2 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | I1034 A1046 I1047 V1053 I1054 I1063 R1067 | I1034-C1050 HydrophobicContact CD1-CB 4.43Å; A1046-C1050 PolarHBondContact O-N 2.73Å; A1046-C1050 PolarHBondContact O-SG 3.11Å; I1047-C1050 WeakPolarHBondContact O-CB 3.32Å; I1047-C1050 PolarHBondContact O-N 2.9Å; C1050-V1053 PolarHBondContact O-N 3.43Å; C1050-I1054 WeakPolarHBondContact O-CB 3.47Å; C1050-I1054 VanDerWaalsContact O-CG1 3.28Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.33Å; C1050-I1054 PolarHBondContact O-N 3.13Å; C1050-I1063 HydrophobicContact CB-CG2 3.8Å; C1050-R1067 HydrophobicContact CB-CB 3.95Å; C1050-R1067 HydrophobicContact CB-CG 3.94Å |
| 1051 | N | 92.2 | Very high | 85.8 | Confident | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.3 | -64.9 | -16.7 | 0 | 0 | 0 | 112 | I1047 L1048 N1049 V1053 I1054 H1055 R1067 | I1047-N1051 PolarHBondContact O-N 2.87Å; L1048-N1051 WeakPolarHBondContact O-CB 3.33Å; L1048-N1051 PolarHBondContact O-N 3.28Å; N1049-N1051 PolarHBondContact O-N 3.37Å; N1051-V1053 VanDerWaalsContact C-N 3.27Å; N1051-V1053 PolarHBondContact O-N 3.27Å; N1051-I1054 PolarHBondContact O-N 2.65Å; N1051-H1055 PolarHBondContact O-CD2 2.83Å; N1051-H1055 PolarHBondContact O-N 3.42Å; N1051-R1067 WeakPolarHBondContact OD1-CD 3.43Å; N1051-R1067 PolarHBondContact OD1-NH1 3.48Å |
| 1052 | E | 86.2 | Confident | 85.7 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 175.2 | -73.7 | -171.7 | -152.8 | 0 | 0 | 113 | L1030 L1048 N1049 R1056 | L1030-E1052 HydrophobicContact CD1-CB 4.37Å; L1048-E1052 PolarHBondContact O-N 3.48Å; N1049-E1052 PolarHBondContact O-N 3.21Å; N1049-E1052 VanDerWaalsContact O-N 3.17Å; E1052-R1056 WeakPolarHBondContact O-CD 3.29Å; E1052-R1056 WeakPolarHBondContact O-CG 3.45Å |
| 1053 | V | 84.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.3 | -42.2 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | L1030 I1034 N1049 C1050 N1051 H1055 R1056 R1057 W1060 I1063 | L1030-V1053 HydrophobicContact CB-CG2 3.31Å; L1030-V1053 HydrophobicContact CD1-CG2 3.69Å; L1030-V1053 HydrophobicContact CG-CG2 4.09Å; I1034-V1053 HydrophobicContact CD1-CG2 4.02Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.28Å; N1049-V1053 PolarHBondContact O-N 3.13Å; C1050-V1053 PolarHBondContact O-N 3.43Å; N1051-V1053 VanDerWaalsContact C-N 3.27Å; N1051-V1053 PolarHBondContact O-N 3.27Å; V1053-H1055 PolarHBondContact O-N 2.8Å; V1053-R1056 CarbonylContact O-C 3.56Å; V1053-R1056 WeakPolarHBondContact O-CA 3.48Å; V1053-R1056 WeakPolarHBondContact O-CB 3.49Å; V1053-R1056 PolarHBondContact O-N 3.11Å; V1053-R1057 PolarHBondContact O-N 3.37Å; V1053-W1060 HydrophobicContact CG1-CD2 4.43Å; V1053-W1060 HydrophobicContact CG1-CE3 3.31Å; V1053-W1060 HydrophobicContact CG1-CZ3 3.52Å; V1053-I1063 HydrophobicContact CB-CD1 4.44Å; V1053-I1063 HydrophobicContact CB-CG1 4.41Å; V1053-I1063 HydrophobicContact CB-CG2 4.12Å; V1053-I1063 HydrophobicContact CG1-CB 4.5Å; V1053-I1063 HydrophobicContact CG1-CD1 3.88Å; V1053-I1063 HydrophobicContact CG1-CG1 3.68Å; V1053-I1063 HydrophobicContact CG1-CG2 4.26Å |
| 1054 | I | 87.8 | Confident | 85.9 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -36.2 | 176 | -74.2 | 164.3 | 0 | 0 | 0 | 111.1 | C1050 N1051 R1056 R1057 P1058 I1063 W1064 | C1050-I1054 WeakPolarHBondContact O-CB 3.47Å; C1050-I1054 VanDerWaalsContact O-CG1 3.28Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.33Å; C1050-I1054 PolarHBondContact O-N 3.13Å; N1051-I1054 PolarHBondContact O-N 2.65Å; I1054-R1056 PolarHBondContact O-N 2.92Å; I1054-R1057 CarbonylContact O-C 3.29Å; I1054-P1058 WeakPolarHBondContact O-CA 3.49Å; I1054-I1063 HydrophobicContact CD1-CG2 4.06Å; I1054-I1063 HydrophobicContact CG1-CB 4.36Å; I1054-I1063 HydrophobicContact CG1-CG2 3.8Å; I1054-W1064 HydrophobicContact CB-CZ2 4.47Å; I1054-W1064 HydrophobicContact CD1-CD2 3.83Å; I1054-W1064 HydrophobicContact CD1-CE3 4.01Å; I1054-W1064 HydrophobicContact CD1-CG 4.3Å; I1054-W1064 HydrophobicContact CD1-CH2 4.47Å; I1054-W1064 HydrophobicContact CD1-CZ2 4.31Å; I1054-W1064 HydrophobicContact CD1-CZ3 4.34Å; I1054-W1064 HydrophobicContact CG1-CD2 4.26Å; I1054-W1064 HydrophobicContact CG1-CZ2 4.25Å; I1054-W1064 HydrophobicContact CG2-CH2 3.8Å; I1054-W1064 HydrophobicContact CG2-CZ2 3.4Å; I1054-W1064 VanDerWaalsContact CG2-CZ2 3.4Å |
| 1055 | H | 86.4 | Confident | 85.6 | Confident | 166 Ų | 166 | 50.6 Ų | 50.6 | 77% | 0.769 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -15.4 | 172.6 | -71.3 | -53.6 | 0 | 0 | 0 | 114.4 | N1051 V1053 | N1051-H1055 PolarHBondContact O-CD2 2.83Å; N1051-H1055 PolarHBondContact O-N 3.42Å; V1053-H1055 PolarHBondContact O-N 2.8Å |
| 1056 | R | 81.3 | Confident | 85.4 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -44.5 | 176.6 | -65.7 | 166.7 | -174.4 | -88.2 | 2.6 | 112.6 | D1027 E1052 V1053 I1054 | D1027-R1056 WeakPolarHBondContact OD1-CD 3.18Å; E1052-R1056 WeakPolarHBondContact O-CD 3.29Å; E1052-R1056 WeakPolarHBondContact O-CG 3.45Å; V1053-R1056 CarbonylContact O-C 3.56Å; V1053-R1056 WeakPolarHBondContact O-CA 3.48Å; V1053-R1056 WeakPolarHBondContact O-CB 3.49Å; V1053-R1056 PolarHBondContact O-N 3.11Å; I1054-R1056 PolarHBondContact O-N 2.92Å |
| 1057 | R | 78 | Confident | 85.5 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | trans | -132.6 | 86.8 | 178.5 | -62 | -167.2 | -163.4 | -149.5 | 3.5 | 109.9 | E243 N1024 D1027 V1053 I1054 E1059 W1060 | E243-R1057 IonicContact OE1-CZ 3.12Å; E243-R1057 IonicContact OE1-NH1 2.76Å; E243-R1057 PolarHBondContact OE1-NH1 3.08Å; N1024-R1057 PolarHBondContact OD1-NH2 3.07Å; D1027-R1057 IonicContact OD2-CZ 3.33Å; D1027-R1057 IonicContact OD2-NE 2.67Å; D1027-R1057 PolarHBondContact OD2-NE 2.85Å; D1027-R1057 IonicContact OD2-NH2 3.84Å; D1027-R1057 PolarHBondContact OD2-NH2 2.99Å; V1053-R1057 PolarHBondContact O-N 3.37Å; I1054-R1057 CarbonylContact O-C 3.29Å; R1057-E1059 PolarHBondContact O-N 2.82Å; R1057-W1060 HydrophobicContact CB-CB 3.93Å; R1057-W1060 PolarHBondContact O-N 3.23Å | ||
| 1058 | P | 82.9 | Confident | 85.4 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 40% | 0.403 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.1 | 176.9 | 26.6 | -34.8 | 0 | 0 | 0 | 112.8 | I1054 W1060 W1064 | I1054-P1058 WeakPolarHBondContact O-CA 3.49Å; P1058-W1060 VanDerWaalsContact C-N 3.31Å; P1058-W1060 PolarHBondContact O-N 3.38Å; P1058-W1064 PolarHBondContact O-NE1 3.24Å |
| 1059 | E | 81.8 | Confident | 85.1 | Confident | 121 Ų | 121 | 41 Ų | 41 | 57% | 0.565 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.4 | 177.5 | -50 | -50.1 | 120.6 | 0 | 0 | 114 | R1057 T1061 K1090 | R1057-E1059 PolarHBondContact O-N 2.82Å; E1059-T1061 PolarHBondContact O-N 3.2Å; E1059-K1090 IonicContact OE1-NZ 2.72Å; E1059-K1090 PolarHBondContact OE1-NZ 3.38Å; E1059-K1090 WeakPolarHBondContact OE2-CE 3.48Å; E1059-K1090 IonicContact OE2-NZ 3.38Å; E1059-K1090 PolarHBondContact OE2-NZ 2.9Å |
| 1060 | W | 79.9 | Confident | 85.1 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | trans | -82.2 | 79.5 | -175.4 | -165.1 | 8.5 | 0 | 0 | 0 | 111.6 | D1027 L1031 V1053 R1057 P1058 R1062 I1063 | D1027-W1060 HydrophobicContact CB-CH2 4.46Å; D1027-W1060 HydrophobicContact CB-CZ3 3.88Å; L1031-W1060 HydrophobicContact CB-CH2 4Å; L1031-W1060 HydrophobicContact CD1-CH2 4.39Å; L1031-W1060 HydrophobicContact CD1-CZ2 4.4Å; L1031-W1060 HydrophobicContact CD2-CH2 4.02Å; L1031-W1060 HydrophobicContact CD2-CZ2 3.99Å; L1031-W1060 HydrophobicContact CG-CH2 4.37Å; V1053-W1060 HydrophobicContact CG1-CD2 4.43Å; V1053-W1060 HydrophobicContact CG1-CE3 3.31Å; V1053-W1060 HydrophobicContact CG1-CZ3 3.52Å; R1057-W1060 HydrophobicContact CB-CB 3.93Å; R1057-W1060 PolarHBondContact O-N 3.23Å; P1058-W1060 VanDerWaalsContact C-N 3.31Å; P1058-W1060 PolarHBondContact O-N 3.38Å; W1060-R1062 PolarHBondContact O-N 3.09Å; W1060-I1063 HydrophobicContact CB-CG1 4.14Å; W1060-I1063 HydrophobicContact CD2-CD1 4Å; W1060-I1063 HydrophobicContact CD2-CG1 3.58Å; W1060-I1063 HydrophobicContact CE3-CD1 3.9Å; W1060-I1063 HydrophobicContact CE3-CG1 3.66Å; W1060-I1063 HydrophobicContact CG-CG1 3.79Å; W1060-I1063 HydrophobicContact CH2-CD1 4.27Å; W1060-I1063 HydrophobicContact CZ2-CD1 4.38Å; W1060-I1063 HydrophobicContact CZ3-CD1 4.01Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.3Å; W1060-I1063 PolarHBondContact O-N 3.3Å | ||
| 1061 | T | 82 | Confident | 85.1 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 14% | 0.141 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -38.6 | -48.2 | -177.3 | -51 | 0 | 0 | 0 | 0 | 113.8 | E1059 I1063 W1064 I1065 A1087 K1090 D1091 | E1059-T1061 PolarHBondContact O-N 3.2Å; T1061-I1063 PolarHBondContact O-N 3.11Å; T1061-W1064 WeakPolarHBondContact O-CB 3.46Å; T1061-W1064 PolarHBondContact O-N 3.18Å; T1061-I1065 HydrophobicContact CG2-CD1 4.08Å; T1061-I1065 HydrophobicContact CG2-CG1 4.41Å; T1061-I1065 PolarHBondContact O-N 2.95Å; T1061-A1087 HydrophobicContact CG2-CB 4.07Å; T1061-A1087 WeakPolarHBondContact CG2-O 3.28Å; T1061-K1090 HydrophobicContact CG2-CB 4.49Å; T1061-K1090 WeakPolarHBondContact OG1-CB 3.36Å; T1061-D1091 HydrophobicContact CG2-CB 3.73Å |
| 1062 | R | 78.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51 | -37.3 | -175.7 | -150.7 | 175.6 | -167.4 | 75.5 | 34.1 | 113.5 | S180 D181 D184 W1060 I1065 Y1066 | S180-R1062 PolarHBondContact O-NH2 2.99Å; D181-R1062 VanDerWaalsContact CA-NH2 3.26Å; D181-R1062 IonicContact OD1-CZ 3.24Å; D181-R1062 IonicContact OD1-NE 3.45Å; D181-R1062 PolarHBondContact OD1-NE 3.24Å; D181-R1062 IonicContact OD1-NH2 2.88Å; D181-R1062 PolarHBondContact OD1-NH2 3.22Å; D184-R1062 IonicContact OD2-CZ 2.7Å; D184-R1062 IonicContact OD2-NH1 3.85Å; D184-R1062 PolarHBondContact OD2-NH1 3.45Å; D184-R1062 IonicContact OD2-NH2 2.68Å; D184-R1062 PolarHBondContact OD2-NH2 3.31Å; W1060-R1062 PolarHBondContact O-N 3.09Å; R1062-I1065 PolarHBondContact O-N 2.75Å; R1062-Y1066 HydrophobicContact CB-CE2 4.49Å; R1062-Y1066 VanDerWaalsContact CD-OH 3.28Å; R1062-Y1066 WeakPolarHBondContact CD-OH 3.19Å; R1062-Y1066 HydrophobicContact CG-CE1 4.21Å; R1062-Y1066 HydrophobicContact CG-CE2 4Å; R1062-Y1066 PolarHBondContact NE-OH 3.35Å; R1062-Y1066 VanDerWaalsContact NE-OH 3.16Å; R1062-Y1066 VanDerWaalsContact O-CD2 3.28Å; R1062-Y1066 WeakPolarHBondContact O-CD2 3.19Å; R1062-Y1066 PolarHBondContact O-N 3.31Å; R1062-Y1066 VanDerWaalsContact O-N 3.07Å |
| 1063 | I | 86.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72 | -36.4 | -178.5 | -51.8 | -67.3 | 0 | 0 | 0 | 112 | L1031 I1034 C1050 V1053 I1054 W1060 T1061 I1065 Y1066 R1067 | L1031-I1063 HydrophobicContact CD1-CD1 4.05Å; I1034-I1063 HydrophobicContact CD1-CD1 4Å; I1034-I1063 HydrophobicContact CD1-CG2 4.42Å; C1050-I1063 HydrophobicContact CB-CG2 3.8Å; V1053-I1063 HydrophobicContact CB-CD1 4.44Å; V1053-I1063 HydrophobicContact CB-CG1 4.41Å; V1053-I1063 HydrophobicContact CB-CG2 4.12Å; V1053-I1063 HydrophobicContact CG1-CB 4.5Å; V1053-I1063 HydrophobicContact CG1-CD1 3.88Å; V1053-I1063 HydrophobicContact CG1-CG1 3.68Å; V1053-I1063 HydrophobicContact CG1-CG2 4.26Å; I1054-I1063 HydrophobicContact CD1-CG2 4.06Å; I1054-I1063 HydrophobicContact CG1-CB 4.36Å; I1054-I1063 HydrophobicContact CG1-CG2 3.8Å; W1060-I1063 HydrophobicContact CB-CG1 4.14Å; W1060-I1063 HydrophobicContact CD2-CD1 4Å; W1060-I1063 HydrophobicContact CD2-CG1 3.58Å; W1060-I1063 HydrophobicContact CE3-CD1 3.9Å; W1060-I1063 HydrophobicContact CE3-CG1 3.66Å; W1060-I1063 HydrophobicContact CG-CG1 3.79Å; W1060-I1063 HydrophobicContact CH2-CD1 4.27Å; W1060-I1063 HydrophobicContact CZ2-CD1 4.38Å; W1060-I1063 HydrophobicContact CZ3-CD1 4.01Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.3Å; W1060-I1063 PolarHBondContact O-N 3.3Å; T1061-I1063 PolarHBondContact O-N 3.11Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1063-Y1066 HydrophobicContact CD1-CD2 4.15Å; I1063-Y1066 HydrophobicContact CD1-CE2 4.06Å; I1063-R1067 WeakPolarHBondContact O-CB 3.11Å; I1063-R1067 PolarHBondContact O-N 3.21Å |
| 1064 | W | 89 | Confident | 84.7 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.6 | -65.8 | 95.3 | 0 | 0 | 0 | 110.7 | I1054 P1058 T1061 R1067 G1068 I1086 A1087 | I1054-W1064 HydrophobicContact CB-CZ2 4.47Å; I1054-W1064 HydrophobicContact CD1-CD2 3.83Å; I1054-W1064 HydrophobicContact CD1-CE3 4.01Å; I1054-W1064 HydrophobicContact CD1-CG 4.3Å; I1054-W1064 HydrophobicContact CD1-CH2 4.47Å; I1054-W1064 HydrophobicContact CD1-CZ2 4.31Å; I1054-W1064 HydrophobicContact CD1-CZ3 4.34Å; I1054-W1064 HydrophobicContact CG1-CD2 4.26Å; I1054-W1064 HydrophobicContact CG1-CZ2 4.25Å; I1054-W1064 HydrophobicContact CG2-CH2 3.8Å; I1054-W1064 HydrophobicContact CG2-CZ2 3.4Å; I1054-W1064 VanDerWaalsContact CG2-CZ2 3.4Å; P1058-W1064 PolarHBondContact O-NE1 3.24Å; T1061-W1064 WeakPolarHBondContact O-CB 3.46Å; T1061-W1064 PolarHBondContact O-N 3.18Å; W1064-R1067 PolarHBondContact O-N 2.98Å; W1064-G1068 PolarHBondContact O-N 2.99Å; W1064-I1086 HydrophobicContact CD2-CB 4.3Å; W1064-I1086 HydrophobicContact CD2-CG2 3.65Å; W1064-I1086 HydrophobicContact CE3-CB 3.89Å; W1064-I1086 HydrophobicContact CE3-CD1 4.08Å; W1064-I1086 HydrophobicContact CE3-CG2 3.61Å; W1064-I1086 HydrophobicContact CG-CG2 4.33Å; W1064-I1086 HydrophobicContact CH2-CD1 4.09Å; W1064-I1086 HydrophobicContact CH2-CG2 3.81Å; W1064-I1086 HydrophobicContact CZ2-CG2 3.84Å; W1064-I1086 HydrophobicContact CZ3-CB 4.08Å; W1064-I1086 HydrophobicContact CZ3-CD1 3.48Å; W1064-I1086 VanDerWaalsContact CZ3-CD1 3.48Å; W1064-I1086 HydrophobicContact CZ3-CG1 4.36Å; W1064-I1086 HydrophobicContact CZ3-CG2 3.68Å; W1064-A1087 HydrophobicContact CB-CB 3.97Å |
| 1065 | I | 85.4 | Confident | 84.5 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -54 | 176.9 | -53 | 169.9 | 0 | 0 | 0 | 110.3 | T1061 R1062 I1063 R1067 G1068 V1069 L1084 A1087 S1094 L1096 A1097 | T1061-I1065 HydrophobicContact CG2-CD1 4.08Å; T1061-I1065 HydrophobicContact CG2-CG1 4.41Å; T1061-I1065 PolarHBondContact O-N 2.95Å; R1062-I1065 PolarHBondContact O-N 2.75Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1065-R1067 VanDerWaalsContact C-N 3.25Å; I1065-R1067 PolarHBondContact O-N 2.5Å; I1065-G1068 CarbonylContact O-C 3.55Å; I1065-G1068 WeakPolarHBondContact O-CA 3.35Å; I1065-G1068 PolarHBondContact O-N 2.9Å; I1065-V1069 HydrophobicContact CG2-CG2 4.24Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.45Å; I1065-V1069 PolarHBondContact O-N 3.46Å; I1065-L1084 HydrophobicContact CG2-CD2 4.13Å; I1065-A1087 HydrophobicContact CG1-CB 3.65Å; I1065-S1094 WeakPolarHBondContact CD1-OG 3.47Å; I1065-L1096 HydrophobicContact CD1-CD2 4.34Å; I1065-L1096 HydrophobicContact CG2-CD2 3.78Å; I1065-L1096 HydrophobicContact CG2-CG 3.9Å; I1065-A1097 HydrophobicContact CD1-CB 4.12Å; I1065-A1097 HydrophobicContact CG1-CB 4.07Å |
| 1066 | Y | 83.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.6 | -42.9 | 177.5 | -54.5 | -46.5 | 0 | 0 | 0 | 112.1 | I177 D181 L1031 I1034 R1062 I1063 G1068 V1069 F1070 | I177-Y1066 HydrophobicContact CG1-CD1 4.45Å; I177-Y1066 HydrophobicContact CG2-CD1 3.8Å; I177-Y1066 HydrophobicContact CG2-CE1 3.89Å; D181-Y1066 WeakPolarHBondContact OD1-CE1 3.4Å; D181-Y1066 PolarHBondContact OD1-OH 2.91Å; D181-Y1066 PolarHBondContact OD2-OH 2.92Å; L1031-Y1066 HydrophobicContact CD1-CE2 3.54Å; I1034-Y1066 HydrophobicContact CG2-CD2 4.06Å; I1034-Y1066 HydrophobicContact CG2-CG 4.49Å; R1062-Y1066 HydrophobicContact CB-CE2 4.49Å; R1062-Y1066 VanDerWaalsContact CD-OH 3.28Å; R1062-Y1066 WeakPolarHBondContact CD-OH 3.19Å; R1062-Y1066 HydrophobicContact CG-CE1 4.21Å; R1062-Y1066 HydrophobicContact CG-CE2 4Å; R1062-Y1066 PolarHBondContact NE-OH 3.35Å; R1062-Y1066 VanDerWaalsContact NE-OH 3.16Å; R1062-Y1066 VanDerWaalsContact O-CD2 3.28Å; R1062-Y1066 WeakPolarHBondContact O-CD2 3.19Å; R1062-Y1066 PolarHBondContact O-N 3.31Å; R1062-Y1066 VanDerWaalsContact O-N 3.07Å; I1063-Y1066 HydrophobicContact CD1-CD2 4.15Å; I1063-Y1066 HydrophobicContact CD1-CE2 4.06Å; Y1066-G1068 VanDerWaalsContact C-N 3.3Å; Y1066-G1068 PolarHBondContact O-N 2.96Å; Y1066-V1069 PolarHBondContact O-N 2.87Å; Y1066-F1070 WeakPolarHBondContact O-CB 3.42Å; Y1066-F1070 WeakPolarHBondContact O-CD2 3.4Å; Y1066-F1070 VanDerWaalsContact O-CG 3.25Å; Y1066-F1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-F1070 PolarHBondContact O-N 3.46Å |
| 1067 | R | 89.9 | Confident | 85 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 179.6 | -158.5 | 179.8 | 72.7 | -174.8 | -4.2 | 111.4 | I1047 C1050 N1051 I1063 W1064 I1065 K1071 D1083 | I1047-R1067 HydrophobicContact CB-CG 4.45Å; I1047-R1067 HydrophobicContact CG1-CG 4.17Å; I1047-R1067 HydrophobicContact CG2-CG 4.04Å; C1050-R1067 HydrophobicContact CB-CB 3.95Å; C1050-R1067 HydrophobicContact CB-CG 3.94Å; N1051-R1067 WeakPolarHBondContact OD1-CD 3.43Å; N1051-R1067 PolarHBondContact OD1-NH1 3.48Å; I1063-R1067 WeakPolarHBondContact O-CB 3.11Å; I1063-R1067 PolarHBondContact O-N 3.21Å; W1064-R1067 PolarHBondContact O-N 2.98Å; I1065-R1067 VanDerWaalsContact C-N 3.25Å; I1065-R1067 PolarHBondContact O-N 2.5Å; R1067-K1071 WeakPolarHBondContact O-CD 3.5Å; R1067-K1071 VanDerWaalsContact O-CG 3.26Å; R1067-K1071 WeakPolarHBondContact O-CG 3.36Å; R1067-K1071 PolarHBondContact O-N 2.91Å; R1067-D1083 WeakPolarHBondContact CB-OD2 3.34Å; R1067-D1083 VanDerWaalsContact CG-OD2 3.31Å; R1067-D1083 WeakPolarHBondContact CG-OD2 3.37Å; R1067-D1083 IonicContact CZ-OD1 3.19Å; R1067-D1083 IonicContact CZ-OD2 2.86Å; R1067-D1083 IonicContact NE-OD1 3.63Å; R1067-D1083 PolarHBondContact NE-OD1 3.27Å; R1067-D1083 IonicContact NE-OD2 3.19Å; R1067-D1083 PolarHBondContact NE-OD2 3.03Å; R1067-D1083 IonicContact NH2-OD1 3.78Å; R1067-D1083 PolarHBondContact NH2-OD1 3.43Å; R1067-D1083 IonicContact NH2-OD2 2.69Å |
| 1068 | G | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.4 | -56.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1064 I1065 Y1066 F1070 K1071 Y1072 C1080 D1083 | W1064-G1068 PolarHBondContact O-N 2.99Å; I1065-G1068 CarbonylContact O-C 3.55Å; I1065-G1068 WeakPolarHBondContact O-CA 3.35Å; I1065-G1068 PolarHBondContact O-N 2.9Å; Y1066-G1068 VanDerWaalsContact C-N 3.3Å; Y1066-G1068 PolarHBondContact O-N 2.96Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å; G1068-F1070 PolarHBondContact O-N 3.33Å; G1068-K1071 CarbonylContact O-C 3.53Å; G1068-K1071 WeakPolarHBondContact O-CA 3.44Å; G1068-K1071 WeakPolarHBondContact O-CB 3.42Å; G1068-K1071 PolarHBondContact O-N 3.48Å; G1068-Y1072 PolarHBondContact O-N 3.31Å; G1068-C1080 VanDerWaalsContact C-SG 3.5Å; G1068-C1080 PolarHBondContact O-SG 3.4Å; G1068-D1083 PolarHBondContact N-OD2 3.22Å |
| 1069 | V | 85.2 | Confident | 86 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | -177 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | P173 I177 I1065 Y1066 K1071 Y1072 L1073 H1100 | P173-V1069 HydrophobicContact CB-CG1 3.44Å; P173-V1069 VanDerWaalsContact CB-CG1 3.44Å; I177-V1069 HydrophobicContact CD1-CB 3.9Å; I177-V1069 HydrophobicContact CD1-CG1 3.66Å; I177-V1069 HydrophobicContact CG1-CB 4.17Å; I177-V1069 HydrophobicContact CG1-CG1 3.94Å; I177-V1069 HydrophobicContact CG1-CG2 4.48Å; I1065-V1069 HydrophobicContact CG2-CG2 4.24Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.45Å; I1065-V1069 PolarHBondContact O-N 3.46Å; Y1066-V1069 PolarHBondContact O-N 2.87Å; V1069-K1071 VanDerWaalsContact C-N 3.28Å; V1069-K1071 PolarHBondContact O-N 3.32Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.43Å; V1069-Y1072 PolarHBondContact O-N 3.46Å; V1069-L1073 HydrophobicContact CG1-CD1 4.04Å; V1069-L1073 HydrophobicContact CG1-CG 4.42Å; V1069-L1073 WeakPolarHBondContact O-CB 3.38Å; V1069-L1073 VanDerWaalsContact O-CG 3.31Å; V1069-L1073 WeakPolarHBondContact O-CG 3.49Å; V1069-L1073 PolarHBondContact O-N 3.48Å; V1069-H1100 WeakPolarHBondContact CG2-CD2 3.44Å; V1069-H1100 VanDerWaalsContact CG2-NE2 3.29Å; V1069-H1100 WeakPolarHBondContact CG2-NE2 2.98Å |
| 1070 | F | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -30.7 | 173.7 | -65.5 | -40.8 | 0 | 0 | 0 | 113.4 | I177 I1034 G1038 Y1043 A1046 I1047 Y1066 G1068 L1073 L1074 | I177-F1070 HydrophobicContact CD1-CD1 3.97Å; I177-F1070 HydrophobicContact CD1-CE1 3.44Å; I177-F1070 VanDerWaalsContact CD1-CE1 3.44Å; I177-F1070 HydrophobicContact CD1-CZ 3.91Å; I1034-F1070 HydrophobicContact CG2-CE2 3.61Å; I1034-F1070 HydrophobicContact CG2-CZ 4.11Å; G1038-F1070 VanDerWaalsContact CA-CE1 3.43Å; Y1043-F1070 AromaticContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CE1 4.1Å; Y1043-F1070 HydrophobicContact CD1-CG 4.42Å; Y1043-F1070 HydrophobicContact CE1-CD1 4.28Å; Y1043-F1070 HydrophobicContact CG-CD1 4.28Å; A1046-F1070 HydrophobicContact CB-CD1 4.45Å; A1046-F1070 HydrophobicContact CB-CD2 3.67Å; A1046-F1070 HydrophobicContact CB-CE1 4.27Å; A1046-F1070 HydrophobicContact CB-CE2 3.48Å; A1046-F1070 VanDerWaalsContact CB-CE2 3.48Å; A1046-F1070 HydrophobicContact CB-CG 4.18Å; A1046-F1070 HydrophobicContact CB-CZ 3.8Å; I1047-F1070 HydrophobicContact CD1-CB 3.82Å; I1047-F1070 HydrophobicContact CG1-CB 3.66Å; I1047-F1070 HydrophobicContact CG1-CD2 4.34Å; I1047-F1070 HydrophobicContact CG1-CG 4.43Å; Y1066-F1070 WeakPolarHBondContact O-CB 3.42Å; Y1066-F1070 WeakPolarHBondContact O-CD2 3.4Å; Y1066-F1070 VanDerWaalsContact O-CG 3.25Å; Y1066-F1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-F1070 PolarHBondContact O-N 3.46Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å; G1068-F1070 PolarHBondContact O-N 3.33Å; F1070-L1073 HydrophobicContact CD1-CD1 4.28Å; F1070-L1074 WeakPolarHBondContact O-CB 3.41Å; F1070-L1074 VanDerWaalsContact O-CG 3.25Å; F1070-L1074 WeakPolarHBondContact O-CG 3.29Å; F1070-L1074 PolarHBondContact O-N 3.47Å; F1070-L1074 VanDerWaalsContact O-N 3.11Å |
| 1071 | K | 89.7 | Confident | 87.1 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74 | -40 | 171.3 | -71 | 164.5 | 165.7 | -177.6 | 0 | 112 | I1047 R1067 G1068 V1069 L1073 L1074 K1075 T1076 F1079 C1080 D1083 | I1047-K1071 HydrophobicContact CD1-CG 4.03Å; R1067-K1071 WeakPolarHBondContact O-CD 3.5Å; R1067-K1071 VanDerWaalsContact O-CG 3.26Å; R1067-K1071 WeakPolarHBondContact O-CG 3.36Å; R1067-K1071 PolarHBondContact O-N 2.91Å; G1068-K1071 CarbonylContact O-C 3.53Å; G1068-K1071 WeakPolarHBondContact O-CA 3.44Å; G1068-K1071 WeakPolarHBondContact O-CB 3.42Å; G1068-K1071 PolarHBondContact O-N 3.48Å; V1069-K1071 VanDerWaalsContact C-N 3.28Å; V1069-K1071 PolarHBondContact O-N 3.32Å; K1071-L1073 VanDerWaalsContact C-N 3.32Å; K1071-L1073 PolarHBondContact O-N 2.91Å; K1071-L1074 CarbonylContact O-C 3.48Å; K1071-L1074 WeakPolarHBondContact O-CA 3.4Å; K1071-L1074 PolarHBondContact O-N 3.16Å; K1071-L1074 VanDerWaalsContact O-N 3.13Å; K1071-K1075 PolarHBondContact O-N 3.37Å; K1071-T1076 WeakPolarHBondContact CA-OG1 3.39Å; K1071-T1076 WeakPolarHBondContact CB-OG1 3.28Å; K1071-T1076 PolarHBondContact O-N 3.09Å; K1071-T1076 PolarHBondContact O-OG1 3.05Å; K1071-F1079 HydrophobicContact CD-CB 3.73Å; K1071-F1079 WeakPolarHBondContact CD-O 3.3Å; K1071-F1079 HydrophobicContact CG-CB 4.46Å; K1071-F1079 PolarHBondContact NZ-O 3.45Å; K1071-C1080 HydrophobicContact CB-CB 4.08Å; K1071-D1083 WeakPolarHBondContact CD-OD2 3.46Å; K1071-D1083 VanDerWaalsContact CE-OD2 3.27Å; K1071-D1083 WeakPolarHBondContact CE-OD2 3.43Å; K1071-D1083 IonicContact NZ-OD1 2.69Å; K1071-D1083 PolarHBondContact NZ-OD1 2.87Å; K1071-D1083 IonicContact NZ-OD2 3.89Å; K1071-D1083 PolarHBondContact NZ-OD2 3.48Å |
| 1072 | Y | 86 | Confident | 87.6 | Confident | 38 Ų | 38 | 41 Ų | 41 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 171.6 | -179.1 | -81.8 | 0 | 0 | 0 | 111.4 | P173 G1068 V1069 L1074 K1075 Y1077 L1103 I1107 | P173-Y1072 HydrophobicContact CG-CD1 3.75Å; P173-Y1072 HydrophobicContact CG-CE1 3.56Å; G1068-Y1072 PolarHBondContact O-N 3.31Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.43Å; V1069-Y1072 PolarHBondContact O-N 3.46Å; Y1072-L1074 VanDerWaalsContact C-N 3.3Å; Y1072-L1074 PolarHBondContact O-N 2.87Å; Y1072-K1075 WeakPolarHBondContact O-CA 3.43Å; Y1072-K1075 PolarHBondContact O-N 3.12Å; Y1072-Y1077 AromaticContact CD2-CD1 3.76Å; Y1072-Y1077 HydrophobicContact CD2-CD1 3.76Å; Y1072-Y1077 AromaticContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CE2-CD1 4.19Å; Y1072-Y1077 HydrophobicContact CE2-CE1 4.1Å; Y1072-Y1077 HydrophobicContact CG-CD1 4.29Å; Y1072-Y1077 HydrophobicContact CG-CE1 4.25Å; Y1072-L1103 HydrophobicContact CE2-CB 3.75Å; Y1072-I1107 HydrophobicContact CE2-CD1 3.57Å |
| 1073 | L | 80.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | 176 | -70.2 | 164.4 | 0 | 0 | 0 | 112.9 | P173 I174 I177 Y1043 V1069 F1070 K1071 K1075 | P173-L1073 HydrophobicContact CB-CD2 4.22Å; P173-L1073 HydrophobicContact CB-CG 4.41Å; P173-L1073 HydrophobicContact CG-CD2 4.25Å; I174-L1073 HydrophobicContact CD1-CD2 4.43Å; I174-L1073 HydrophobicContact CG1-CD1 3.81Å; I174-L1073 HydrophobicContact CG1-CD2 3.77Å; I174-L1073 HydrophobicContact CG1-CG 4.48Å; I177-L1073 HydrophobicContact CD1-CD1 4.49Å; Y1043-L1073 HydrophobicContact CD1-CD1 4.21Å; Y1043-L1073 HydrophobicContact CD2-CB 3.96Å; Y1043-L1073 HydrophobicContact CE1-CB 4.36Å; Y1043-L1073 HydrophobicContact CE1-CD1 3.74Å; Y1043-L1073 HydrophobicContact CE2-CB 3.75Å; Y1043-L1073 HydrophobicContact CG-CB 4.37Å; V1069-L1073 HydrophobicContact CG1-CD1 4.04Å; V1069-L1073 HydrophobicContact CG1-CG 4.42Å; V1069-L1073 WeakPolarHBondContact O-CB 3.38Å; V1069-L1073 VanDerWaalsContact O-CG 3.31Å; V1069-L1073 WeakPolarHBondContact O-CG 3.49Å; V1069-L1073 PolarHBondContact O-N 3.48Å; F1070-L1073 HydrophobicContact CD1-CD1 4.28Å; K1071-L1073 VanDerWaalsContact C-N 3.32Å; K1071-L1073 PolarHBondContact O-N 2.91Å; L1073-K1075 PolarHBondContact O-N 3.35Å |
| 1074 | L | 86.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.366 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.6 | 169 | -71.1 | 170.8 | 0 | 0 | 0 | 113.8 | Y1043 T1044 I1047 F1070 K1071 Y1072 T1076 | Y1043-L1074 HydrophobicContact CD2-CD2 4.03Å; Y1043-L1074 HydrophobicContact CD2-CG 4.1Å; Y1043-L1074 HydrophobicContact CG-CG 4.45Å; T1044-L1074 HydrophobicContact CG2-CD1 4.04Å; T1044-L1074 HydrophobicContact CG2-CD2 4.33Å; I1047-L1074 HydrophobicContact CD1-CD1 3.65Å; F1070-L1074 WeakPolarHBondContact O-CB 3.41Å; F1070-L1074 VanDerWaalsContact O-CG 3.25Å; F1070-L1074 WeakPolarHBondContact O-CG 3.29Å; F1070-L1074 PolarHBondContact O-N 3.47Å; F1070-L1074 VanDerWaalsContact O-N 3.11Å; K1071-L1074 CarbonylContact O-C 3.48Å; K1071-L1074 WeakPolarHBondContact O-CA 3.4Å; K1071-L1074 PolarHBondContact O-N 3.16Å; K1071-L1074 VanDerWaalsContact O-N 3.13Å; Y1072-L1074 VanDerWaalsContact C-N 3.3Å; Y1072-L1074 PolarHBondContact O-N 2.87Å; L1074-T1076 PolarHBondContact O-N 3.16Å |
| 1075 | K | 85.3 | Confident | 88.7 | Confident | 152 Ų | 152 | 39.7 Ų | 39.7 | 66% | 0.661 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 23.7 | -177.2 | -51.1 | -178.5 | -178.5 | 176 | 0 | 114.4 | K1071 Y1072 L1073 Y1077 | K1071-K1075 PolarHBondContact O-N 3.37Å; Y1072-K1075 WeakPolarHBondContact O-CA 3.43Å; Y1072-K1075 PolarHBondContact O-N 3.12Å; L1073-K1075 PolarHBondContact O-N 3.35Å; K1075-Y1077 HydrophobicContact CB-CE1 4.4Å; K1075-Y1077 HydrophobicContact CB-CE2 4.12Å; K1075-Y1077 PolarHBondContact O-N 3.31Å |
| 1076 | T | 88.9 | Confident | 89 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | trans | -97.9 | 61.8 | 176.9 | 48 | 0 | 0 | 0 | 0 | 110.7 | K1071 L1074 D1078 F1079 C1080 | K1071-T1076 WeakPolarHBondContact CA-OG1 3.39Å; K1071-T1076 WeakPolarHBondContact CB-OG1 3.28Å; K1071-T1076 PolarHBondContact O-N 3.09Å; K1071-T1076 PolarHBondContact O-OG1 3.05Å; L1074-T1076 PolarHBondContact O-N 3.16Å; T1076-D1078 VanDerWaalsContact C-N 3.31Å; T1076-D1078 PolarHBondContact O-N 3.01Å; T1076-F1079 PolarHBondContact O-N 2.95Å; T1076-C1080 PolarHBondContact O-N 3.34Å | ||
| 1077 | Y | 89.1 | Confident | 89.2 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -34.2 | -168.7 | -47.7 | -64.6 | 0 | 0 | 0 | 113.9 | Y1072 K1075 F1079 C1080 E1081 I1107 Y1108 | Y1072-Y1077 AromaticContact CD2-CD1 3.76Å; Y1072-Y1077 HydrophobicContact CD2-CD1 3.76Å; Y1072-Y1077 AromaticContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CE2-CD1 4.19Å; Y1072-Y1077 HydrophobicContact CE2-CE1 4.1Å; Y1072-Y1077 HydrophobicContact CG-CD1 4.29Å; Y1072-Y1077 HydrophobicContact CG-CE1 4.25Å; K1075-Y1077 HydrophobicContact CB-CE1 4.4Å; K1075-Y1077 HydrophobicContact CB-CE2 4.12Å; K1075-Y1077 PolarHBondContact O-N 3.31Å; Y1077-F1079 VanDerWaalsContact C-N 3.28Å; Y1077-F1079 PolarHBondContact O-N 3.11Å; Y1077-C1080 CarbonylContact O-C 3.57Å; Y1077-C1080 WeakPolarHBondContact O-CA 3.47Å; Y1077-C1080 VanDerWaalsContact O-CB 3.24Å; Y1077-C1080 WeakPolarHBondContact O-CB 3.39Å; Y1077-C1080 PolarHBondContact O-N 2.73Å; Y1077-E1081 PolarHBondContact O-N 3.19Å; Y1077-I1107 HydrophobicContact CD1-CD1 4.06Å; Y1077-I1107 HydrophobicContact CD2-CG2 3.94Å; Y1077-I1107 HydrophobicContact CE1-CD1 3.51Å; Y1077-I1107 HydrophobicContact CE2-CD1 4.41Å; Y1077-I1107 HydrophobicContact CE2-CG2 3.77Å; Y1077-I1107 HydrophobicContact CG-CG2 4.41Å; Y1077-Y1108 WeakPolarHBondContact CB-OH 3.43Å |
| 1078 | D | 90 | Very high | 89.2 | Confident | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.3 | -38.8 | -177.7 | -35.3 | -73 | 0 | 0 | 0 | 110.8 | T1076 C1080 A1082 Y1108 | T1076-D1078 VanDerWaalsContact C-N 3.31Å; T1076-D1078 PolarHBondContact O-N 3.01Å; D1078-C1080 VanDerWaalsContact C-N 3.3Å; D1078-A1082 PolarHBondContact O-N 3.48Å; D1078-Y1108 WeakPolarHBondContact CA-OH 3.36Å; D1078-Y1108 VanDerWaalsContact CG-OH 3.27Å; D1078-Y1108 PolarHBondContact N-OH 3.14Å; D1078-Y1108 PolarHBondContact OD1-OH 3.41Å |
| 1079 | F | 91.4 | Very high | 89.3 | Confident | 130 Ų | 130 | 47.9 Ų | 47.9 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -75.8 | -19.7 | 175.1 | -63 | -79.4 | 0 | 0 | 0 | 112.4 | K1071 T1076 Y1077 D1083 | K1071-F1079 HydrophobicContact CD-CB 3.73Å; K1071-F1079 WeakPolarHBondContact CD-O 3.3Å; K1071-F1079 HydrophobicContact CG-CB 4.46Å; K1071-F1079 PolarHBondContact NZ-O 3.45Å; T1076-F1079 PolarHBondContact O-N 2.95Å; Y1077-F1079 VanDerWaalsContact C-N 3.28Å; Y1077-F1079 PolarHBondContact O-N 3.11Å; F1079-D1083 PolarHBondContact O-N 3.39Å |
| 1080 | C | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.8 | -52.2 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | G1068 K1071 T1076 Y1077 D1078 A1082 D1083 L1084 | G1068-C1080 VanDerWaalsContact C-SG 3.5Å; G1068-C1080 PolarHBondContact O-SG 3.4Å; K1071-C1080 HydrophobicContact CB-CB 4.08Å; T1076-C1080 PolarHBondContact O-N 3.34Å; Y1077-C1080 CarbonylContact O-C 3.57Å; Y1077-C1080 WeakPolarHBondContact O-CA 3.47Å; Y1077-C1080 VanDerWaalsContact O-CB 3.24Å; Y1077-C1080 WeakPolarHBondContact O-CB 3.39Å; Y1077-C1080 PolarHBondContact O-N 2.73Å; D1078-C1080 VanDerWaalsContact C-N 3.3Å; C1080-A1082 PolarHBondContact O-N 3.36Å; C1080-D1083 PolarHBondContact O-N 2.91Å; C1080-L1084 WeakPolarHBondContact O-CG 3.5Å; C1080-L1084 PolarHBondContact O-N 3.4Å; C1080-L1084 VanDerWaalsContact SG-CD1 3.5Å |
| 1081 | E | 92.2 | Very high | 89.1 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.5 | -41.7 | 175.9 | -174.7 | 170.6 | -178.3 | 0 | 0 | 110.8 | Y1077 D1083 L1084 N1085 R1101 H1105 Y1108 K1110 | Y1077-E1081 PolarHBondContact O-N 3.19Å; E1081-D1083 PolarHBondContact O-N 2.91Å; E1081-L1084 PolarHBondContact O-N 3.25Å; E1081-N1085 WeakPolarHBondContact O-CB 3.45Å; E1081-N1085 PolarHBondContact O-N 3.46Å; E1081-N1085 PolarHBondContact O-ND2 3.42Å; E1081-R1101 HydrophobicContact CG-CG 4.38Å; E1081-H1105 IonicContact OE1-CD2 3.97Å; E1081-H1105 IonicContact OE1-CE1 2.63Å; E1081-H1105 IonicContact OE1-NE2 3.14Å; E1081-H1105 PolarHBondContact OE1-NE2 2.98Å; E1081-H1105 IonicContact OE2-CD2 3.41Å; E1081-H1105 IonicContact OE2-NE2 3.13Å; E1081-Y1108 WeakPolarHBondContact OE2-CE2 3.2Å; E1081-K1110 IonicContact OE1-NZ 3.66Å; E1081-K1110 PolarHBondContact OE1-NZ 2.93Å; E1081-K1110 VanDerWaalsContact OE1-NZ 3.08Å; E1081-K1110 IonicContact OE2-NZ 3.16Å; E1081-K1110 PolarHBondContact OE2-NZ 3.48Å |
| 1082 | A | 93 | Very high | 88.9 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1078 C1080 I1086 | D1078-A1082 PolarHBondContact O-N 3.48Å; C1080-A1082 PolarHBondContact O-N 3.36Å; A1082-I1086 WeakPolarHBondContact O-CD1 3.04Å; A1082-I1086 WeakPolarHBondContact O-CG1 3.11Å |
| 1083 | D | 91.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 177.4 | -80.5 | 4.3 | 0 | 0 | 0 | 112.1 | R1067 G1068 K1071 F1079 C1080 E1081 I1086 A1087 | R1067-D1083 WeakPolarHBondContact CB-OD2 3.34Å; R1067-D1083 VanDerWaalsContact CG-OD2 3.31Å; R1067-D1083 WeakPolarHBondContact CG-OD2 3.37Å; R1067-D1083 IonicContact CZ-OD1 3.19Å; R1067-D1083 IonicContact CZ-OD2 2.86Å; R1067-D1083 IonicContact NE-OD1 3.63Å; R1067-D1083 PolarHBondContact NE-OD1 3.27Å; R1067-D1083 IonicContact NE-OD2 3.19Å; R1067-D1083 PolarHBondContact NE-OD2 3.03Å; R1067-D1083 IonicContact NH2-OD1 3.78Å; R1067-D1083 PolarHBondContact NH2-OD1 3.43Å; R1067-D1083 IonicContact NH2-OD2 2.69Å; G1068-D1083 PolarHBondContact N-OD2 3.22Å; K1071-D1083 WeakPolarHBondContact CD-OD2 3.46Å; K1071-D1083 VanDerWaalsContact CE-OD2 3.27Å; K1071-D1083 WeakPolarHBondContact CE-OD2 3.43Å; K1071-D1083 IonicContact NZ-OD1 2.69Å; K1071-D1083 PolarHBondContact NZ-OD1 2.87Å; K1071-D1083 IonicContact NZ-OD2 3.89Å; K1071-D1083 PolarHBondContact NZ-OD2 3.48Å; F1079-D1083 PolarHBondContact O-N 3.39Å; C1080-D1083 PolarHBondContact O-N 2.91Å; E1081-D1083 PolarHBondContact O-N 2.91Å; D1083-I1086 PolarHBondContact O-N 2.96Å; D1083-A1087 PolarHBondContact O-N 3.47Å |
| 1084 | L | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.3 | -35 | -179.9 | -64.4 | 174.8 | 0 | 0 | 0 | 111.8 | I1065 C1080 E1081 I1086 A1087 I1088 H1100 R1101 | I1065-L1084 HydrophobicContact CG2-CD2 4.13Å; C1080-L1084 WeakPolarHBondContact O-CG 3.5Å; C1080-L1084 PolarHBondContact O-N 3.4Å; C1080-L1084 VanDerWaalsContact SG-CD1 3.5Å; E1081-L1084 PolarHBondContact O-N 3.25Å; L1084-I1086 VanDerWaalsContact C-N 3.33Å; L1084-I1086 PolarHBondContact O-N 3.44Å; L1084-A1087 WeakPolarHBondContact O-CB 3.41Å; L1084-A1087 PolarHBondContact O-N 3.37Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.17Å; L1084-I1088 PolarHBondContact O-N 3.24Å; L1084-H1100 VanDerWaalsContact CD1-C 3.47Å; L1084-H1100 HydrophobicContact CD1-CB 3.59Å; L1084-H1100 HydrophobicContact CD2-CB 4.14Å; L1084-R1101 HydrophobicContact CB-CB 4.31Å; L1084-R1101 HydrophobicContact CD1-CB 4.02Å |
| 1085 | N | 93.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 170.7 | -73.2 | -21.1 | 0 | 0 | 0 | 111.3 | E1081 A1087 I1088 E1089 R1101 | E1081-N1085 WeakPolarHBondContact O-CB 3.45Å; E1081-N1085 PolarHBondContact O-N 3.46Å; E1081-N1085 PolarHBondContact O-ND2 3.42Å; N1085-A1087 VanDerWaalsContact C-N 3.32Å; N1085-A1087 PolarHBondContact O-N 3.28Å; N1085-I1088 PolarHBondContact O-N 2.96Å; N1085-E1089 WeakPolarHBondContact O-CG 3.15Å; N1085-E1089 PolarHBondContact O-N 3.49Å; N1085-R1101 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1101 PolarHBondContact OD1-NH1 3.37Å |
| 1086 | I | 92.4 | Very high | 88.3 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 175.5 | -62 | 165.6 | 0 | 0 | 0 | 111.2 | W1064 A1082 D1083 L1084 E1089 K1090 | W1064-I1086 HydrophobicContact CD2-CB 4.3Å; W1064-I1086 HydrophobicContact CD2-CG2 3.65Å; W1064-I1086 HydrophobicContact CE3-CB 3.89Å; W1064-I1086 HydrophobicContact CE3-CD1 4.08Å; W1064-I1086 HydrophobicContact CE3-CG2 3.61Å; W1064-I1086 HydrophobicContact CG-CG2 4.33Å; W1064-I1086 HydrophobicContact CH2-CD1 4.09Å; W1064-I1086 HydrophobicContact CH2-CG2 3.81Å; W1064-I1086 HydrophobicContact CZ2-CG2 3.84Å; W1064-I1086 HydrophobicContact CZ3-CB 4.08Å; W1064-I1086 HydrophobicContact CZ3-CD1 3.48Å; W1064-I1086 VanDerWaalsContact CZ3-CD1 3.48Å; W1064-I1086 HydrophobicContact CZ3-CG1 4.36Å; W1064-I1086 HydrophobicContact CZ3-CG2 3.68Å; A1082-I1086 WeakPolarHBondContact O-CD1 3.04Å; A1082-I1086 WeakPolarHBondContact O-CG1 3.11Å; D1083-I1086 PolarHBondContact O-N 2.96Å; L1084-I1086 VanDerWaalsContact C-N 3.33Å; L1084-I1086 PolarHBondContact O-N 3.44Å; I1086-E1089 PolarHBondContact O-N 3.45Å; I1086-K1090 WeakPolarHBondContact O-CG 3.46Å; I1086-K1090 PolarHBondContact O-N 3.07Å; I1086-K1090 VanDerWaalsContact O-N 3.12Å |
| 1087 | A | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1061 W1064 I1065 D1083 L1084 N1085 K1090 D1091 A1097 | T1061-A1087 HydrophobicContact CG2-CB 4.07Å; T1061-A1087 WeakPolarHBondContact CG2-O 3.28Å; W1064-A1087 HydrophobicContact CB-CB 3.97Å; I1065-A1087 HydrophobicContact CG1-CB 3.65Å; D1083-A1087 PolarHBondContact O-N 3.47Å; L1084-A1087 WeakPolarHBondContact O-CB 3.41Å; L1084-A1087 PolarHBondContact O-N 3.37Å; N1085-A1087 VanDerWaalsContact C-N 3.32Å; N1085-A1087 PolarHBondContact O-N 3.28Å; A1087-K1090 PolarHBondContact O-N 3.45Å; A1087-K1090 VanDerWaalsContact O-N 3.16Å; A1087-D1091 PolarHBondContact O-N 3.07Å; A1087-A1097 HydrophobicContact CB-CB 4.03Å |
| 1088 | I | 89.6 | Confident | 88.2 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 178 | -66.5 | 162.9 | 0 | 0 | 0 | 111.6 | L1084 N1085 K1090 D1091 Q1092 A1097 Y1098 | L1084-I1088 WeakPolarHBondContact O-CG1 3.17Å; L1084-I1088 PolarHBondContact O-N 3.24Å; N1085-I1088 PolarHBondContact O-N 2.96Å; I1088-K1090 VanDerWaalsContact C-N 3.28Å; I1088-K1090 PolarHBondContact O-N 2.98Å; I1088-D1091 CarbonylContact O-C 3.24Å; I1088-Q1092 WeakPolarHBondContact O-CG 3.16Å; I1088-Q1092 PolarHBondContact O-N 3.43Å; I1088-A1097 HydrophobicContact CD1-CB 4.38Å; I1088-A1097 HydrophobicContact CG1-CB 3.76Å; I1088-Y1098 HydrophobicContact CD1-CD1 3.89Å; I1088-Y1098 HydrophobicContact CD1-CE1 4.02Å; I1088-Y1098 HydrophobicContact CD1-CG 4.2Å; I1088-Y1098 HydrophobicContact CG1-CD2 4.45Å; I1088-Y1098 HydrophobicContact CG1-CE1 4.47Å; I1088-Y1098 HydrophobicContact CG1-CE2 4.36Å; I1088-Y1098 HydrophobicContact CG2-CE1 4.15Å; I1088-Y1098 HydrophobicContact CG2-CE2 4.23Å |
| 1089 | E | 91 | Very high | 88.1 | Confident | 145 Ų | 145 | 48 Ų | 48 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64 | -31.4 | 170.7 | -75.3 | 174.2 | -167.8 | 0 | 0 | 112.8 | N1085 I1086 | N1085-E1089 WeakPolarHBondContact O-CG 3.15Å; N1085-E1089 PolarHBondContact O-N 3.49Å; I1086-E1089 PolarHBondContact O-N 3.45Å |
| 1090 | K | 86.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 41.8 Ų | 41.8 | 37% | 0.365 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -84.2 | -38.9 | 176.6 | -67.5 | -53.7 | -168.9 | 178.4 | 0 | 113.5 | E1059 T1061 I1086 A1087 I1088 | E1059-K1090 IonicContact OE1-NZ 2.72Å; E1059-K1090 PolarHBondContact OE1-NZ 3.38Å; E1059-K1090 WeakPolarHBondContact OE2-CE 3.48Å; E1059-K1090 IonicContact OE2-NZ 3.38Å; E1059-K1090 PolarHBondContact OE2-NZ 2.9Å; T1061-K1090 HydrophobicContact CG2-CB 4.49Å; T1061-K1090 WeakPolarHBondContact OG1-CB 3.36Å; I1086-K1090 WeakPolarHBondContact O-CG 3.46Å; I1086-K1090 PolarHBondContact O-N 3.07Å; I1086-K1090 VanDerWaalsContact O-N 3.12Å; A1087-K1090 PolarHBondContact O-N 3.45Å; A1087-K1090 VanDerWaalsContact O-N 3.16Å; I1088-K1090 VanDerWaalsContact C-N 3.28Å; I1088-K1090 PolarHBondContact O-N 2.98Å |
| 1091 | D | 81.8 | Confident | 87.7 | Confident | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | trans | -138.3 | 98.6 | 176.2 | 178.3 | 16.2 | 0 | 0 | 0 | 111.1 | T1061 A1087 I1088 R1093 S1094 | T1061-D1091 HydrophobicContact CG2-CB 3.73Å; A1087-D1091 PolarHBondContact O-N 3.07Å; I1088-D1091 CarbonylContact O-C 3.24Å; D1091-R1093 PolarHBondContact O-N 2.82Å; D1091-R1093 WeakPolarHBondContact OD1-CA 3.02Å; D1091-R1093 PolarHBondContact OD1-N 3.35Å; D1091-S1094 WeakPolarHBondContact O-CB 3.35Å; D1091-S1094 PolarHBondContact O-N 2.72Å; D1091-S1094 VanDerWaalsContact O-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.4Å; D1091-S1094 PolarHBondContact OD2-N 2.78Å | ||
| 1092 | Q | 85.4 | Confident | 87.6 | Confident | 136 Ų | 136 | 42.3 Ų | 42.3 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -1.8 | 177.3 | -63 | 177.5 | -7.3 | 0 | 0 | 113.7 | I1088 Y1124 | I1088-Q1092 WeakPolarHBondContact O-CG 3.16Å; I1088-Q1092 PolarHBondContact O-N 3.43Å; Q1092-Y1124 WeakPolarHBondContact O-CE2 3.45Å |
| 1093 | R | 83.6 | Confident | 87.3 | Confident | 186 Ų | 186 | 40.9 Ų | 40.9 | 70% | 0.702 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 8.9 | 175.2 | -62.7 | -176.5 | 175.5 | -170.8 | -3.1 | 113 | D1091 S1095 Y1124 | D1091-R1093 PolarHBondContact O-N 2.82Å; D1091-R1093 WeakPolarHBondContact OD1-CA 3.02Å; D1091-R1093 PolarHBondContact OD1-N 3.35Å; R1093-S1095 PolarHBondContact O-N 3.32Å; R1093-Y1124 HydrophobicContact CB-CD1 4.23Å; R1093-Y1124 HydrophobicContact CB-CG 4.27Å; R1093-Y1124 HydrophobicContact CG-CD1 4.05Å; R1093-Y1124 HydrophobicContact CG-CE1 4.09Å; R1093-Y1124 VanDerWaalsContact O-CB 3.27Å; R1093-Y1124 WeakPolarHBondContact O-CB 3.3Å |
| 1094 | S | 81.1 | Confident | 87.1 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | trans | -73.9 | 89.7 | -179.9 | -165.7 | 0 | 0 | 0 | 0 | 111.9 | I1065 D1091 L1096 A1097 Y1098 | I1065-S1094 WeakPolarHBondContact CD1-OG 3.47Å; D1091-S1094 WeakPolarHBondContact O-CB 3.35Å; D1091-S1094 PolarHBondContact O-N 2.72Å; D1091-S1094 VanDerWaalsContact O-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.4Å; D1091-S1094 PolarHBondContact OD2-N 2.78Å; S1094-L1096 PolarHBondContact O-N 3.34Å; S1094-A1097 WeakPolarHBondContact O-CB 3.31Å; S1094-A1097 PolarHBondContact O-N 3Å; S1094-Y1098 WeakPolarHBondContact O-CD2 3.36Å; S1094-Y1098 PolarHBondContact O-N 3.02Å | ||
| 1095 | S | 83.2 | Confident | 87.1 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.4 | -38 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | R1093 Y1099 A1121 | R1093-S1095 PolarHBondContact O-N 3.32Å; S1095-Y1099 WeakPolarHBondContact O-CB 3.49Å; S1095-Y1099 PolarHBondContact O-N 2.88Å; S1095-A1121 WeakPolarHBondContact CB-O 3.29Å |
| 1096 | L | 79.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 175.4 | -170.2 | 68.5 | 0 | 0 | 0 | 112.3 | S180 I1065 S1094 Y1099 H1100 I1131 | S180-L1096 WeakPolarHBondContact OG-CD2 3.32Å; I1065-L1096 HydrophobicContact CD1-CD2 4.34Å; I1065-L1096 HydrophobicContact CG2-CD2 3.78Å; I1065-L1096 HydrophobicContact CG2-CG 3.9Å; S1094-L1096 PolarHBondContact O-N 3.34Å; L1096-Y1099 PolarHBondContact O-N 3.32Å; L1096-H1100 VanDerWaalsContact CD1-NE2 3.33Å; L1096-H1100 WeakPolarHBondContact CD1-NE2 3.29Å; L1096-H1100 PolarHBondContact O-CD2 3.17Å; L1096-H1100 PolarHBondContact O-N 3.01Å; L1096-H1100 VanDerWaalsContact O-N 3.15Å; L1096-I1131 HydrophobicContact CB-CD1 3.93Å; L1096-I1131 HydrophobicContact CD1-CD1 3.8Å; L1096-I1131 HydrophobicContact CD1-CG1 4.22Å; L1096-I1131 HydrophobicContact CG-CD1 4.46Å |
| 1097 | A | 86.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | I1065 A1087 I1088 S1094 R1101 | I1065-A1097 HydrophobicContact CD1-CB 4.12Å; I1065-A1097 HydrophobicContact CG1-CB 4.07Å; A1087-A1097 HydrophobicContact CB-CB 4.03Å; I1088-A1097 HydrophobicContact CD1-CB 4.38Å; I1088-A1097 HydrophobicContact CG1-CB 3.76Å; S1094-A1097 WeakPolarHBondContact O-CB 3.31Å; S1094-A1097 PolarHBondContact O-N 3Å; A1097-R1101 WeakPolarHBondContact O-CB 3.38Å; A1097-R1101 PolarHBondContact O-N 2.87Å; A1097-R1101 VanDerWaalsContact O-N 3.17Å |
| 1098 | Y | 89.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.078 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 173.3 | -77.7 | -74.4 | 0 | 0 | 0 | 111.9 | I1088 S1094 H1100 R1101 G1102 D1117 Y1120 Y1124 | I1088-Y1098 HydrophobicContact CD1-CD1 3.89Å; I1088-Y1098 HydrophobicContact CD1-CE1 4.02Å; I1088-Y1098 HydrophobicContact CD1-CG 4.2Å; I1088-Y1098 HydrophobicContact CG1-CD2 4.45Å; I1088-Y1098 HydrophobicContact CG1-CE1 4.47Å; I1088-Y1098 HydrophobicContact CG1-CE2 4.36Å; I1088-Y1098 HydrophobicContact CG2-CE1 4.15Å; I1088-Y1098 HydrophobicContact CG2-CE2 4.23Å; S1094-Y1098 WeakPolarHBondContact O-CD2 3.36Å; S1094-Y1098 PolarHBondContact O-N 3.02Å; Y1098-H1100 PolarHBondContact O-N 3.17Å; Y1098-R1101 PolarHBondContact O-N 3.35Å; Y1098-R1101 VanDerWaalsContact O-N 3.09Å; Y1098-G1102 PolarHBondContact O-N 3.36Å; Y1098-D1117 WeakPolarHBondContact CD1-OD1 3.2Å; Y1098-Y1120 AromaticContact CD1-CD2 3.8Å; Y1098-Y1120 HydrophobicContact CD1-CD2 3.8Å; Y1098-Y1120 AromaticContact CD1-CG 3.95Å; Y1098-Y1120 HydrophobicContact CD1-CG 3.95Å; Y1098-Y1120 AromaticContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CE2 4.32Å; Y1098-Y1120 AromaticContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CG-CG 4.46Å; Y1098-Y1120 AromaticContact CZ-CG 3.99Å; Y1098-Y1124 HydrophobicContact CD2-CD2 4.08Å; Y1098-Y1124 HydrophobicContact CD2-CE2 4.37Å; Y1098-Y1124 AromaticContact CE2-CD2 3.85Å; Y1098-Y1124 HydrophobicContact CE2-CD2 3.85Å; Y1098-Y1124 AromaticContact CE2-CE2 3.72Å; Y1098-Y1124 HydrophobicContact CE2-CE2 3.72Å |
| 1099 | Y | 86.8 | Confident | 86 | Confident | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | -179.7 | 169.9 | -101 | 0 | 0 | 0 | 113 | E176 S1095 L1096 R1101 G1102 L1103 Y1118 I1131 Y1134 | E176-Y1099 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y1099 PolarHBondContact OE1-OH 3.11Å; E176-Y1099 WeakPolarHBondContact OE2-CE1 3.03Å; S1095-Y1099 WeakPolarHBondContact O-CB 3.49Å; S1095-Y1099 PolarHBondContact O-N 2.88Å; L1096-Y1099 PolarHBondContact O-N 3.32Å; Y1099-R1101 VanDerWaalsContact C-N 3.28Å; Y1099-R1101 PolarHBondContact O-N 3.31Å; Y1099-G1102 PolarHBondContact O-N 2.8Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.19Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.6Å; Y1099-L1103 PolarHBondContact O-N 3.04Å; Y1099-Y1118 HydrophobicContact CD2-CD1 4.06Å; Y1099-Y1118 AromaticContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CE2-CE1 4.09Å; Y1099-I1131 HydrophobicContact CG-CG2 4.17Å; Y1099-Y1134 WeakPolarHBondContact OH-CB 3.23Å |
| 1100 | H | 85.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.7 | -24.7 | 177.1 | -65.3 | -58 | 0 | 0 | 0 | 113.2 | E176 V1069 L1084 L1096 Y1098 C1104 | E176-H1100 IonicContact OE2-CE1 2.69Å; E176-H1100 PolarHBondContact OE2-CE1 2.91Å; E176-H1100 VanDerWaalsContact OE2-CE1 3.28Å; E176-H1100 IonicContact OE2-ND1 3.27Å; V1069-H1100 WeakPolarHBondContact CG2-CD2 3.44Å; V1069-H1100 VanDerWaalsContact CG2-NE2 3.29Å; V1069-H1100 WeakPolarHBondContact CG2-NE2 2.98Å; L1084-H1100 VanDerWaalsContact CD1-C 3.47Å; L1084-H1100 HydrophobicContact CD1-CB 3.59Å; L1084-H1100 HydrophobicContact CD2-CB 4.14Å; L1096-H1100 VanDerWaalsContact CD1-NE2 3.33Å; L1096-H1100 WeakPolarHBondContact CD1-NE2 3.29Å; L1096-H1100 PolarHBondContact O-CD2 3.17Å; L1096-H1100 PolarHBondContact O-N 3.01Å; L1096-H1100 VanDerWaalsContact O-N 3.15Å; Y1098-H1100 PolarHBondContact O-N 3.17Å; H1100-C1104 PolarHBondContact O-N 2.83Å; H1100-C1104 VanDerWaalsContact O-N 3.16Å |
| 1101 | R | 90.5 | Very high | 86 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.4 | -38.7 | 175.3 | -167.6 | 179.3 | 71.6 | 175.5 | 2.4 | 111 | E1081 L1084 N1085 A1097 Y1098 Y1099 L1103 C1104 H1105 D1117 | E1081-R1101 HydrophobicContact CG-CG 4.38Å; L1084-R1101 HydrophobicContact CB-CB 4.31Å; L1084-R1101 HydrophobicContact CD1-CB 4.02Å; N1085-R1101 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1101 PolarHBondContact OD1-NH1 3.37Å; A1097-R1101 WeakPolarHBondContact O-CB 3.38Å; A1097-R1101 PolarHBondContact O-N 2.87Å; A1097-R1101 VanDerWaalsContact O-N 3.17Å; Y1098-R1101 PolarHBondContact O-N 3.35Å; Y1098-R1101 VanDerWaalsContact O-N 3.09Å; Y1099-R1101 VanDerWaalsContact C-N 3.28Å; Y1099-R1101 PolarHBondContact O-N 3.31Å; R1101-L1103 VanDerWaalsContact C-N 3.3Å; R1101-L1103 PolarHBondContact O-N 2.97Å; R1101-C1104 WeakPolarHBondContact O-CA 3.45Å; R1101-C1104 WeakPolarHBondContact O-CB 3.5Å; R1101-C1104 PolarHBondContact O-N 2.88Å; R1101-H1105 PolarHBondContact O-N 3.31Å; R1101-D1117 VanDerWaalsContact C-OD2 3.26Å; R1101-D1117 WeakPolarHBondContact CB-OD2 3.44Å; R1101-D1117 WeakPolarHBondContact CG-OD2 3.46Å; R1101-D1117 IonicContact CZ-OD1 3.28Å; R1101-D1117 IonicContact CZ-OD2 3.81Å; R1101-D1117 IonicContact NE-OD1 2.65Å; R1101-D1117 PolarHBondContact NE-OD1 2.97Å; R1101-D1117 IonicContact NE-OD2 2.78Å; R1101-D1117 PolarHBondContact NE-OD2 2.84Å; R1101-D1117 IonicContact NH2-OD1 2.68Å; R1101-D1117 PolarHBondContact NH2-OD1 3.45Å; R1101-D1117 IonicContact NH2-OD2 2.72Å |
| 1102 | G | 89.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1098 Y1099 H1105 Q1106 D1117 | Y1098-G1102 PolarHBondContact O-N 3.36Å; Y1099-G1102 PolarHBondContact O-N 2.8Å; G1102-H1105 PolarHBondContact O-N 3.14Å; G1102-Q1106 VanDerWaalsContact O-CB 3.28Å; G1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; G1102-Q1106 PolarHBondContact O-N 3.4Å; G1102-D1117 PolarHBondContact N-OD2 2.9Å; G1102-D1117 VanDerWaalsContact N-OD2 3.16Å |
| 1103 | L | 86.5 | Confident | 86.7 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 171.6 | -77.2 | 170.6 | 0 | 0 | 0 | 112.8 | Y1072 Y1099 R1101 I1107 Y1118 | Y1072-L1103 HydrophobicContact CE2-CB 3.75Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.19Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.6Å; Y1099-L1103 PolarHBondContact O-N 3.04Å; R1101-L1103 VanDerWaalsContact C-N 3.3Å; R1101-L1103 PolarHBondContact O-N 2.97Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; L1103-I1107 PolarHBondContact O-N 3.28Å; L1103-Y1118 WeakPolarHBondContact CD2-OH 3.45Å; L1103-Y1118 PolarHBondContact N-OH 2.73Å |
| 1104 | C | 87.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 172.4 | -74.9 | 0 | 0 | 0 | 0 | 111.5 | H1100 R1101 Q1106 I1107 Y1108 | H1100-C1104 PolarHBondContact O-N 2.83Å; H1100-C1104 VanDerWaalsContact O-N 3.16Å; R1101-C1104 WeakPolarHBondContact O-CA 3.45Å; R1101-C1104 WeakPolarHBondContact O-CB 3.5Å; R1101-C1104 PolarHBondContact O-N 2.88Å; C1104-Q1106 VanDerWaalsContact C-N 3.34Å; C1104-Q1106 PolarHBondContact O-N 3Å; C1104-I1107 WeakPolarHBondContact O-CB 3.25Å; C1104-I1107 PolarHBondContact O-N 3.42Å; C1104-I1107 VanDerWaalsContact O-N 3.08Å; C1104-Y1108 HydrophobicContact CB-CE2 4.26Å; C1104-Y1108 WeakPolarHBondContact O-CD2 3.39Å; C1104-Y1108 PolarHBondContact O-N 3.2Å |
| 1105 | H | 90.5 | Very high | 87.6 | Confident | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 179.2 | -69.6 | 174.9 | 0 | 0 | 0 | 112.3 | E1081 R1101 G1102 I1107 Y1108 N1109 K1110 E1113 A1114 D1117 | E1081-H1105 IonicContact OE1-CD2 3.97Å; E1081-H1105 IonicContact OE1-CE1 2.63Å; E1081-H1105 IonicContact OE1-NE2 3.14Å; E1081-H1105 PolarHBondContact OE1-NE2 2.98Å; E1081-H1105 IonicContact OE2-CD2 3.41Å; E1081-H1105 IonicContact OE2-NE2 3.13Å; R1101-H1105 PolarHBondContact O-N 3.31Å; G1102-H1105 PolarHBondContact O-N 3.14Å; H1105-I1107 VanDerWaalsContact C-N 3.27Å; H1105-I1107 PolarHBondContact O-N 3.48Å; H1105-Y1108 CarbonylContact O-C 3.54Å; H1105-Y1108 PolarHBondContact O-N 3.3Å; H1105-Y1108 VanDerWaalsContact O-N 3.07Å; H1105-N1109 PolarHBondContact O-N 3.31Å; H1105-N1109 VanDerWaalsContact O-N 3.11Å; H1105-K1110 HydrophobicContact CB-CB 3.79Å; H1105-K1110 HydrophobicContact CB-CD 4.29Å; H1105-K1110 WeakPolarHBondContact O-CB 3.27Å; H1105-K1110 PolarHBondContact O-N 3.05Å; H1105-E1113 VanDerWaalsContact ND1-CB 3.32Å; H1105-E1113 WeakPolarHBondContact ND1-CB 3.46Å; H1105-A1114 HydrophobicContact CB-CB 3.83Å; H1105-D1117 IonicContact CE1-OD2 3.34Å; H1105-D1117 IonicContact ND1-OD2 2.65Å |
| 1106 | Q | 86.2 | Confident | 88.1 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -34.1 | 173.8 | -167.3 | 177.3 | -13.4 | 0 | 0 | 112.6 | G1102 C1104 N1109 W1111 A1114 Y1118 I1142 | G1102-Q1106 VanDerWaalsContact O-CB 3.28Å; G1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; G1102-Q1106 PolarHBondContact O-N 3.4Å; C1104-Q1106 VanDerWaalsContact C-N 3.34Å; C1104-Q1106 PolarHBondContact O-N 3Å; Q1106-N1109 PolarHBondContact O-N 3.5Å; Q1106-W1111 HydrophobicContact CG-CZ3 3.84Å; Q1106-A1114 HydrophobicContact CB-CB 4.4Å; Q1106-Y1118 PolarHBondContact OE1-OH 3.45Å; Q1106-I1142 HydrophobicContact CG-CD1 4.22Å; Q1106-I1142 HydrophobicContact CG-CG1 4.43Å |
| 1107 | I | 83.4 | Confident | 88.6 | Confident | 66 Ų | 66 | 38.8 Ų | 38.8 | 34% | 0.338 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.3 | -36.4 | 173.4 | -70.6 | 176.2 | 0 | 0 | 0 | 112 | Y1072 Y1077 L1103 C1104 H1105 N1109 | Y1072-I1107 HydrophobicContact CE2-CD1 3.57Å; Y1077-I1107 HydrophobicContact CD1-CD1 4.06Å; Y1077-I1107 HydrophobicContact CD2-CG2 3.94Å; Y1077-I1107 HydrophobicContact CE1-CD1 3.51Å; Y1077-I1107 HydrophobicContact CE2-CD1 4.41Å; Y1077-I1107 HydrophobicContact CE2-CG2 3.77Å; Y1077-I1107 HydrophobicContact CG-CG2 4.41Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; L1103-I1107 PolarHBondContact O-N 3.28Å; C1104-I1107 WeakPolarHBondContact O-CB 3.25Å; C1104-I1107 PolarHBondContact O-N 3.42Å; C1104-I1107 VanDerWaalsContact O-N 3.08Å; H1105-I1107 VanDerWaalsContact C-N 3.27Å; H1105-I1107 PolarHBondContact O-N 3.48Å; I1107-N1109 PolarHBondContact O-N 3.45Å |
| 1108 | Y | 86.7 | Confident | 88.8 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 28% | 0.282 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.3 | -9.4 | 174.7 | -69.7 | -61.3 | 0 | 0 | 0 | 114.2 | Y1077 D1078 E1081 C1104 H1105 K1110 | Y1077-Y1108 WeakPolarHBondContact CB-OH 3.43Å; D1078-Y1108 WeakPolarHBondContact CA-OH 3.36Å; D1078-Y1108 VanDerWaalsContact CG-OH 3.27Å; D1078-Y1108 PolarHBondContact N-OH 3.14Å; D1078-Y1108 PolarHBondContact OD1-OH 3.41Å; E1081-Y1108 WeakPolarHBondContact OE2-CE2 3.2Å; C1104-Y1108 HydrophobicContact CB-CE2 4.26Å; C1104-Y1108 WeakPolarHBondContact O-CD2 3.39Å; C1104-Y1108 PolarHBondContact O-N 3.2Å; H1105-Y1108 CarbonylContact O-C 3.54Å; H1105-Y1108 PolarHBondContact O-N 3.3Å; H1105-Y1108 VanDerWaalsContact O-N 3.07Å; Y1108-K1110 VanDerWaalsContact C-N 3.25Å; Y1108-K1110 HydrophobicContact CD2-CD 4.41Å |
| 1109 | N | 85.2 | Confident | 89 | Confident | 102 Ų | 102 | 42.6 Ų | 42.6 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 25 | -168 | -42.9 | -95.3 | 0 | 0 | 0 | 113.2 | H1105 Q1106 I1107 W1111 | H1105-N1109 PolarHBondContact O-N 3.31Å; H1105-N1109 VanDerWaalsContact O-N 3.11Å; Q1106-N1109 PolarHBondContact O-N 3.5Å; I1107-N1109 PolarHBondContact O-N 3.45Å; N1109-W1111 VanDerWaalsContact CA-CZ2 3.48Å; N1109-W1111 HydrophobicContact CB-CH2 4.4Å; N1109-W1111 HydrophobicContact CB-CZ2 3.47Å; N1109-W1111 VanDerWaalsContact CB-CZ2 3.47Å; N1109-W1111 PolarHBondContact O-N 3.31Å; N1109-W1111 PolarHBondContact O-NE1 3.05Å; N1109-W1111 VanDerWaalsContact OD1-CZ2 3.27Å; N1109-W1111 WeakPolarHBondContact OD1-CZ2 3.45Å |
| 1110 | K | 89.3 | Confident | 89.1 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | trans | -83.4 | 79.6 | 170.2 | -76.4 | 178.9 | 171.8 | 176.7 | 0 | 109 | E1081 H1105 Y1108 E1113 A1114 | E1081-K1110 IonicContact OE1-NZ 3.66Å; E1081-K1110 PolarHBondContact OE1-NZ 2.93Å; E1081-K1110 VanDerWaalsContact OE1-NZ 3.08Å; E1081-K1110 IonicContact OE2-NZ 3.16Å; E1081-K1110 PolarHBondContact OE2-NZ 3.48Å; H1105-K1110 HydrophobicContact CB-CB 3.79Å; H1105-K1110 HydrophobicContact CB-CD 4.29Å; H1105-K1110 WeakPolarHBondContact O-CB 3.27Å; H1105-K1110 PolarHBondContact O-N 3.05Å; Y1108-K1110 VanDerWaalsContact C-N 3.25Å; Y1108-K1110 HydrophobicContact CD2-CD 4.41Å; K1110-E1113 WeakPolarHBondContact CA-OE2 3.44Å; K1110-E1113 HydrophobicContact CB-CB 4.42Å; K1110-E1113 VanDerWaalsContact CB-OE2 3.31Å; K1110-E1113 WeakPolarHBondContact CB-OE2 3.42Å; K1110-E1113 WeakPolarHBondContact CD-OE1 3.23Å; K1110-E1113 VanDerWaalsContact CG-OE1 3.23Å; K1110-E1113 WeakPolarHBondContact CG-OE1 3.32Å; K1110-A1114 VanDerWaalsContact O-CB 3.25Å; K1110-A1114 WeakPolarHBondContact O-CB 3.45Å; K1110-A1114 PolarHBondContact O-N 2.94Å | ||
| 1111 | W | 88.1 | Confident | 89.2 | Confident | 46 Ų | 46 | 45.8 Ų | 45.8 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.6 | -39 | -167.6 | -52 | 107.2 | 0 | 0 | 0 | 113.3 | Q1106 N1109 I1115 I1142 K1146 Y1147 | Q1106-W1111 HydrophobicContact CG-CZ3 3.84Å; N1109-W1111 VanDerWaalsContact CA-CZ2 3.48Å; N1109-W1111 HydrophobicContact CB-CH2 4.4Å; N1109-W1111 HydrophobicContact CB-CZ2 3.47Å; N1109-W1111 VanDerWaalsContact CB-CZ2 3.47Å; N1109-W1111 PolarHBondContact O-N 3.31Å; N1109-W1111 PolarHBondContact O-NE1 3.05Å; N1109-W1111 VanDerWaalsContact OD1-CZ2 3.27Å; N1109-W1111 WeakPolarHBondContact OD1-CZ2 3.45Å; W1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; W1111-I1115 VanDerWaalsContact O-CG1 3.3Å; W1111-I1115 WeakPolarHBondContact O-CG1 3.3Å; W1111-I1115 PolarHBondContact O-N 2.65Å; W1111-I1115 VanDerWaalsContact O-N 3.09Å; W1111-I1142 HydrophobicContact CB-CG2 4.08Å; W1111-I1142 HydrophobicContact CE3-CD1 4.31Å; W1111-I1142 HydrophobicContact CE3-CG1 4.03Å; W1111-I1142 HydrophobicContact CE3-CG2 4.08Å; W1111-I1142 HydrophobicContact CZ3-CG1 4.4Å; W1111-K1146 HydrophobicContact CD2-CD 3.94Å; W1111-K1146 HydrophobicContact CD2-CG 3.68Å; W1111-K1146 VanDerWaalsContact CE2-CE 3.47Å; W1111-K1146 HydrophobicContact CE3-CD 4.41Å; W1111-K1146 HydrophobicContact CE3-CG 3.93Å; W1111-K1146 HydrophobicContact CG-CD 4.4Å; W1111-K1146 HydrophobicContact CG-CG 4.02Å; W1111-K1146 HydrophobicContact CH2-CD 4.4Å; W1111-K1146 VanDerWaalsContact CH2-CE 3.41Å; W1111-K1146 HydrophobicContact CZ2-CD 3.9Å; W1111-K1146 HydrophobicContact CZ2-CG 4.45Å; W1111-K1146 HydrophobicContact CZ3-CG 4.41Å; W1111-Y1147 HydrophobicContact CB-CE2 4.18Å; W1111-Y1147 WeakPolarHBondContact CB-OH 3.21Å |
| 1112 | D | 91.3 | Very high | 89 | Confident | 99 Ų | 99 | 44.8 Ų | 44.8 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.3 | -44.4 | -179.3 | -58.9 | -70.1 | 0 | 0 | 0 | 110.4 | A1114 I1115 E1116 Y1147 | D1112-A1114 PolarHBondContact O-N 3.15Å; D1112-I1115 WeakPolarHBondContact O-CB 3.43Å; D1112-I1115 PolarHBondContact O-N 3.28Å; D1112-I1115 VanDerWaalsContact O-N 3.13Å; D1112-E1116 PolarHBondContact O-N 3.21Å; D1112-E1116 VanDerWaalsContact O-N 3.1Å; D1112-Y1147 PolarHBondContact OD1-OH 3.3Å; D1112-Y1147 PolarHBondContact OD2-OH 3.23Å |
| 1113 | E | 91.9 | Very high | 88.9 | Confident | 75 Ų | 75 | 50.1 Ų | 50.1 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 176.3 | -50.8 | 101.3 | 116.8 | 0 | 0 | 112.1 | H1105 K1110 I1115 E1116 D1117 | H1105-E1113 VanDerWaalsContact ND1-CB 3.32Å; H1105-E1113 WeakPolarHBondContact ND1-CB 3.46Å; K1110-E1113 WeakPolarHBondContact CA-OE2 3.44Å; K1110-E1113 HydrophobicContact CB-CB 4.42Å; K1110-E1113 VanDerWaalsContact CB-OE2 3.31Å; K1110-E1113 WeakPolarHBondContact CB-OE2 3.42Å; K1110-E1113 WeakPolarHBondContact CD-OE1 3.23Å; K1110-E1113 VanDerWaalsContact CG-OE1 3.23Å; K1110-E1113 WeakPolarHBondContact CG-OE1 3.32Å; E1113-I1115 VanDerWaalsContact C-N 3.31Å; E1113-I1115 PolarHBondContact O-N 2.92Å; E1113-E1116 PolarHBondContact O-N 3.36Å; E1113-D1117 PolarHBondContact O-N 3.34Å |
| 1114 | A | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -33.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1105 Q1106 K1110 D1112 Y1118 I1142 | H1105-A1114 HydrophobicContact CB-CB 3.83Å; Q1106-A1114 HydrophobicContact CB-CB 4.4Å; K1110-A1114 VanDerWaalsContact O-CB 3.25Å; K1110-A1114 WeakPolarHBondContact O-CB 3.45Å; K1110-A1114 PolarHBondContact O-N 2.94Å; D1112-A1114 PolarHBondContact O-N 3.15Å; A1114-Y1118 HydrophobicContact CB-CE2 4.43Å; A1114-Y1118 WeakPolarHBondContact O-CB 3.43Å; A1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; A1114-Y1118 PolarHBondContact O-N 3.29Å; A1114-I1142 HydrophobicContact CB-CD1 3.73Å |
| 1115 | I | 91.7 | Very high | 87.7 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 174.8 | -75.5 | 161.5 | 0 | 0 | 0 | 111 | W1111 D1112 E1113 H1119 R1139 I1142 Y1143 Y1147 | W1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; W1111-I1115 VanDerWaalsContact O-CG1 3.3Å; W1111-I1115 WeakPolarHBondContact O-CG1 3.3Å; W1111-I1115 PolarHBondContact O-N 2.65Å; W1111-I1115 VanDerWaalsContact O-N 3.09Å; D1112-I1115 WeakPolarHBondContact O-CB 3.43Å; D1112-I1115 PolarHBondContact O-N 3.28Å; D1112-I1115 VanDerWaalsContact O-N 3.13Å; E1113-I1115 VanDerWaalsContact C-N 3.31Å; E1113-I1115 PolarHBondContact O-N 2.92Å; I1115-H1119 WeakPolarHBondContact O-CB 3.35Å; I1115-H1119 PolarHBondContact O-N 3.45Å; I1115-R1139 HydrophobicContact CG1-CG 4.27Å; I1115-I1142 HydrophobicContact CD1-CG2 3.75Å; I1115-I1142 HydrophobicContact CG1-CG2 3.97Å; I1115-Y1143 HydrophobicContact CD1-CD1 4.19Å; I1115-Y1143 HydrophobicContact CD1-CE1 3.7Å; I1115-Y1143 HydrophobicContact CG1-CE1 4.19Å; I1115-Y1143 HydrophobicContact CG2-CE1 4.4Å; I1115-Y1147 HydrophobicContact CD1-CD2 4.36Å; I1115-Y1147 HydrophobicContact CD1-CE2 3.58Å |
| 1116 | E | 92.8 | Very high | 86.3 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 55% | 0.547 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.2 | -68.1 | -169.9 | 177.6 | 0 | 0 | 111.6 | D1112 E1113 Y1118 H1119 Y1120 | D1112-E1116 PolarHBondContact O-N 3.21Å; D1112-E1116 VanDerWaalsContact O-N 3.1Å; E1113-E1116 PolarHBondContact O-N 3.36Å; E1116-Y1118 PolarHBondContact O-N 3.12Å; E1116-H1119 WeakPolarHBondContact O-CA 3.47Å; E1116-H1119 VanDerWaalsContact O-CB 3.26Å; E1116-H1119 WeakPolarHBondContact O-CB 3.48Å; E1116-H1119 PolarHBondContact O-N 3.27Å; E1116-Y1120 HydrophobicContact CB-CE2 4.26Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.44Å; E1116-Y1120 PolarHBondContact O-N 2.92Å |
| 1117 | D | 91.5 | Very high | 84.5 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.4 | -88.1 | -4.1 | 0 | 0 | 0 | 112.8 | Y1098 R1101 G1102 H1105 E1113 H1119 Y1120 A1121 | Y1098-D1117 WeakPolarHBondContact CD1-OD1 3.2Å; R1101-D1117 VanDerWaalsContact C-OD2 3.26Å; R1101-D1117 WeakPolarHBondContact CB-OD2 3.44Å; R1101-D1117 WeakPolarHBondContact CG-OD2 3.46Å; R1101-D1117 IonicContact CZ-OD1 3.28Å; R1101-D1117 IonicContact CZ-OD2 3.81Å; R1101-D1117 IonicContact NE-OD1 2.65Å; R1101-D1117 PolarHBondContact NE-OD1 2.97Å; R1101-D1117 IonicContact NE-OD2 2.78Å; R1101-D1117 PolarHBondContact NE-OD2 2.84Å; R1101-D1117 IonicContact NH2-OD1 2.68Å; R1101-D1117 PolarHBondContact NH2-OD1 3.45Å; R1101-D1117 IonicContact NH2-OD2 2.72Å; G1102-D1117 PolarHBondContact N-OD2 2.9Å; G1102-D1117 VanDerWaalsContact N-OD2 3.16Å; H1105-D1117 IonicContact CE1-OD2 3.34Å; H1105-D1117 IonicContact ND1-OD2 2.65Å; E1113-D1117 PolarHBondContact O-N 3.34Å; D1117-H1119 VanDerWaalsContact C-N 3.28Å; D1117-H1119 PolarHBondContact O-N 3.28Å; D1117-Y1120 PolarHBondContact O-N 3.24Å; D1117-A1121 WeakPolarHBondContact O-CB 3.5Å; D1117-A1121 PolarHBondContact O-N 3.36Å |
| 1118 | Y | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.7 | -27.2 | 171.7 | -65.4 | -41.4 | 0 | 0 | 0 | 112.7 | Y1099 L1103 Q1106 A1114 E1116 I1122 N1138 R1139 I1142 | Y1099-Y1118 HydrophobicContact CD2-CD1 4.06Å; Y1099-Y1118 AromaticContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CE2-CE1 4.09Å; L1103-Y1118 WeakPolarHBondContact CD2-OH 3.45Å; L1103-Y1118 PolarHBondContact N-OH 2.73Å; Q1106-Y1118 PolarHBondContact OE1-OH 3.45Å; A1114-Y1118 HydrophobicContact CB-CE2 4.43Å; A1114-Y1118 WeakPolarHBondContact O-CB 3.43Å; A1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; A1114-Y1118 PolarHBondContact O-N 3.29Å; E1116-Y1118 PolarHBondContact O-N 3.12Å; Y1118-I1122 WeakPolarHBondContact O-CD1 3.35Å; Y1118-I1122 VanDerWaalsContact O-CG1 3.23Å; Y1118-I1122 WeakPolarHBondContact O-CG1 3.48Å; Y1118-I1122 PolarHBondContact O-N 3.11Å; Y1118-I1122 VanDerWaalsContact O-N 3.11Å; Y1118-N1138 HydrophobicContact CD2-CB 4.08Å; Y1118-N1138 HydrophobicContact CE1-CB 4Å; Y1118-N1138 HydrophobicContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CZ-CB 3.41Å; Y1118-N1138 PolarHBondContact OH-ND2 3.08Å; Y1118-R1139 HydrophobicContact CD2-CB 4.19Å; Y1118-R1139 HydrophobicContact CG-CB 4.48Å; Y1118-I1142 HydrophobicContact CD2-CD1 4.22Å; Y1118-I1142 HydrophobicContact CE2-CD1 3.89Å |
| 1119 | H | 92.1 | Very high | 81.5 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 171.2 | -172.7 | 97.6 | 0 | 0 | 0 | 111.8 | I1115 E1116 D1117 I1122 Q1123 | I1115-H1119 WeakPolarHBondContact O-CB 3.35Å; I1115-H1119 PolarHBondContact O-N 3.45Å; E1116-H1119 WeakPolarHBondContact O-CA 3.47Å; E1116-H1119 VanDerWaalsContact O-CB 3.26Å; E1116-H1119 WeakPolarHBondContact O-CB 3.48Å; E1116-H1119 PolarHBondContact O-N 3.27Å; D1117-H1119 VanDerWaalsContact C-N 3.28Å; D1117-H1119 PolarHBondContact O-N 3.28Å; H1119-I1122 PolarHBondContact O-N 2.95Å; H1119-Q1123 WeakPolarHBondContact O-CB 3.45Å; H1119-Q1123 PolarHBondContact O-N 3Å |
| 1120 | Y | 90.1 | Very high | 80.6 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 30% | 0.302 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.1 | -64.9 | -61.3 | 0 | 0 | 0 | 112.4 | Y1098 E1116 D1117 I1122 Q1123 Y1124 | Y1098-Y1120 AromaticContact CD1-CD2 3.8Å; Y1098-Y1120 HydrophobicContact CD1-CD2 3.8Å; Y1098-Y1120 AromaticContact CD1-CG 3.95Å; Y1098-Y1120 HydrophobicContact CD1-CG 3.95Å; Y1098-Y1120 AromaticContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CE2 4.32Å; Y1098-Y1120 AromaticContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CG-CG 4.46Å; Y1098-Y1120 AromaticContact CZ-CG 3.99Å; E1116-Y1120 HydrophobicContact CB-CE2 4.26Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.44Å; E1116-Y1120 PolarHBondContact O-N 2.92Å; D1117-Y1120 PolarHBondContact O-N 3.24Å; Y1120-I1122 VanDerWaalsContact C-N 3.32Å; Y1120-I1122 PolarHBondContact O-N 3.49Å; Y1120-Q1123 PolarHBondContact O-N 3.45Å; Y1120-Y1124 AromaticContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.42Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.21Å; Y1120-Y1124 PolarHBondContact O-N 3.24Å |
| 1121 | A | 86 | Confident | 79.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1095 D1117 G1125 I1131 | S1095-A1121 WeakPolarHBondContact CB-O 3.29Å; D1117-A1121 WeakPolarHBondContact O-CB 3.5Å; D1117-A1121 PolarHBondContact O-N 3.36Å; A1121-G1125 PolarHBondContact O-N 3.16Å; A1121-G1125 VanDerWaalsContact O-N 3.09Å; A1121-I1131 HydrophobicContact CB-CG2 4.41Å |
| 1122 | I | 87.1 | Confident | 79.2 | Confident | 24 Ų | 24 | 54 Ų | 54 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 173.3 | -68.7 | 162.2 | 0 | 0 | 0 | 110.5 | Y1118 H1119 Y1120 Y1124 G1125 Q1132 S1135 F1136 | Y1118-I1122 WeakPolarHBondContact O-CD1 3.35Å; Y1118-I1122 VanDerWaalsContact O-CG1 3.23Å; Y1118-I1122 WeakPolarHBondContact O-CG1 3.48Å; Y1118-I1122 PolarHBondContact O-N 3.11Å; Y1118-I1122 VanDerWaalsContact O-N 3.11Å; H1119-I1122 PolarHBondContact O-N 2.95Å; Y1120-I1122 VanDerWaalsContact C-N 3.32Å; Y1120-I1122 PolarHBondContact O-N 3.49Å; I1122-Y1124 VanDerWaalsContact C-N 3.32Å; I1122-Y1124 PolarHBondContact O-N 2.89Å; I1122-G1125 PolarHBondContact O-N 2.68Å; I1122-Q1132 PolarHBondContact O-NE2 3.09Å; I1122-S1135 WeakPolarHBondContact CG1-OG 3.1Å; I1122-F1136 HydrophobicContact CD1-CD1 3.56Å; I1122-F1136 HydrophobicContact CD1-CD2 4.26Å; I1122-F1136 HydrophobicContact CD1-CE1 3.72Å; I1122-F1136 HydrophobicContact CD1-CE2 4.38Å; I1122-F1136 HydrophobicContact CD1-CG 3.84Å; I1122-F1136 HydrophobicContact CD1-CZ 4.13Å; I1122-F1136 HydrophobicContact CG1-CD1 4.4Å; I1122-F1136 HydrophobicContact CG1-CD2 4.26Å; I1122-F1136 HydrophobicContact CG1-CE1 4.42Å; I1122-F1136 HydrophobicContact CG1-CE2 4.25Å; I1122-F1136 HydrophobicContact CG1-CG 4.31Å; I1122-F1136 HydrophobicContact CG1-CZ 4.34Å; I1122-F1136 HydrophobicContact CG2-CE1 4.16Å; I1122-F1136 HydrophobicContact CG2-CE2 3.86Å; I1122-F1136 HydrophobicContact CG2-CZ 3.56Å |
| 1123 | Q | 86.6 | Confident | 78.6 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -37.1 | -175.4 | -175.1 | -179.1 | 7.2 | 0 | 0 | 113.2 | H1119 Y1120 | H1119-Q1123 WeakPolarHBondContact O-CB 3.45Å; H1119-Q1123 PolarHBondContact O-N 3Å; Y1120-Q1123 PolarHBondContact O-N 3.45Å |
| 1124 | Y | 82.4 | Confident | 77.9 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -101.6 | -2.2 | -179 | -54.5 | -51.9 | 0 | 0 | 0 | 114.3 | Q1092 R1093 Y1098 Y1120 I1122 | Q1092-Y1124 WeakPolarHBondContact O-CE2 3.45Å; R1093-Y1124 HydrophobicContact CB-CD1 4.23Å; R1093-Y1124 HydrophobicContact CB-CG 4.27Å; R1093-Y1124 HydrophobicContact CG-CD1 4.05Å; R1093-Y1124 HydrophobicContact CG-CE1 4.09Å; R1093-Y1124 VanDerWaalsContact O-CB 3.27Å; R1093-Y1124 WeakPolarHBondContact O-CB 3.3Å; Y1098-Y1124 HydrophobicContact CD2-CD2 4.08Å; Y1098-Y1124 HydrophobicContact CD2-CE2 4.37Å; Y1098-Y1124 AromaticContact CE2-CD2 3.85Å; Y1098-Y1124 HydrophobicContact CE2-CD2 3.85Å; Y1098-Y1124 AromaticContact CE2-CE2 3.72Å; Y1098-Y1124 HydrophobicContact CE2-CE2 3.72Å; Y1120-Y1124 AromaticContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.42Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.21Å; Y1120-Y1124 PolarHBondContact O-N 3.24Å; I1122-Y1124 VanDerWaalsContact C-N 3.32Å; I1122-Y1124 PolarHBondContact O-N 2.89Å |
| 1125 | G | 67.2 | Low | 77.6 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -66.2 | 144.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1121 I1122 Q1132 | A1121-G1125 PolarHBondContact O-N 3.16Å; A1121-G1125 VanDerWaalsContact O-N 3.09Å; I1122-G1125 PolarHBondContact O-N 2.68Å; G1125-Q1132 PolarHBondContact O-NE2 3Å; G1125-Q1132 VanDerWaalsContact O-NE2 3.09Å |
| 1126 | T | 62 | Low | 77.4 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | trans | -71.2 | 155.5 | 173.6 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | Y1128 G1129 Q1132 | T1126-Y1128 PolarHBondContact O-N 2.7Å; T1126-G1129 PolarHBondContact O-N 3.27Å; T1126-Q1132 PolarHBondContact O-OE1 3.28Å | ||
| 1127 | L | 47.5 | Very low | 77 | Confident | 139 Ų | 139 | 42.8 Ų | 42.8 | 73% | 0.728 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9.9 | -177.2 | -80 | 163.9 | 0 | 0 | 0 | 115.5 | ||
| 1128 | Y | 48.6 | Very low | 76.6 | Confident | 159 Ų | 159 | 43 Ų | 43 | 62% | 0.624 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117 | 14.2 | 177.1 | -57 | -80.5 | 0 | 0 | 0 | 111.8 | Q183 T1126 S1130 F1167 | Q183-Y1128 PolarHBondContact OE1-O 3.3Å; T1126-Y1128 PolarHBondContact O-N 2.7Å; Y1128-S1130 PolarHBondContact O-N 2.68Å; Y1128-F1167 VanDerWaalsContact O-CZ 3.31Å; Y1128-F1167 WeakPolarHBondContact O-CZ 3.29Å |
| 1129 | G | 58.6 | Low | 76.5 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -81.1 | 119.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114 | T1126 I1131 Q1132 L1133 | T1126-G1129 PolarHBondContact O-N 3.27Å; G1129-I1131 PolarHBondContact O-N 2.65Å; G1129-Q1132 WeakPolarHBondContact O-CB 3.26Å; G1129-Q1132 PolarHBondContact O-N 3.33Å; G1129-L1133 PolarHBondContact O-N 3.48Å | ||
| 1130 | S | 65.3 | Low | 76.3 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.2 | -34.1 | 162.5 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | Y1128 Q1132 L1133 Y1134 | Y1128-S1130 PolarHBondContact O-N 2.68Å; S1130-Q1132 VanDerWaalsContact C-N 3.32Å; S1130-Q1132 PolarHBondContact O-N 2.75Å; S1130-L1133 WeakPolarHBondContact O-CB 3.39Å; S1130-L1133 PolarHBondContact O-N 2.73Å; S1130-L1133 VanDerWaalsContact O-N 3.15Å; S1130-Y1134 WeakPolarHBondContact O-CD2 3.09Å; S1130-Y1134 PolarHBondContact O-N 3.23Å |
| 1131 | I | 71.3 | Confident | 76 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -40.6 | 174.5 | -56.1 | 167.9 | 0 | 0 | 0 | 111.8 | L1096 Y1099 A1121 G1129 S1135 | L1096-I1131 HydrophobicContact CB-CD1 3.93Å; L1096-I1131 HydrophobicContact CD1-CD1 3.8Å; L1096-I1131 HydrophobicContact CD1-CG1 4.22Å; L1096-I1131 HydrophobicContact CG-CD1 4.46Å; Y1099-I1131 HydrophobicContact CG-CG2 4.17Å; A1121-I1131 HydrophobicContact CB-CG2 4.41Å; G1129-I1131 PolarHBondContact O-N 2.65Å; I1131-S1135 WeakPolarHBondContact O-CB 3.48Å; I1131-S1135 PolarHBondContact O-N 3.12Å; I1131-S1135 PolarHBondContact O-OG 3.14Å |
| 1132 | Q | 77.9 | Confident | 76 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 176.3 | -67.7 | -166.3 | -36.3 | 0 | 0 | 110.9 | I1122 G1125 T1126 G1129 S1130 Y1134 S1135 F1136 I1163 | I1122-Q1132 PolarHBondContact O-NE2 3.09Å; G1125-Q1132 PolarHBondContact O-NE2 3Å; G1125-Q1132 VanDerWaalsContact O-NE2 3.09Å; T1126-Q1132 PolarHBondContact O-OE1 3.28Å; G1129-Q1132 WeakPolarHBondContact O-CB 3.26Å; G1129-Q1132 PolarHBondContact O-N 3.33Å; S1130-Q1132 VanDerWaalsContact C-N 3.32Å; S1130-Q1132 PolarHBondContact O-N 2.75Å; Q1132-Y1134 PolarHBondContact O-N 3.07Å; Q1132-S1135 WeakPolarHBondContact CA-OG 3.43Å; Q1132-S1135 PolarHBondContact O-N 2.88Å; Q1132-S1135 PolarHBondContact O-OG 3.03Å; Q1132-S1135 VanDerWaalsContact O-OG 3.11Å; Q1132-F1136 WeakPolarHBondContact O-CD2 3.35Å; Q1132-F1136 PolarHBondContact O-N 2.89Å; Q1132-I1163 HydrophobicContact CB-CD1 4Å |
| 1133 | L | 77.6 | Confident | 76 | Confident | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 177.8 | 177.7 | 59.4 | 0 | 0 | 0 | 111.4 | G1129 S1130 I1137 A1160 I1163 M1164 L1186 | G1129-L1133 PolarHBondContact O-N 3.48Å; S1130-L1133 WeakPolarHBondContact O-CB 3.39Å; S1130-L1133 PolarHBondContact O-N 2.73Å; S1130-L1133 VanDerWaalsContact O-N 3.15Å; L1133-I1137 HydrophobicContact CD1-CD1 3.82Å; L1133-I1137 HydrophobicContact CG-CD1 4.02Å; L1133-I1137 WeakPolarHBondContact O-CB 3.35Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.18Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; L1133-I1137 PolarHBondContact O-N 3.43Å; L1133-I1137 VanDerWaalsContact O-N 3.17Å; L1133-A1160 HydrophobicContact CD1-CB 3.67Å; L1133-A1160 WeakPolarHBondContact CD1-O 3.34Å; L1133-I1163 HydrophobicContact CB-CG2 4.16Å; L1133-M1164 HydrophobicContact CD1-CE 4.43Å; L1133-M1164 HydrophobicContact CD1-CG 3.81Å; L1133-M1164 HydrophobicContact CD1-SD 4.26Å; L1133-M1164 HydrophobicContact CD2-CG 3.78Å; L1133-M1164 HydrophobicContact CD2-SD 4.35Å; L1133-M1164 HydrophobicContact CG-CG 4.48Å; L1133-L1186 HydrophobicContact CD2-CD2 3.99Å; L1133-L1186 HydrophobicContact CG-CD2 4.47Å |
| 1134 | Y | 76.9 | Confident | 75.8 | Confident | 43 Ų | 43 | 31.9 Ų | 31.9 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.4 | -33.9 | -177.4 | -55.3 | -30.6 | 0 | 0 | 0 | 113.5 | L171 E176 Y1099 S1130 Q1132 I1137 N1138 L1186 | L171-Y1134 HydrophobicContact CD1-CD1 3.84Å; L171-Y1134 HydrophobicContact CD1-CD2 4.26Å; L171-Y1134 HydrophobicContact CD1-CE1 3.37Å; L171-Y1134 HydrophobicContact CD1-CE2 3.83Å; L171-Y1134 HydrophobicContact CD1-CG 4.28Å; E176-Y1134 WeakPolarHBondContact OE1-CD2 3.01Å; Y1099-Y1134 WeakPolarHBondContact OH-CB 3.23Å; S1130-Y1134 WeakPolarHBondContact O-CD2 3.09Å; S1130-Y1134 PolarHBondContact O-N 3.23Å; Q1132-Y1134 PolarHBondContact O-N 3.07Å; Y1134-I1137 PolarHBondContact O-N 3.47Å; Y1134-N1138 WeakPolarHBondContact O-CB 2.92Å; Y1134-N1138 VanDerWaalsContact O-CG 3.23Å; Y1134-N1138 PolarHBondContact O-N 3.13Å; Y1134-L1186 HydrophobicContact CE1-CD2 4.42Å |
| 1135 | S | 85.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 174.7 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | I1122 I1131 Q1132 I1137 R1139 | I1122-S1135 WeakPolarHBondContact CG1-OG 3.1Å; I1131-S1135 WeakPolarHBondContact O-CB 3.48Å; I1131-S1135 PolarHBondContact O-N 3.12Å; I1131-S1135 PolarHBondContact O-OG 3.14Å; Q1132-S1135 WeakPolarHBondContact CA-OG 3.43Å; Q1132-S1135 PolarHBondContact O-N 2.88Å; Q1132-S1135 PolarHBondContact O-OG 3.03Å; Q1132-S1135 VanDerWaalsContact O-OG 3.11Å; S1135-I1137 VanDerWaalsContact C-N 3.34Å; S1135-I1137 PolarHBondContact O-N 3.22Å; S1135-R1139 VanDerWaalsContact O-CB 3.26Å; S1135-R1139 WeakPolarHBondContact O-CB 3.48Å; S1135-R1139 PolarHBondContact O-N 3.1Å |
| 1136 | F | 87.5 | Confident | 76.2 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 169.1 | -83.5 | -62.3 | 0 | 0 | 0 | 111.6 | I1122 Q1132 S1140 D1156 Q1159 A1160 I1163 | I1122-F1136 HydrophobicContact CD1-CD1 3.56Å; I1122-F1136 HydrophobicContact CD1-CD2 4.26Å; I1122-F1136 HydrophobicContact CD1-CE1 3.72Å; I1122-F1136 HydrophobicContact CD1-CE2 4.38Å; I1122-F1136 HydrophobicContact CD1-CG 3.84Å; I1122-F1136 HydrophobicContact CD1-CZ 4.13Å; I1122-F1136 HydrophobicContact CG1-CD1 4.4Å; I1122-F1136 HydrophobicContact CG1-CD2 4.26Å; I1122-F1136 HydrophobicContact CG1-CE1 4.42Å; I1122-F1136 HydrophobicContact CG1-CE2 4.25Å; I1122-F1136 HydrophobicContact CG1-CG 4.31Å; I1122-F1136 HydrophobicContact CG1-CZ 4.34Å; I1122-F1136 HydrophobicContact CG2-CE1 4.16Å; I1122-F1136 HydrophobicContact CG2-CE2 3.86Å; I1122-F1136 HydrophobicContact CG2-CZ 3.56Å; Q1132-F1136 WeakPolarHBondContact O-CD2 3.35Å; Q1132-F1136 PolarHBondContact O-N 2.89Å; F1136-S1140 WeakPolarHBondContact O-CB 3.42Å; F1136-S1140 PolarHBondContact O-N 2.98Å; F1136-D1156 HydrophobicContact CB-CB 4.49Å; F1136-D1156 HydrophobicContact CD1-CB 3.94Å; F1136-Q1159 HydrophobicContact CD1-CB 3.95Å; F1136-Q1159 HydrophobicContact CD2-CB 4.03Å; F1136-Q1159 HydrophobicContact CE1-CB 3.64Å; F1136-Q1159 HydrophobicContact CE1-CG 3.85Å; F1136-Q1159 HydrophobicContact CE2-CB 3.75Å; F1136-Q1159 HydrophobicContact CG-CB 4.16Å; F1136-Q1159 HydrophobicContact CZ-CB 3.54Å; F1136-Q1159 HydrophobicContact CZ-CG 3.88Å; F1136-A1160 HydrophobicContact CB-CB 4.01Å; F1136-I1163 HydrophobicContact CD2-CD1 3.93Å; F1136-I1163 HydrophobicContact CE2-CD1 3.96Å |
| 1137 | I | 84.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -52.2 | 179.7 | -75.1 | 166.8 | 0 | 0 | 0 | 111 | I169 L1133 Y1134 S1135 R1139 S1140 I1141 A1160 L1186 L1190 | I169-I1137 HydrophobicContact CB-CG2 4.12Å; I169-I1137 HydrophobicContact CD1-CD1 3.83Å; I169-I1137 HydrophobicContact CD1-CG2 3.76Å; I169-I1137 HydrophobicContact CG1-CG2 4.43Å; I169-I1137 HydrophobicContact CG2-CG2 4.26Å; L1133-I1137 HydrophobicContact CD1-CD1 3.82Å; L1133-I1137 HydrophobicContact CG-CD1 4.02Å; L1133-I1137 WeakPolarHBondContact O-CB 3.35Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.18Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; L1133-I1137 PolarHBondContact O-N 3.43Å; L1133-I1137 VanDerWaalsContact O-N 3.17Å; Y1134-I1137 PolarHBondContact O-N 3.47Å; S1135-I1137 VanDerWaalsContact C-N 3.34Å; S1135-I1137 PolarHBondContact O-N 3.22Å; I1137-R1139 PolarHBondContact O-N 3.03Å; I1137-S1140 PolarHBondContact O-N 3Å; I1137-S1140 PolarHBondContact O-OG 2.91Å; I1137-I1141 HydrophobicContact CG2-CD1 4.05Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; I1137-I1141 PolarHBondContact O-N 3.08Å; I1137-A1160 HydrophobicContact CD1-CB 4.42Å; I1137-A1160 HydrophobicContact CG1-CB 4.01Å; I1137-L1186 HydrophobicContact CD1-CD2 4.17Å; I1137-L1190 HydrophobicContact CD1-CD1 4.16Å; I1137-L1190 HydrophobicContact CG1-CD1 4.04Å |
| 1138 | N | 84.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | -177.7 | -66.1 | -10.9 | 0 | 0 | 0 | 111.9 | Y1118 Y1134 I1141 I1142 | Y1118-N1138 HydrophobicContact CD2-CB 4.08Å; Y1118-N1138 HydrophobicContact CE1-CB 4Å; Y1118-N1138 HydrophobicContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CZ-CB 3.41Å; Y1118-N1138 PolarHBondContact OH-ND2 3.08Å; Y1134-N1138 WeakPolarHBondContact O-CB 2.92Å; Y1134-N1138 VanDerWaalsContact O-CG 3.23Å; Y1134-N1138 PolarHBondContact O-N 3.13Å; N1138-I1141 PolarHBondContact O-N 3.16Å; N1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; N1138-I1142 PolarHBondContact O-N 2.99Å; N1138-I1142 VanDerWaalsContact O-N 3.14Å |
| 1139 | R | 89.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 30.8 Ų | 30.8 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 174.1 | -165 | 173.1 | 68.6 | -166.8 | 0.9 | 112.1 | I1115 Y1118 S1135 I1137 I1141 I1142 Y1143 D1156 | I1115-R1139 HydrophobicContact CG1-CG 4.27Å; Y1118-R1139 HydrophobicContact CD2-CB 4.19Å; Y1118-R1139 HydrophobicContact CG-CB 4.48Å; S1135-R1139 VanDerWaalsContact O-CB 3.26Å; S1135-R1139 WeakPolarHBondContact O-CB 3.48Å; S1135-R1139 PolarHBondContact O-N 3.1Å; I1137-R1139 PolarHBondContact O-N 3.03Å; R1139-I1141 VanDerWaalsContact C-N 3.31Å; R1139-I1141 PolarHBondContact O-N 2.97Å; R1139-I1142 PolarHBondContact O-N 3.13Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 3.64Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.27Å; R1139-Y1143 PolarHBondContact O-N 3.29Å; R1139-D1156 IonicContact CZ-OD1 3.6Å; R1139-D1156 IonicContact CZ-OD2 3.13Å; R1139-D1156 IonicContact NE-OD1 2.75Å; R1139-D1156 IonicContact NE-OD2 2.65Å; R1139-D1156 PolarHBondContact NE-OD2 2.93Å; R1139-D1156 IonicContact NH2-OD1 3.19Å; R1139-D1156 PolarHBondContact NH2-OD1 3.26Å; R1139-D1156 IonicContact NH2-OD2 3.59Å; R1139-D1156 PolarHBondContact NH2-OD2 3.39Å |
| 1140 | S | 86.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 174 | 81.8 | 0 | 0 | 0 | 0 | 112.7 | F1136 I1137 Y1143 M1144 L1157 | F1136-S1140 WeakPolarHBondContact O-CB 3.42Å; F1136-S1140 PolarHBondContact O-N 2.98Å; I1137-S1140 PolarHBondContact O-N 3Å; I1137-S1140 PolarHBondContact O-OG 2.91Å; S1140-Y1143 PolarHBondContact O-N 3.01Å; S1140-M1144 WeakPolarHBondContact O-CG 3.48Å; S1140-M1144 PolarHBondContact O-N 2.76Å; S1140-L1157 WeakPolarHBondContact OG-CD2 3.28Å |
| 1141 | I | 83.8 | Confident | 82.8 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.108 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.8 | -68.2 | 165.4 | 0 | 0 | 0 | 110.6 | L168 I1137 N1138 R1139 M1144 E1145 | L168-I1141 HydrophobicContact CB-CD1 4.35Å; L168-I1141 WeakPolarHBondContact O-CD1 3.48Å; I1137-I1141 HydrophobicContact CG2-CD1 4.05Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; I1137-I1141 PolarHBondContact O-N 3.08Å; N1138-I1141 PolarHBondContact O-N 3.16Å; R1139-I1141 VanDerWaalsContact C-N 3.31Å; R1139-I1141 PolarHBondContact O-N 2.97Å; I1141-M1144 HydrophobicContact CG1-CE 4.05Å; I1141-M1144 PolarHBondContact O-N 3.29Å; I1141-E1145 HydrophobicContact CG2-CG 4.25Å; I1141-E1145 PolarHBondContact O-N 3.2Å |
| 1142 | I | 86 | Confident | 83.6 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 175.8 | -63.8 | 174.6 | 0 | 0 | 0 | 111 | Q1106 W1111 A1114 I1115 Y1118 N1138 R1139 M1144 E1145 K1146 Y1147 | Q1106-I1142 HydrophobicContact CG-CD1 4.22Å; Q1106-I1142 HydrophobicContact CG-CG1 4.43Å; W1111-I1142 HydrophobicContact CB-CG2 4.08Å; W1111-I1142 HydrophobicContact CE3-CD1 4.31Å; W1111-I1142 HydrophobicContact CE3-CG1 4.03Å; W1111-I1142 HydrophobicContact CE3-CG2 4.08Å; W1111-I1142 HydrophobicContact CZ3-CG1 4.4Å; A1114-I1142 HydrophobicContact CB-CD1 3.73Å; I1115-I1142 HydrophobicContact CD1-CG2 3.75Å; I1115-I1142 HydrophobicContact CG1-CG2 3.97Å; Y1118-I1142 HydrophobicContact CD2-CD1 4.22Å; Y1118-I1142 HydrophobicContact CE2-CD1 3.89Å; N1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; N1138-I1142 PolarHBondContact O-N 2.99Å; N1138-I1142 VanDerWaalsContact O-N 3.14Å; R1139-I1142 PolarHBondContact O-N 3.13Å; I1142-M1144 VanDerWaalsContact C-N 3.32Å; I1142-M1144 PolarHBondContact O-N 2.85Å; I1142-E1145 PolarHBondContact O-N 3.07Å; I1142-K1146 WeakPolarHBondContact O-CB 3.39Å; I1142-K1146 PolarHBondContact O-N 3.01Å; I1142-K1146 VanDerWaalsContact O-N 3.08Å; I1142-Y1147 HydrophobicContact CG2-CD2 4.21Å; I1142-Y1147 HydrophobicContact CG2-CE2 3.73Å |
| 1143 | Y | 87.9 | Confident | 84.1 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 12% | 0.122 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -60.9 | -38.3 | 176.2 | -68 | -39.4 | 0 | 0 | 0 | 112.9 | I1115 R1139 S1140 Y1147 Q1148 D1149 K1152 D1156 | I1115-Y1143 HydrophobicContact CD1-CD1 4.19Å; I1115-Y1143 HydrophobicContact CD1-CE1 3.7Å; I1115-Y1143 HydrophobicContact CG1-CE1 4.19Å; I1115-Y1143 HydrophobicContact CG2-CE1 4.4Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 3.64Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.27Å; R1139-Y1143 PolarHBondContact O-N 3.29Å; S1140-Y1143 PolarHBondContact O-N 3.01Å; Y1143-Y1147 HydrophobicContact CD1-CD2 4.28Å; Y1143-Q1148 PolarHBondContact O-N 3.14Å; Y1143-D1149 PolarHBondContact O-N 3.37Å; Y1143-K1152 HydrophobicContact CD1-CB 4.34Å; Y1143-K1152 HydrophobicContact CD1-CD 4.1Å; Y1143-K1152 HydrophobicContact CD2-CB 3.51Å; Y1143-K1152 HydrophobicContact CD2-CD 4.46Å; Y1143-K1152 HydrophobicContact CE1-CD 3.77Å; Y1143-K1152 HydrophobicContact CE2-CB 3.72Å; Y1143-K1152 HydrophobicContact CE2-CD 4.13Å; Y1143-K1152 HydrophobicContact CG-CB 3.86Å; Y1143-K1152 HydrophobicContact CG-CD 4.46Å; Y1143-D1156 WeakPolarHBondContact CE2-OD2 3.24Å |
| 1144 | M | 82.5 | Confident | 84.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -70.5 | -50.6 | 175.9 | -69.3 | -175.7 | -71 | 0 | 0 | 113.2 | L165 S1140 I1141 I1142 Y1150 A1153 C1197 | L165-M1144 HydrophobicContact CD1-CB 3.75Å; L165-M1144 HydrophobicContact CD1-CE 4.5Å; L165-M1144 HydrophobicContact CD1-CG 4.39Å; L165-M1144 HydrophobicContact CD1-SD 3.95Å; L165-M1144 HydrophobicContact CD2-CE 4Å; L165-M1144 HydrophobicContact CD2-SD 3.53Å; L165-M1144 VanDerWaalsContact CD2-SD 3.53Å; L165-M1144 HydrophobicContact CG-SD 4.39Å; S1140-M1144 WeakPolarHBondContact O-CG 3.48Å; S1140-M1144 PolarHBondContact O-N 2.76Å; I1141-M1144 HydrophobicContact CG1-CE 4.05Å; I1141-M1144 PolarHBondContact O-N 3.29Å; I1142-M1144 VanDerWaalsContact C-N 3.32Å; I1142-M1144 PolarHBondContact O-N 2.85Å; M1144-Y1150 HydrophobicContact CG-CD1 4.2Å; M1144-Y1150 HydrophobicContact CG-CE1 4.45Å; M1144-A1153 HydrophobicContact CG-CB 3.57Å; M1144-A1153 HydrophobicContact SD-CB 4.41Å; M1144-C1197 PolarHBondContact SD-SG 3.38Å |
| 1145 | E | 77.1 | Confident | 85.2 | Confident | 82 Ų | 82 | 41.9 Ų | 41.9 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -77.6 | -28.4 | -170.6 | -70.9 | -157.3 | 153.8 | 0 | 0 | 114.4 | I1141 I1142 | I1141-E1145 HydrophobicContact CG2-CG 4.25Å; I1141-E1145 PolarHBondContact O-N 3.2Å; I1142-E1145 PolarHBondContact O-N 3.07Å |
| 1146 | K | 80.3 | Confident | 85.4 | Confident | 92 Ų | 92 | 42.5 Ų | 42.5 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -112.4 | -53.1 | -169.5 | -55.9 | -66.2 | 163.3 | 167.6 | 0 | 113.1 | W1111 I1142 | W1111-K1146 HydrophobicContact CD2-CD 3.94Å; W1111-K1146 HydrophobicContact CD2-CG 3.68Å; W1111-K1146 VanDerWaalsContact CE2-CE 3.47Å; W1111-K1146 HydrophobicContact CE3-CD 4.41Å; W1111-K1146 HydrophobicContact CE3-CG 3.93Å; W1111-K1146 HydrophobicContact CG-CD 4.4Å; W1111-K1146 HydrophobicContact CG-CG 4.02Å; W1111-K1146 HydrophobicContact CH2-CD 4.4Å; W1111-K1146 VanDerWaalsContact CH2-CE 3.41Å; W1111-K1146 HydrophobicContact CZ2-CD 3.9Å; W1111-K1146 HydrophobicContact CZ2-CG 4.45Å; W1111-K1146 HydrophobicContact CZ3-CG 4.41Å; I1142-K1146 WeakPolarHBondContact O-CB 3.39Å; I1142-K1146 PolarHBondContact O-N 3.01Å; I1142-K1146 VanDerWaalsContact O-N 3.08Å |
| 1147 | Y | 81.3 | Confident | 85.4 | Confident | 94 Ų | 94 | 41.6 Ų | 41.6 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -88.1 | -14.2 | -176.4 | -56.6 | -94 | 0 | 0 | 0 | 112.5 | W1111 D1112 I1115 I1142 Y1143 D1149 | W1111-Y1147 HydrophobicContact CB-CE2 4.18Å; W1111-Y1147 WeakPolarHBondContact CB-OH 3.21Å; D1112-Y1147 PolarHBondContact OD1-OH 3.3Å; D1112-Y1147 PolarHBondContact OD2-OH 3.23Å; I1115-Y1147 HydrophobicContact CD1-CD2 4.36Å; I1115-Y1147 HydrophobicContact CD1-CE2 3.58Å; I1142-Y1147 HydrophobicContact CG2-CD2 4.21Å; I1142-Y1147 HydrophobicContact CG2-CE2 3.73Å; Y1143-Y1147 HydrophobicContact CD1-CD2 4.28Å; Y1147-D1149 PolarHBondContact O-N 2.93Å; Y1147-D1149 VanDerWaalsContact O-N 3.17Å |
| 1148 | Q | 79.3 | Confident | 85.6 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | trans | 52.8 | 29 | -170.9 | -57.4 | -175.1 | -4.4 | 0 | 0 | 112.3 | Y1143 Y1150 | Y1143-Q1148 PolarHBondContact O-N 3.14Å; Q1148-Y1150 HydrophobicContact CB-CE2 4.15Å; Q1148-Y1150 WeakPolarHBondContact O-CD2 3.3Å; Q1148-Y1150 WeakPolarHBondContact O-CE2 3.32Å; Q1148-Y1150 PolarHBondContact O-N 3.28Å | ||
| 1149 | D | 85.7 | Confident | 85.8 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 21% | 0.214 | 23% | 0.225 | C | C | . | . | trans | -91.7 | 73.2 | -177.7 | -167.8 | -23.5 | 0 | 0 | 0 | 109.9 | Y1143 Y1147 H1151 K1152 A1153 | Y1143-D1149 PolarHBondContact O-N 3.37Å; Y1147-D1149 PolarHBondContact O-N 2.93Å; Y1147-D1149 VanDerWaalsContact O-N 3.17Å; D1149-H1151 PolarHBondContact O-N 3.45Å; D1149-H1151 PolarHBondContact OD1-N 3.38Å; D1149-K1152 PolarHBondContact O-N 3.5Å; D1149-K1152 PolarHBondContact OD1-N 3.09Å; D1149-K1152 WeakPolarHBondContact OD2-CD 3.46Å; D1149-K1152 VanDerWaalsContact OD2-CE 3.31Å; D1149-K1152 WeakPolarHBondContact OD2-CE 3.46Å; D1149-K1152 WeakPolarHBondContact OD2-CG 3.48Å; D1149-K1152 IonicContact OD2-NZ 3.66Å; D1149-K1152 PolarHBondContact OD2-NZ 3.19Å; D1149-A1153 PolarHBondContact O-N 3.12Å; D1149-A1153 VanDerWaalsContact O-N 3.14Å | ||
| 1150 | Y | 85.4 | Confident | 85.5 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -22.1 | 179.2 | -54.5 | -73.9 | 0 | 0 | 0 | 112.6 | M1144 Q1148 I1154 C1197 R1200 L1201 | M1144-Y1150 HydrophobicContact CG-CD1 4.2Å; M1144-Y1150 HydrophobicContact CG-CE1 4.45Å; Q1148-Y1150 HydrophobicContact CB-CE2 4.15Å; Q1148-Y1150 WeakPolarHBondContact O-CD2 3.3Å; Q1148-Y1150 WeakPolarHBondContact O-CE2 3.32Å; Q1148-Y1150 PolarHBondContact O-N 3.28Å; Y1150-I1154 WeakPolarHBondContact O-CB 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CD1 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CG1 3.34Å; Y1150-I1154 PolarHBondContact O-N 3.1Å; Y1150-C1197 HydrophobicContact CD1-CB 4.5Å; Y1150-R1200 HydrophobicContact CD1-CB 3.96Å; Y1150-R1200 HydrophobicContact CD1-CG 4.4Å; Y1150-R1200 HydrophobicContact CD2-CB 3.83Å; Y1150-R1200 HydrophobicContact CE1-CB 3.84Å; Y1150-R1200 HydrophobicContact CE1-CG 3.89Å; Y1150-R1200 HydrophobicContact CE2-CB 3.72Å; Y1150-R1200 HydrophobicContact CE2-CG 4.35Å; Y1150-R1200 HydrophobicContact CG-CB 3.96Å; Y1150-L1201 HydrophobicContact CD2-CD2 4.37Å |
| 1151 | H | 87.7 | Confident | 85.4 | Confident | 104 Ų | 104 | 51.1 Ų | 51.1 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -47.9 | 175.5 | -73.5 | -70.3 | 0 | 0 | 0 | 111.7 | D1149 N1155 | D1149-H1151 PolarHBondContact O-N 3.45Å; D1149-H1151 PolarHBondContact OD1-N 3.38Å; H1151-N1155 PolarHBondContact O-N 2.85Å |
| 1152 | K | 88.4 | Confident | 85.5 | Confident | 98 Ų | 98 | 55 Ų | 55 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.2 | -68.8 | -175 | -172.7 | 114 | 0 | 111.7 | Y1143 D1149 I1154 N1155 D1156 | Y1143-K1152 HydrophobicContact CD1-CB 4.34Å; Y1143-K1152 HydrophobicContact CD1-CD 4.1Å; Y1143-K1152 HydrophobicContact CD2-CB 3.51Å; Y1143-K1152 HydrophobicContact CD2-CD 4.46Å; Y1143-K1152 HydrophobicContact CE1-CD 3.77Å; Y1143-K1152 HydrophobicContact CE2-CB 3.72Å; Y1143-K1152 HydrophobicContact CE2-CD 4.13Å; Y1143-K1152 HydrophobicContact CG-CB 3.86Å; Y1143-K1152 HydrophobicContact CG-CD 4.46Å; D1149-K1152 PolarHBondContact O-N 3.5Å; D1149-K1152 PolarHBondContact OD1-N 3.09Å; D1149-K1152 WeakPolarHBondContact OD2-CD 3.46Å; D1149-K1152 VanDerWaalsContact OD2-CE 3.31Å; D1149-K1152 WeakPolarHBondContact OD2-CE 3.46Å; D1149-K1152 WeakPolarHBondContact OD2-CG 3.48Å; D1149-K1152 IonicContact OD2-NZ 3.66Å; D1149-K1152 PolarHBondContact OD2-NZ 3.19Å; K1152-I1154 VanDerWaalsContact C-N 3.35Å; K1152-I1154 PolarHBondContact O-N 3.29Å; K1152-N1155 PolarHBondContact O-N 3.25Å; K1152-D1156 PolarHBondContact O-N 3.15Å |
| 1153 | A | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1144 D1149 N1155 D1156 L1157 | M1144-A1153 HydrophobicContact CG-CB 3.57Å; M1144-A1153 HydrophobicContact SD-CB 4.41Å; D1149-A1153 PolarHBondContact O-N 3.12Å; D1149-A1153 VanDerWaalsContact O-N 3.14Å; A1153-N1155 VanDerWaalsContact C-N 3.33Å; A1153-N1155 PolarHBondContact O-N 3.03Å; A1153-D1156 PolarHBondContact O-N 3.02Å; A1153-L1157 WeakPolarHBondContact O-CB 3.39Å; A1153-L1157 WeakPolarHBondContact O-CG 3.24Å; A1153-L1157 PolarHBondContact O-N 2.86Å |
| 1154 | I | 87.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.5 | -75.3 | 164.3 | 0 | 0 | 0 | 112 | Y1150 K1152 L1157 Y1158 C1197 L1201 | Y1150-I1154 WeakPolarHBondContact O-CB 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CD1 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CG1 3.34Å; Y1150-I1154 PolarHBondContact O-N 3.1Å; K1152-I1154 VanDerWaalsContact C-N 3.35Å; K1152-I1154 PolarHBondContact O-N 3.29Å; I1154-L1157 PolarHBondContact O-N 2.93Å; I1154-Y1158 HydrophobicContact CG2-CD2 3.55Å; I1154-Y1158 HydrophobicContact CG2-CE2 3.37Å; I1154-Y1158 VanDerWaalsContact O-CD2 3.27Å; I1154-Y1158 WeakPolarHBondContact O-CD2 3.48Å; I1154-Y1158 PolarHBondContact O-N 3.28Å; I1154-C1197 HydrophobicContact CD1-CB 3.61Å; I1154-C1197 HydrophobicContact CG1-CB 3.35Å; I1154-L1201 HydrophobicContact CD1-CD1 3.49Å; I1154-L1201 VanDerWaalsContact CD1-CD1 3.49Å |
| 1155 | N | 90 | Very high | 84.4 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 179.5 | -69.3 | -17 | 0 | 0 | 0 | 111.4 | H1151 K1152 A1153 Y1158 Q1159 | H1151-N1155 PolarHBondContact O-N 2.85Å; K1152-N1155 PolarHBondContact O-N 3.25Å; A1153-N1155 VanDerWaalsContact C-N 3.33Å; A1153-N1155 PolarHBondContact O-N 3.03Å; N1155-Y1158 PolarHBondContact O-N 2.59Å; N1155-Q1159 PolarHBondContact O-N 3.2Å; N1155-Q1159 VanDerWaalsContact O-N 3.17Å |
| 1156 | D | 89.4 | Confident | 84.3 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.2 | -77.2 | -9.7 | 0 | 0 | 0 | 111.9 | F1136 R1139 Y1143 K1152 A1153 Y1158 Q1159 A1160 | F1136-D1156 HydrophobicContact CB-CB 4.49Å; F1136-D1156 HydrophobicContact CD1-CB 3.94Å; R1139-D1156 IonicContact CZ-OD1 3.6Å; R1139-D1156 IonicContact CZ-OD2 3.13Å; R1139-D1156 IonicContact NE-OD1 2.75Å; R1139-D1156 IonicContact NE-OD2 2.65Å; R1139-D1156 PolarHBondContact NE-OD2 2.93Å; R1139-D1156 IonicContact NH2-OD1 3.19Å; R1139-D1156 PolarHBondContact NH2-OD1 3.26Å; R1139-D1156 IonicContact NH2-OD2 3.59Å; R1139-D1156 PolarHBondContact NH2-OD2 3.39Å; Y1143-D1156 WeakPolarHBondContact CE2-OD2 3.24Å; K1152-D1156 PolarHBondContact O-N 3.15Å; A1153-D1156 PolarHBondContact O-N 3.02Å; D1156-Y1158 VanDerWaalsContact C-N 3.33Å; D1156-Y1158 PolarHBondContact O-N 3.47Å; D1156-Q1159 PolarHBondContact O-N 3.49Å; D1156-A1160 PolarHBondContact O-N 3.4Å |
| 1157 | L | 88.2 | Confident | 83.8 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 176.5 | -69.8 | 167.8 | 0 | 0 | 0 | 112.1 | S1140 A1153 I1154 A1160 K1161 L1190 T1193 I1194 | S1140-L1157 WeakPolarHBondContact OG-CD2 3.28Å; A1153-L1157 WeakPolarHBondContact O-CB 3.39Å; A1153-L1157 WeakPolarHBondContact O-CG 3.24Å; A1153-L1157 PolarHBondContact O-N 2.86Å; I1154-L1157 PolarHBondContact O-N 2.93Å; L1157-A1160 PolarHBondContact O-N 3.4Å; L1157-K1161 PolarHBondContact O-N 2.79Å; L1157-L1190 HydrophobicContact CD2-CD1 3.8Å; L1157-L1190 HydrophobicContact CD2-CG 4.01Å; L1157-L1190 WeakPolarHBondContact O-CD2 3.36Å; L1157-T1193 WeakPolarHBondContact CD2-OG1 3.16Å; L1157-I1194 HydrophobicContact CB-CD1 3.96Å; L1157-I1194 HydrophobicContact CB-CG1 3.55Å; L1157-I1194 HydrophobicContact CD1-CG1 4.01Å; L1157-I1194 HydrophobicContact CG-CG1 4.36Å |
| 1158 | Y | 88.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 35% | 0.349 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 174 | -81.2 | -51.4 | 0 | 0 | 0 | 113 | I1154 N1155 D1156 K1161 M1162 I1194 H1198 | I1154-Y1158 HydrophobicContact CG2-CD2 3.55Å; I1154-Y1158 HydrophobicContact CG2-CE2 3.37Å; I1154-Y1158 VanDerWaalsContact O-CD2 3.27Å; I1154-Y1158 WeakPolarHBondContact O-CD2 3.48Å; I1154-Y1158 PolarHBondContact O-N 3.28Å; N1155-Y1158 PolarHBondContact O-N 2.59Å; D1156-Y1158 VanDerWaalsContact C-N 3.33Å; D1156-Y1158 PolarHBondContact O-N 3.47Å; Y1158-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1158-K1161 PolarHBondContact O-N 3.14Å; Y1158-M1162 WeakPolarHBondContact O-CG 3.48Å; Y1158-M1162 PolarHBondContact O-N 3.11Å; Y1158-I1194 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1194 HydrophobicContact CE1-CD1 4.07Å; Y1158-I1194 HydrophobicContact CE1-CG2 4.13Å; Y1158-H1198 PolarHBondContact OH-NE2 3.01Å |
| 1159 | Q | 87.6 | Confident | 82.4 | Confident | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 173.4 | -64.5 | -58.6 | -30.4 | 0 | 0 | 111.5 | F1136 N1155 D1156 K1161 M1162 I1163 | F1136-Q1159 HydrophobicContact CD1-CB 3.95Å; F1136-Q1159 HydrophobicContact CD2-CB 4.03Å; F1136-Q1159 HydrophobicContact CE1-CB 3.64Å; F1136-Q1159 HydrophobicContact CE1-CG 3.85Å; F1136-Q1159 HydrophobicContact CE2-CB 3.75Å; F1136-Q1159 HydrophobicContact CG-CB 4.16Å; F1136-Q1159 HydrophobicContact CZ-CB 3.54Å; F1136-Q1159 HydrophobicContact CZ-CG 3.88Å; N1155-Q1159 PolarHBondContact O-N 3.2Å; N1155-Q1159 VanDerWaalsContact O-N 3.17Å; D1156-Q1159 PolarHBondContact O-N 3.49Å; Q1159-K1161 VanDerWaalsContact C-N 3.27Å; Q1159-K1161 PolarHBondContact O-N 3.25Å; Q1159-M1162 PolarHBondContact O-N 3.41Å; Q1159-M1162 VanDerWaalsContact O-N 3.12Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.21Å; Q1159-I1163 PolarHBondContact O-N 3.48Å |
| 1160 | A | 84.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1133 F1136 I1137 D1156 L1157 I1163 M1164 L1190 | L1133-A1160 HydrophobicContact CD1-CB 3.67Å; L1133-A1160 WeakPolarHBondContact CD1-O 3.34Å; F1136-A1160 HydrophobicContact CB-CB 4.01Å; I1137-A1160 HydrophobicContact CD1-CB 4.42Å; I1137-A1160 HydrophobicContact CG1-CB 4.01Å; D1156-A1160 PolarHBondContact O-N 3.4Å; L1157-A1160 PolarHBondContact O-N 3.4Å; A1160-I1163 PolarHBondContact O-N 2.94Å; A1160-M1164 PolarHBondContact O-N 3Å; A1160-M1164 VanDerWaalsContact O-N 3.16Å; A1160-L1190 HydrophobicContact CB-CD1 3.53Å |
| 1161 | K | 84.3 | Confident | 79.7 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 172.2 | -155.6 | -152.8 | 170.4 | -136.9 | 0 | 112.1 | L1157 Y1158 Q1159 I1163 M1164 D1165 L1187 L1190 M1191 | L1157-K1161 PolarHBondContact O-N 2.79Å; Y1158-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1158-K1161 PolarHBondContact O-N 3.14Å; Q1159-K1161 VanDerWaalsContact C-N 3.27Å; Q1159-K1161 PolarHBondContact O-N 3.25Å; K1161-I1163 PolarHBondContact O-N 3.33Å; K1161-M1164 PolarHBondContact O-N 3.13Å; K1161-M1164 VanDerWaalsContact O-N 3.12Å; K1161-D1165 WeakPolarHBondContact CE-OD1 3.49Å; K1161-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1161-D1165 IonicContact NZ-OD1 2.7Å; K1161-D1165 IonicContact NZ-OD2 2.73Å; K1161-D1165 PolarHBondContact NZ-OD2 2.7Å; K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 PolarHBondContact O-N 2.87Å; K1161-L1187 HydrophobicContact CD-CD1 4.44Å; K1161-L1187 HydrophobicContact CG-CD1 3.69Å; K1161-L1190 HydrophobicContact CB-CD2 3.6Å; K1161-L1190 HydrophobicContact CG-CD2 3.86Å; K1161-M1191 HydrophobicContact CD-CG 4.49Å |
| 1162 | M | 85.6 | Confident | 77.8 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 51% | 0.507 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -24.4 | 179.5 | -73.2 | -178.5 | 67.5 | 0 | 0 | 113.4 | Y1158 Q1159 K1166 | Y1158-M1162 WeakPolarHBondContact O-CG 3.48Å; Y1158-M1162 PolarHBondContact O-N 3.11Å; Q1159-M1162 PolarHBondContact O-N 3.41Å; Q1159-M1162 VanDerWaalsContact O-N 3.12Å; M1162-K1166 WeakPolarHBondContact O-CD 3.43Å; M1162-K1166 WeakPolarHBondContact O-CG 3.48Å |
| 1163 | I | 79.3 | Confident | 75.8 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.1 | -49.7 | 171.7 | -68.6 | 166.1 | 0 | 0 | 0 | 110.3 | Q1132 L1133 F1136 Q1159 A1160 K1161 D1165 K1166 F1167 | Q1132-I1163 HydrophobicContact CB-CD1 4Å; L1133-I1163 HydrophobicContact CB-CG2 4.16Å; F1136-I1163 HydrophobicContact CD2-CD1 3.93Å; F1136-I1163 HydrophobicContact CE2-CD1 3.96Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.21Å; Q1159-I1163 PolarHBondContact O-N 3.48Å; A1160-I1163 PolarHBondContact O-N 2.94Å; K1161-I1163 PolarHBondContact O-N 3.33Å; I1163-D1165 PolarHBondContact O-N 2.88Å; I1163-K1166 WeakPolarHBondContact O-CB 3.39Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1163-K1166 VanDerWaalsContact O-N 3.13Å; I1163-F1167 HydrophobicContact CG2-CD2 3.9Å; I1163-F1167 HydrophobicContact CG2-CE2 3.54Å; I1163-F1167 VanDerWaalsContact O-CD2 3.3Å; I1163-F1167 WeakPolarHBondContact O-CD2 3.36Å; I1163-F1167 PolarHBondContact O-N 2.92Å |
| 1164 | M | 75.7 | Confident | 73.7 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.1 | -69.4 | -175 | -67.3 | 0 | 0 | 113.7 | L1133 A1160 K1161 K1166 F1167 M1168 L1186 L1187 L1190 | L1133-M1164 HydrophobicContact CD1-CE 4.43Å; L1133-M1164 HydrophobicContact CD1-CG 3.81Å; L1133-M1164 HydrophobicContact CD1-SD 4.26Å; L1133-M1164 HydrophobicContact CD2-CG 3.78Å; L1133-M1164 HydrophobicContact CD2-SD 4.35Å; L1133-M1164 HydrophobicContact CG-CG 4.48Å; A1160-M1164 PolarHBondContact O-N 3Å; A1160-M1164 VanDerWaalsContact O-N 3.16Å; K1161-M1164 PolarHBondContact O-N 3.13Å; K1161-M1164 VanDerWaalsContact O-N 3.12Å; M1164-K1166 PolarHBondContact O-N 3.41Å; M1164-F1167 PolarHBondContact O-N 3.32Å; M1164-F1167 VanDerWaalsContact O-N 3.14Å; M1164-M1168 PolarHBondContact O-N 3.31Å; M1164-L1186 HydrophobicContact SD-CB 3.9Å; M1164-L1186 HydrophobicContact SD-CD2 3.72Å; M1164-L1186 HydrophobicContact SD-CG 4.24Å; M1164-L1187 HydrophobicContact CB-CD1 4.45Å; M1164-L1187 HydrophobicContact CE-CB 4.4Å; M1164-L1187 HydrophobicContact CE-CD1 3.93Å; M1164-L1187 HydrophobicContact SD-CB 4.38Å; M1164-L1190 HydrophobicContact CE-CB 3.88Å; M1164-L1190 HydrophobicContact CE-CD1 3.78Å; M1164-L1190 HydrophobicContact CE-CD2 3.79Å; M1164-L1190 HydrophobicContact CE-CG 4.01Å |
| 1165 | D | 78.1 | Confident | 71.6 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -25.6 | 176.4 | -72.9 | -14.5 | 0 | 0 | 0 | 110.9 | K1161 I1163 N1169 | K1161-D1165 WeakPolarHBondContact CE-OD1 3.49Å; K1161-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1161-D1165 IonicContact NZ-OD1 2.7Å; K1161-D1165 IonicContact NZ-OD2 2.73Å; K1161-D1165 PolarHBondContact NZ-OD2 2.7Å; K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 PolarHBondContact O-N 2.87Å; I1163-D1165 PolarHBondContact O-N 2.88Å; D1165-N1169 PolarHBondContact O-N 2.96Å; D1165-N1169 PolarHBondContact O-ND2 3.14Å |
| 1166 | K | 76.1 | Confident | 69.4 | Low | 122 Ų | 122 | 74.8 Ų | 74.8 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.1 | -47.4 | 170.7 | -69.7 | 167.4 | -174.6 | 176.8 | 0 | 112.6 | M1162 I1163 M1164 M1168 N1169 S1170 | M1162-K1166 WeakPolarHBondContact O-CD 3.43Å; M1162-K1166 WeakPolarHBondContact O-CG 3.48Å; I1163-K1166 WeakPolarHBondContact O-CB 3.39Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1163-K1166 VanDerWaalsContact O-N 3.13Å; M1164-K1166 PolarHBondContact O-N 3.41Å; K1166-M1168 VanDerWaalsContact C-N 3.28Å; K1166-M1168 PolarHBondContact O-N 3.29Å; K1166-N1169 WeakPolarHBondContact O-CA 3.3Å; K1166-N1169 PolarHBondContact O-N 2.84Å; K1166-S1170 PolarHBondContact O-N 3.06Å; K1166-S1170 PolarHBondContact O-OG 2.87Å |
| 1167 | F | 68.2 | Low | 67.7 | Low | 24 Ų | 24 | 77.1 Ų | 77.1 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 177.9 | -79.1 | -72.4 | 0 | 0 | 0 | 112.2 | Y1128 I1163 M1164 S1170 T1171 I1183 | Y1128-F1167 VanDerWaalsContact O-CZ 3.31Å; Y1128-F1167 WeakPolarHBondContact O-CZ 3.29Å; I1163-F1167 HydrophobicContact CG2-CD2 3.9Å; I1163-F1167 HydrophobicContact CG2-CE2 3.54Å; I1163-F1167 VanDerWaalsContact O-CD2 3.3Å; I1163-F1167 WeakPolarHBondContact O-CD2 3.36Å; I1163-F1167 PolarHBondContact O-N 2.92Å; M1164-F1167 PolarHBondContact O-N 3.32Å; M1164-F1167 VanDerWaalsContact O-N 3.14Å; F1167-S1170 WeakPolarHBondContact CA-OG 3.39Å; F1167-S1170 PolarHBondContact O-N 3.3Å; F1167-S1170 PolarHBondContact O-OG 3.42Å; F1167-T1171 PolarHBondContact O-N 3.21Å; F1167-T1171 PolarHBondContact O-OG1 2.76Å; F1167-I1183 HydrophobicContact CB-CD1 4.13Å |
| 1168 | M | 67.1 | Low | 65.9 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 30% | 0.296 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 171.5 | -78.6 | -63.6 | -61 | 0 | 0 | 112 | M1164 K1166 S1170 T1171 I1183 | M1164-M1168 PolarHBondContact O-N 3.31Å; K1166-M1168 VanDerWaalsContact C-N 3.28Å; K1166-M1168 PolarHBondContact O-N 3.29Å; M1168-S1170 VanDerWaalsContact C-N 3.26Å; M1168-S1170 PolarHBondContact O-N 2.87Å; M1168-T1171 WeakPolarHBondContact CA-OG1 3.4Å; M1168-T1171 PolarHBondContact O-N 3.35Å; M1168-T1171 VanDerWaalsContact O-N 3.11Å; M1168-T1171 PolarHBondContact O-OG1 2.67Å; M1168-T1171 VanDerWaalsContact O-OG1 3.05Å; M1168-I1183 HydrophobicContact CG-CG2 4.18Å; M1168-I1183 HydrophobicContact SD-CG2 3.37Å; M1168-I1183 WeakPolarHBondContact SD-CG2 3.42Å |
| 1169 | N | 66 | Low | 64 | Low | 112 Ų | 112 | 76.4 Ų | 76.4 | 60% | 0.599 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.4 | -19 | -179.5 | -77.1 | -53.4 | 0 | 0 | 0 | 114.5 | D1165 K1166 H1172 | D1165-N1169 PolarHBondContact O-N 2.96Å; D1165-N1169 PolarHBondContact O-ND2 3.14Å; K1166-N1169 WeakPolarHBondContact O-CA 3.3Å; K1166-N1169 PolarHBondContact O-N 2.84Å; N1169-H1172 PolarHBondContact O-CD2 3.35Å; N1169-H1172 PolarHBondContact OD1-NE2 3.1Å |
| 1170 | S | 59.6 | Low | 62.6 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.3 | 170.9 | 45.3 | 0 | 0 | 0 | 0 | 114.9 | K1166 F1167 M1168 | K1166-S1170 PolarHBondContact O-N 3.06Å; K1166-S1170 PolarHBondContact O-OG 2.87Å; F1167-S1170 WeakPolarHBondContact CA-OG 3.39Å; F1167-S1170 PolarHBondContact O-N 3.3Å; F1167-S1170 PolarHBondContact O-OG 3.42Å; M1168-S1170 VanDerWaalsContact C-N 3.26Å; M1168-S1170 PolarHBondContact O-N 2.87Å |
| 1171 | T | 54.5 | Low | 61.5 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | trans | -115.8 | 8.8 | -171.4 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | F1167 M1168 D1173 N1174 | F1167-T1171 PolarHBondContact O-N 3.21Å; F1167-T1171 PolarHBondContact O-OG1 2.76Å; M1168-T1171 WeakPolarHBondContact CA-OG1 3.4Å; M1168-T1171 PolarHBondContact O-N 3.35Å; M1168-T1171 VanDerWaalsContact O-N 3.11Å; M1168-T1171 PolarHBondContact O-OG1 2.67Å; M1168-T1171 VanDerWaalsContact O-OG1 3.05Å; T1171-D1173 PolarHBondContact O-N 2.71Å; T1171-N1174 PolarHBondContact O-N 2.76Å | ||
| 1172 | H | 46.6 | Very low | 60.3 | Low | 124 Ų | 124 | 77.6 Ų | 77.6 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.7 | -175.3 | -79.9 | -54.4 | 0 | 0 | 0 | 116.7 | N1169 | N1169-H1172 PolarHBondContact O-CD2 3.35Å; N1169-H1172 PolarHBondContact OD1-NE2 3.1Å |
| 1173 | D | 46.6 | Very low | 59.2 | Low | 156 Ų | 156 | 74 Ų | 74 | 83% | 0.834 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.2 | -177.6 | -72.7 | -22.5 | 0 | 0 | 0 | 114.6 | T1171 | T1171-D1173 PolarHBondContact O-N 2.71Š|
| 1174 | N | 44 | Very low | 58.6 | Low | 96 Ų | 96 | 75 Ų | 75 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | trans | -139.8 | 79 | -176.6 | -74 | -77.1 | 0 | 0 | 0 | 114.1 | T1171 N1176 N1177 | T1171-N1174 PolarHBondContact O-N 2.76Å; N1174-N1176 PolarHBondContact O-N 2.81Å; N1174-N1177 PolarHBondContact O-N 3.45Å | ||
| 1175 | E | 43.8 | Very low | 58.4 | Low | 177 Ų | 177 | 79 Ų | 79 | 83% | 0.827 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -19.1 | -179.1 | -60.4 | -174 | 131.3 | 0 | 0 | 115.5 | ||
| 1176 | N | 44.9 | Very low | 58 | Low | 146 Ų | 146 | 77.9 Ų | 77.9 | 78% | 0.781 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10 | -173.4 | -74.6 | -63 | 0 | 0 | 0 | 115.2 | N1174 | N1174-N1176 PolarHBondContact O-N 2.81Š|
| 1177 | N | 52.5 | Low | 58.2 | Low | 61 Ų | 61 | 73.3 Ų | 73.3 | 33% | 0.326 | 38% | 0.383 | S | S | . | . | trans | -65.2 | 141.6 | -174.2 | -75.9 | 10.9 | 0 | 0 | 0 | 111.6 | N1174 T1179 T1180 | N1174-N1177 PolarHBondContact O-N 3.45Å; N1177-T1179 HydrophobicContact CB-CG2 4.2Å; N1177-T1179 PolarHBondContact O-N 3.4Å; N1177-T1180 HydrophobicContact CB-CG2 4.46Å; N1177-T1180 PolarHBondContact O-N 2.94Å; N1177-T1180 PolarHBondContact O-OG1 3.03Å | ||
| 1178 | E | 51.4 | Low | 58.7 | Low | 72 Ų | 72 | 73.3 Ų | 73.3 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.1 | -23.6 | 175.4 | -49.7 | -139.5 | 94.3 | 0 | 0 | 111.8 | L254 F255 T1180 K1181 V1182 | L254-E1178 HydrophobicContact CD1-CB 3.31Å; L254-E1178 WeakPolarHBondContact CD1-O 3.38Å; F255-E1178 WeakPolarHBondContact CE2-OE2 3.36Å; E1178-T1180 VanDerWaalsContact C-N 3.28Å; E1178-T1180 PolarHBondContact O-N 2.97Å; E1178-K1181 HydrophobicContact CB-CD 4.5Å; E1178-K1181 WeakPolarHBondContact O-CA 3.37Å; E1178-K1181 VanDerWaalsContact O-CB 3.26Å; E1178-K1181 WeakPolarHBondContact O-CB 3.42Å; E1178-K1181 PolarHBondContact O-N 3.22Å; E1178-K1181 IonicContact OE1-NZ 3.93Å; E1178-K1181 PolarHBondContact OE1-NZ 2.86Å; E1178-V1182 PolarHBondContact O-N 2.92Å |
| 1179 | T | 47.6 | Very low | 59.2 | Low | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -52.4 | -42.2 | 173.6 | 78 | 0 | 0 | 0 | 0 | 113 | S253 E982 N1177 K1181 V1182 I1183 | S253-T1179 WeakPolarHBondContact OG-CA 3.34Å; S253-T1179 WeakPolarHBondContact OG-CB 3.37Å; S253-T1179 VanDerWaalsContact OG-CG2 3.26Å; S253-T1179 WeakPolarHBondContact OG-CG2 3.45Å; E982-T1179 VanDerWaalsContact OE1-CG2 3.25Å; E982-T1179 WeakPolarHBondContact OE1-CG2 3.38Å; N1177-T1179 HydrophobicContact CB-CG2 4.2Å; N1177-T1179 PolarHBondContact O-N 3.4Å; T1179-K1181 PolarHBondContact O-N 3.2Å; T1179-V1182 WeakPolarHBondContact O-CG2 3.36Å; T1179-V1182 PolarHBondContact O-N 3.43Å; T1179-I1183 PolarHBondContact O-N 2.91Å |
| 1180 | T | 58.6 | Low | 60 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.7 | -31 | 178.8 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | N1177 E1178 I1183 S1184 | N1177-T1180 HydrophobicContact CB-CG2 4.46Å; N1177-T1180 PolarHBondContact O-N 2.94Å; N1177-T1180 PolarHBondContact O-OG1 3.03Å; E1178-T1180 VanDerWaalsContact C-N 3.28Å; E1178-T1180 PolarHBondContact O-N 2.97Å; T1180-I1183 WeakPolarHBondContact O-CG2 3.28Å; T1180-S1184 VanDerWaalsContact O-CB 3.3Å; T1180-S1184 WeakPolarHBondContact O-CB 3.34Å; T1180-S1184 PolarHBondContact O-N 3.22Å; T1180-S1184 PolarHBondContact O-OG 3.26Å |
| 1181 | K | 60.3 | Low | 61.2 | Low | 104 Ų | 104 | 64.7 Ų | 64.7 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | -179.2 | -54.9 | 172.9 | -167.6 | 155.9 | 0 | 111.2 | E1178 T1179 S1184 E1185 | E1178-K1181 HydrophobicContact CB-CD 4.5Å; E1178-K1181 WeakPolarHBondContact O-CA 3.37Å; E1178-K1181 VanDerWaalsContact O-CB 3.26Å; E1178-K1181 WeakPolarHBondContact O-CB 3.42Å; E1178-K1181 PolarHBondContact O-N 3.22Å; E1178-K1181 IonicContact OE1-NZ 3.93Å; E1178-K1181 PolarHBondContact OE1-NZ 2.86Å; T1179-K1181 PolarHBondContact O-N 3.2Å; K1181-S1184 PolarHBondContact O-N 3.41Å; K1181-S1184 PolarHBondContact O-OG 3.08Å; K1181-E1185 PolarHBondContact O-N 3.48Å |
| 1182 | V | 59 | Low | 62.7 | Low | 36 Ų | 36 | 64.1 Ų | 64.1 | 22% | 0.218 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.6 | -94.3 | 0 | 0 | 0 | 0 | 113.6 | L254 E1178 T1179 S1184 E1185 L1186 | L254-V1182 HydrophobicContact CD1-CG2 4.15Å; L254-V1182 HydrophobicContact CD2-CB 4.35Å; L254-V1182 HydrophobicContact CD2-CG1 3.32Å; L254-V1182 HydrophobicContact CD2-CG2 4.25Å; L254-V1182 HydrophobicContact CG-CB 4.28Å; L254-V1182 HydrophobicContact CG-CG1 3.71Å; L254-V1182 HydrophobicContact CG-CG2 3.65Å; E1178-V1182 PolarHBondContact O-N 2.92Å; T1179-V1182 WeakPolarHBondContact O-CG2 3.36Å; T1179-V1182 PolarHBondContact O-N 3.43Å; V1182-S1184 PolarHBondContact O-N 2.99Å; V1182-E1185 CarbonylContact O-C 3.59Å; V1182-E1185 WeakPolarHBondContact O-CA 3.29Å; V1182-E1185 WeakPolarHBondContact O-CB 3.29Å; V1182-E1185 PolarHBondContact O-N 3.07Å; V1182-E1185 VanDerWaalsContact O-N 3.07Å; V1182-L1186 WeakPolarHBondContact O-CB 3.08Å; V1182-L1186 PolarHBondContact O-N 3.19Å |
| 1183 | I | 62.7 | Low | 64.4 | Low | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -33.2 | -178.8 | -55 | 178.8 | 0 | 0 | 0 | 109.6 | F1167 M1168 T1179 T1180 L1186 L1187 | F1167-I1183 HydrophobicContact CB-CD1 4.13Å; M1168-I1183 HydrophobicContact CG-CG2 4.18Å; M1168-I1183 HydrophobicContact SD-CG2 3.37Å; M1168-I1183 WeakPolarHBondContact SD-CG2 3.42Å; T1179-I1183 PolarHBondContact O-N 2.91Å; T1180-I1183 WeakPolarHBondContact O-CG2 3.28Å; I1183-L1186 PolarHBondContact O-N 3.26Å; I1183-L1187 WeakPolarHBondContact O-CB 3.41Å; I1183-L1187 PolarHBondContact O-N 2.94Å |
| 1184 | S | 68.5 | Low | 66.3 | Low | 37 Ų | 37 | 51.1 Ų | 51.1 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 167.7 | 83.4 | 0 | 0 | 0 | 0 | 112.3 | T1180 K1181 V1182 L1186 L1187 I1188 | T1180-S1184 VanDerWaalsContact O-CB 3.3Å; T1180-S1184 WeakPolarHBondContact O-CB 3.34Å; T1180-S1184 PolarHBondContact O-N 3.22Å; T1180-S1184 PolarHBondContact O-OG 3.26Å; K1181-S1184 PolarHBondContact O-N 3.41Å; K1181-S1184 PolarHBondContact O-OG 3.08Å; V1182-S1184 PolarHBondContact O-N 2.99Å; S1184-L1186 VanDerWaalsContact C-N 3.29Å; S1184-L1186 PolarHBondContact O-N 2.88Å; S1184-L1187 PolarHBondContact O-N 3.16Å; S1184-I1188 WeakPolarHBondContact O-CB 3.22Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.39Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.1Å; S1184-I1188 PolarHBondContact O-N 3Å |
| 1185 | E | 69.8 | Low | 68.3 | Low | 90 Ų | 90 | 46.5 Ų | 46.5 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.5 | -38.6 | 175.4 | -90.1 | -158.1 | -148.1 | 0 | 0 | 112.5 | K1181 V1182 K1189 | K1181-E1185 PolarHBondContact O-N 3.48Å; V1182-E1185 CarbonylContact O-C 3.59Å; V1182-E1185 WeakPolarHBondContact O-CA 3.29Å; V1182-E1185 WeakPolarHBondContact O-CB 3.29Å; V1182-E1185 PolarHBondContact O-N 3.07Å; V1182-E1185 VanDerWaalsContact O-N 3.07Å; E1185-K1189 WeakPolarHBondContact O-CB 2.98Å; E1185-K1189 WeakPolarHBondContact O-CD 3.02Å; E1185-K1189 WeakPolarHBondContact O-CE 3.09Å; E1185-K1189 WeakPolarHBondContact O-CG 3.42Å; E1185-K1189 PolarHBondContact O-N 2.76Å; E1185-K1189 VanDerWaalsContact O-N 3.12Å; E1185-K1189 WeakPolarHBondContact OE2-CE 3.19Å; E1185-K1189 IonicContact OE2-NZ 2.75Å; E1185-K1189 PolarHBondContact OE2-NZ 3.39Å |
| 1186 | L | 70.9 | Confident | 70.2 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.9 | -42 | 178.7 | -143.8 | 91.1 | 0 | 0 | 0 | 111.2 | I169 L1133 Y1134 I1137 M1164 V1182 I1183 S1184 I1188 K1189 L1190 | I169-L1186 HydrophobicContact CD1-CD1 3.81Å; I169-L1186 HydrophobicContact CD1-CD2 4.29Å; I169-L1186 HydrophobicContact CD1-CG 3.94Å; I169-L1186 HydrophobicContact CG1-CD1 4.22Å; L1133-L1186 HydrophobicContact CD2-CD2 3.99Å; L1133-L1186 HydrophobicContact CG-CD2 4.47Å; Y1134-L1186 HydrophobicContact CE1-CD2 4.42Å; I1137-L1186 HydrophobicContact CD1-CD2 4.17Å; M1164-L1186 HydrophobicContact SD-CB 3.9Å; M1164-L1186 HydrophobicContact SD-CD2 3.72Å; M1164-L1186 HydrophobicContact SD-CG 4.24Å; V1182-L1186 WeakPolarHBondContact O-CB 3.08Å; V1182-L1186 PolarHBondContact O-N 3.19Å; I1183-L1186 PolarHBondContact O-N 3.26Å; S1184-L1186 VanDerWaalsContact C-N 3.29Å; S1184-L1186 PolarHBondContact O-N 2.88Å; L1186-I1188 VanDerWaalsContact C-N 3.35Å; L1186-I1188 PolarHBondContact O-N 3.24Å; L1186-K1189 PolarHBondContact O-N 2.81Å; L1186-L1190 VanDerWaalsContact O-CB 3.29Å; L1186-L1190 WeakPolarHBondContact O-CB 3.36Å; L1186-L1190 PolarHBondContact O-N 3.43Å |
| 1187 | L | 78.9 | Confident | 72.1 | Confident | 27 Ų | 27 | 32.2 Ų | 32.2 | 14% | 0.141 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 175 | -175.5 | 64.9 | 0 | 0 | 0 | 111.8 | K1161 M1164 I1183 S1184 L1190 M1191 | K1161-L1187 HydrophobicContact CD-CD1 4.44Å; K1161-L1187 HydrophobicContact CG-CD1 3.69Å; M1164-L1187 HydrophobicContact CB-CD1 4.45Å; M1164-L1187 HydrophobicContact CE-CB 4.4Å; M1164-L1187 HydrophobicContact CE-CD1 3.93Å; M1164-L1187 HydrophobicContact SD-CB 4.38Å; I1183-L1187 WeakPolarHBondContact O-CB 3.41Å; I1183-L1187 PolarHBondContact O-N 2.94Å; S1184-L1187 PolarHBondContact O-N 3.16Å; L1187-L1190 PolarHBondContact O-N 3.47Å; L1187-M1191 HydrophobicContact CD1-SD 4.35Å; L1187-M1191 HydrophobicContact CG-SD 4.29Å; L1187-M1191 WeakPolarHBondContact O-CB 3.4Å; L1187-M1191 PolarHBondContact O-N 3.4Å |
| 1188 | I | 79.5 | Confident | 73.7 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 173.9 | -65.9 | 156.2 | 0 | 0 | 0 | 110.4 | S1184 L1186 L1190 M1191 Y1192 L1214 Q1218 F1221 | S1184-I1188 WeakPolarHBondContact O-CB 3.22Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.39Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.1Å; S1184-I1188 PolarHBondContact O-N 3Å; L1186-I1188 VanDerWaalsContact C-N 3.35Å; L1186-I1188 PolarHBondContact O-N 3.24Å; I1188-L1190 VanDerWaalsContact C-N 3.28Å; I1188-L1190 PolarHBondContact O-N 3.28Å; I1188-M1191 PolarHBondContact O-N 3.39Å; I1188-Y1192 VanDerWaalsContact O-CB 3.24Å; I1188-Y1192 WeakPolarHBondContact O-CB 3.07Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; I1188-L1214 HydrophobicContact CG2-CD2 4.17Å; I1188-Q1218 HydrophobicContact CD1-CB 4.49Å; I1188-Q1218 HydrophobicContact CD1-CG 3.53Å; I1188-Q1218 HydrophobicContact CG1-CG 3.86Å; I1188-F1221 HydrophobicContact CG2-CB 4.41Å; I1188-F1221 HydrophobicContact CG2-CD1 3.72Å; I1188-F1221 HydrophobicContact CG2-CD2 3.73Å; I1188-F1221 HydrophobicContact CG2-CE1 3.82Å; I1188-F1221 HydrophobicContact CG2-CE2 3.83Å; I1188-F1221 HydrophobicContact CG2-CG 3.68Å; I1188-F1221 HydrophobicContact CG2-CZ 3.88Å |
| 1189 | K | 77.5 | Confident | 75.3 | Confident | 62 Ų | 62 | 27.4 Ų | 27.4 | 27% | 0.27 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 178.5 | -72.6 | 160.9 | -161.5 | 164.7 | 0 | 111.9 | L168 E1185 L1186 Y1192 T1193 | L168-K1189 HydrophobicContact CD2-CB 3.86Å; E1185-K1189 WeakPolarHBondContact O-CB 2.98Å; E1185-K1189 WeakPolarHBondContact O-CD 3.02Å; E1185-K1189 WeakPolarHBondContact O-CE 3.09Å; E1185-K1189 WeakPolarHBondContact O-CG 3.42Å; E1185-K1189 PolarHBondContact O-N 2.76Å; E1185-K1189 VanDerWaalsContact O-N 3.12Å; E1185-K1189 WeakPolarHBondContact OE2-CE 3.19Å; E1185-K1189 IonicContact OE2-NZ 2.75Å; E1185-K1189 PolarHBondContact OE2-NZ 3.39Å; L1186-K1189 PolarHBondContact O-N 2.81Å; K1189-Y1192 WeakPolarHBondContact O-CB 3.5Å; K1189-T1193 PolarHBondContact O-N 3.23Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å |
| 1190 | L | 82.7 | Confident | 76.8 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.9 | -38.9 | -178.5 | -179.6 | 135.9 | 0 | 0 | 0 | 113.5 | I1137 L1157 A1160 K1161 M1164 L1186 L1187 I1188 Y1192 T1193 I1194 | I1137-L1190 HydrophobicContact CD1-CD1 4.16Å; I1137-L1190 HydrophobicContact CG1-CD1 4.04Å; L1157-L1190 HydrophobicContact CD2-CD1 3.8Å; L1157-L1190 HydrophobicContact CD2-CG 4.01Å; L1157-L1190 WeakPolarHBondContact O-CD2 3.36Å; A1160-L1190 HydrophobicContact CB-CD1 3.53Å; K1161-L1190 HydrophobicContact CB-CD2 3.6Å; K1161-L1190 HydrophobicContact CG-CD2 3.86Å; M1164-L1190 HydrophobicContact CE-CB 3.88Å; M1164-L1190 HydrophobicContact CE-CD1 3.78Å; M1164-L1190 HydrophobicContact CE-CD2 3.79Å; M1164-L1190 HydrophobicContact CE-CG 4.01Å; L1186-L1190 VanDerWaalsContact O-CB 3.29Å; L1186-L1190 WeakPolarHBondContact O-CB 3.36Å; L1186-L1190 PolarHBondContact O-N 3.43Å; L1187-L1190 PolarHBondContact O-N 3.47Å; I1188-L1190 VanDerWaalsContact C-N 3.28Å; I1188-L1190 PolarHBondContact O-N 3.28Å; L1190-Y1192 PolarHBondContact O-N 3.3Å; L1190-T1193 PolarHBondContact O-N 3.05Å; L1190-T1193 PolarHBondContact O-OG1 3.24Å; L1190-I1194 HydrophobicContact CD2-CD1 3.71Å; L1190-I1194 HydrophobicContact CG-CD1 4.48Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.09Å; L1190-I1194 PolarHBondContact O-N 3.31Å |
| 1191 | M | 84.8 | Confident | 77.9 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -32.6 | 170.8 | -79.4 | 178.2 | 56.3 | 0 | 0 | 110.8 | K1161 L1187 I1188 I1194 G1195 L1214 | K1161-M1191 HydrophobicContact CD-CG 4.49Å; L1187-M1191 HydrophobicContact CD1-SD 4.35Å; L1187-M1191 HydrophobicContact CG-SD 4.29Å; L1187-M1191 WeakPolarHBondContact O-CB 3.4Å; L1187-M1191 PolarHBondContact O-N 3.4Å; I1188-M1191 PolarHBondContact O-N 3.39Å; M1191-I1194 PolarHBondContact O-N 2.88Å; M1191-G1195 PolarHBondContact O-N 3.09Å; M1191-L1214 HydrophobicContact CB-CD1 3.93Å; M1191-L1214 HydrophobicContact CB-CD2 3.8Å; M1191-L1214 HydrophobicContact CB-CG 3.97Å; M1191-L1214 HydrophobicContact CE-CD2 4.37Å; M1191-L1214 HydrophobicContact CE-CG 4.18Å |
| 1192 | Y | 85.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 11% | 0.114 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 175.7 | 169.2 | -97 | 0 | 0 | 0 | 112.5 | P166 I1188 K1189 L1190 G1195 I1196 F1221 K1223 A1227 | P166-Y1192 HydrophobicContact CG-CE1 3.86Å; I1188-Y1192 VanDerWaalsContact O-CB 3.24Å; I1188-Y1192 WeakPolarHBondContact O-CB 3.07Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; K1189-Y1192 WeakPolarHBondContact O-CB 3.5Å; L1190-Y1192 PolarHBondContact O-N 3.3Å; Y1192-G1195 PolarHBondContact O-N 2.95Å; Y1192-I1196 HydrophobicContact CD1-CD1 4.07Å; Y1192-I1196 HydrophobicContact CD2-CD1 4.43Å; Y1192-I1196 HydrophobicContact CE1-CD1 3.53Å; Y1192-I1196 HydrophobicContact CE2-CD1 3.95Å; Y1192-I1196 HydrophobicContact CG-CD1 4.5Å; Y1192-I1196 VanDerWaalsContact CZ-CD1 3.48Å; Y1192-I1196 PolarHBondContact O-N 2.62Å; Y1192-I1196 VanDerWaalsContact O-N 3.11Å; Y1192-F1221 AromaticContact CD2-CE1 3.67Å; Y1192-F1221 HydrophobicContact CD2-CE1 3.67Å; Y1192-F1221 AromaticContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CE2-CE1 4.39Å; Y1192-F1221 HydrophobicContact CE2-CZ 4.46Å; Y1192-F1221 AromaticContact CG-CE1 3.96Å; Y1192-F1221 HydrophobicContact CG-CE1 3.96Å; Y1192-F1221 AromaticContact CG-CZ 3.96Å; Y1192-F1221 HydrophobicContact CG-CZ 3.96Å; Y1192-K1223 HydrophobicContact CE2-CB 3.92Å; Y1192-K1223 WeakPolarHBondContact CE2-O 3.38Å; Y1192-A1227 HydrophobicContact CD2-CB 4.3Å; Y1192-A1227 HydrophobicContact CE2-CB 3.78Å |
| 1193 | T | 82.9 | Confident | 80 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 172 | 51.6 | 0 | 0 | 0 | 0 | 112 | L165 L168 L1157 K1189 L1190 G1195 I1196 C1197 | L165-T1193 HydrophobicContact CD2-CG2 4.27Å; L168-T1193 HydrophobicContact CD1-CG2 3.27Å; L168-T1193 HydrophobicContact CD2-CG2 3.86Å; L168-T1193 HydrophobicContact CG-CG2 4.19Å; L1157-T1193 WeakPolarHBondContact CD2-OG1 3.16Å; K1189-T1193 PolarHBondContact O-N 3.23Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å; L1190-T1193 PolarHBondContact O-N 3.05Å; L1190-T1193 PolarHBondContact O-OG1 3.24Å; T1193-G1195 VanDerWaalsContact C-N 3.31Å; T1193-G1195 PolarHBondContact O-N 3.21Å; T1193-I1196 PolarHBondContact O-N 2.89Å; T1193-C1197 PolarHBondContact O-N 3.05Å; T1193-C1197 PolarHBondContact O-SG 3.49Å |
| 1194 | I | 86.8 | Confident | 80.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 175.7 | -66.6 | 168.2 | 0 | 0 | 0 | 110.3 | L1157 Y1158 L1190 M1191 I1196 C1197 H1198 I1210 | L1157-I1194 HydrophobicContact CB-CD1 3.96Å; L1157-I1194 HydrophobicContact CB-CG1 3.55Å; L1157-I1194 HydrophobicContact CD1-CG1 4.01Å; L1157-I1194 HydrophobicContact CG-CG1 4.36Å; Y1158-I1194 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1194 HydrophobicContact CE1-CD1 4.07Å; Y1158-I1194 HydrophobicContact CE1-CG2 4.13Å; L1190-I1194 HydrophobicContact CD2-CD1 3.71Å; L1190-I1194 HydrophobicContact CG-CD1 4.48Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.09Å; L1190-I1194 PolarHBondContact O-N 3.31Å; M1191-I1194 PolarHBondContact O-N 2.88Å; I1194-I1196 PolarHBondContact O-N 3.35Å; I1194-C1197 PolarHBondContact O-N 3.33Å; I1194-C1197 VanDerWaalsContact O-N 3.17Å; I1194-H1198 PolarHBondContact O-CD2 3.26Å; I1194-H1198 PolarHBondContact O-N 3.28Å; I1194-I1210 HydrophobicContact CG2-CD1 3.79Å |
| 1195 | G | 85.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.8 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1191 Y1192 T1193 C1197 H1198 Q1199 A1207 | M1191-G1195 PolarHBondContact O-N 3.09Å; Y1192-G1195 PolarHBondContact O-N 2.95Å; T1193-G1195 VanDerWaalsContact C-N 3.31Å; T1193-G1195 PolarHBondContact O-N 3.21Å; G1195-C1197 PolarHBondContact O-N 2.78Å; G1195-H1198 PolarHBondContact O-N 3.5Å; G1195-Q1199 PolarHBondContact O-N 2.79Å; G1195-A1207 WeakPolarHBondContact O-CB 3.29Å |
| 1196 | I | 84.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.7 | -70.7 | 170.7 | 0 | 0 | 0 | 111.8 | L165 Y1192 T1193 I1194 Q1199 R1200 | L165-I1196 HydrophobicContact CD2-CG2 4.42Å; Y1192-I1196 HydrophobicContact CD1-CD1 4.07Å; Y1192-I1196 HydrophobicContact CD2-CD1 4.43Å; Y1192-I1196 HydrophobicContact CE1-CD1 3.53Å; Y1192-I1196 HydrophobicContact CE2-CD1 3.95Å; Y1192-I1196 HydrophobicContact CG-CD1 4.5Å; Y1192-I1196 VanDerWaalsContact CZ-CD1 3.48Å; Y1192-I1196 PolarHBondContact O-N 2.62Å; Y1192-I1196 VanDerWaalsContact O-N 3.11Å; T1193-I1196 PolarHBondContact O-N 2.89Å; I1194-I1196 PolarHBondContact O-N 3.35Å; I1196-Q1199 WeakPolarHBondContact O-CB 3.46Å; I1196-Q1199 PolarHBondContact O-N 3.45Å; I1196-R1200 HydrophobicContact CG2-CG 4.33Å; I1196-R1200 WeakPolarHBondContact O-CG 2.99Å; I1196-R1200 PolarHBondContact O-N 3.34Å |
| 1197 | C | 84.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | M1144 Y1150 I1154 T1193 I1194 G1195 Q1199 R1200 L1201 | M1144-C1197 PolarHBondContact SD-SG 3.38Å; Y1150-C1197 HydrophobicContact CD1-CB 4.5Å; I1154-C1197 HydrophobicContact CD1-CB 3.61Å; I1154-C1197 HydrophobicContact CG1-CB 3.35Å; T1193-C1197 PolarHBondContact O-N 3.05Å; T1193-C1197 PolarHBondContact O-SG 3.49Å; I1194-C1197 PolarHBondContact O-N 3.33Å; I1194-C1197 VanDerWaalsContact O-N 3.17Å; G1195-C1197 PolarHBondContact O-N 2.78Å; C1197-Q1199 VanDerWaalsContact C-N 3.35Å; C1197-R1200 PolarHBondContact O-N 2.73Å; C1197-L1201 WeakPolarHBondContact O-CG 3.45Å; C1197-L1201 PolarHBondContact O-N 2.86Å; C1197-L1201 VanDerWaalsContact O-N 3.09Å |
| 1198 | H | 86.5 | Confident | 83.6 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 173.2 | -71.5 | -71.4 | 0 | 0 | 0 | 111.8 | Y1158 I1194 G1195 L1201 E1202 M1203 K1206 A1207 | Y1158-H1198 PolarHBondContact OH-NE2 3.01Å; I1194-H1198 PolarHBondContact O-CD2 3.26Å; I1194-H1198 PolarHBondContact O-N 3.28Å; G1195-H1198 PolarHBondContact O-N 3.5Å; H1198-L1201 CarbonylContact O-C 3.45Å; H1198-L1201 PolarHBondContact O-N 3.25Å; H1198-E1202 PolarHBondContact O-N 3.33Å; H1198-M1203 HydrophobicContact CB-CB 4.19Å; H1198-M1203 PolarHBondContact O-N 2.78Å; H1198-K1206 HydrophobicContact CB-CB 4.4Å; H1198-A1207 HydrophobicContact CB-CB 3.72Å |
| 1199 | Q | 84.4 | Confident | 84 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 174.4 | -174.1 | -176.1 | 3.7 | 0 | 0 | 111.2 | G1195 I1196 C1197 L1201 E1202 Y1204 A1207 C1231 D1234 | G1195-Q1199 PolarHBondContact O-N 2.79Å; I1196-Q1199 WeakPolarHBondContact O-CB 3.46Å; I1196-Q1199 PolarHBondContact O-N 3.45Å; C1197-Q1199 VanDerWaalsContact C-N 3.35Å; Q1199-L1201 VanDerWaalsContact C-N 3.27Å; Q1199-L1201 PolarHBondContact O-N 3.34Å; Q1199-E1202 PolarHBondContact O-N 3.38Å; Q1199-E1202 VanDerWaalsContact O-N 3.16Å; Q1199-Y1204 HydrophobicContact CG-CD1 4.48Å; Q1199-Y1204 HydrophobicContact CG-CE1 4.28Å; Q1199-A1207 HydrophobicContact CB-CB 4.06Å; Q1199-C1231 HydrophobicContact CG-CB 4.45Å; Q1199-D1234 PolarHBondContact NE2-OD2 2.92Å |
| 1200 | R | 79.7 | Confident | 84.5 | Confident | 110 Ų | 110 | 37.1 Ų | 37.1 | 42% | 0.415 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.3 | -15.1 | 175.2 | -67.9 | -56.8 | -163.2 | -175.5 | 7.7 | 114.7 | Y1150 I1196 C1197 | Y1150-R1200 HydrophobicContact CD1-CB 3.96Å; Y1150-R1200 HydrophobicContact CD1-CG 4.4Å; Y1150-R1200 HydrophobicContact CD2-CB 3.83Å; Y1150-R1200 HydrophobicContact CE1-CB 3.84Å; Y1150-R1200 HydrophobicContact CE1-CG 3.89Å; Y1150-R1200 HydrophobicContact CE2-CB 3.72Å; Y1150-R1200 HydrophobicContact CE2-CG 4.35Å; Y1150-R1200 HydrophobicContact CG-CB 3.96Å; I1196-R1200 HydrophobicContact CG2-CG 4.33Å; I1196-R1200 WeakPolarHBondContact O-CG 2.99Å; I1196-R1200 PolarHBondContact O-N 3.34Å; C1197-R1200 PolarHBondContact O-N 2.73Å |
| 1201 | L | 81.8 | Confident | 84.8 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.4 | 170.8 | -70.9 | 178.4 | 0 | 0 | 0 | 113.2 | Y1150 I1154 C1197 H1198 Q1199 M1203 | Y1150-L1201 HydrophobicContact CD2-CD2 4.37Å; I1154-L1201 HydrophobicContact CD1-CD1 3.49Å; I1154-L1201 VanDerWaalsContact CD1-CD1 3.49Å; C1197-L1201 WeakPolarHBondContact O-CG 3.45Å; C1197-L1201 PolarHBondContact O-N 2.86Å; C1197-L1201 VanDerWaalsContact O-N 3.09Å; H1198-L1201 CarbonylContact O-C 3.45Å; H1198-L1201 PolarHBondContact O-N 3.25Å; Q1199-L1201 VanDerWaalsContact C-N 3.27Å; Q1199-L1201 PolarHBondContact O-N 3.34Å; L1201-M1203 HydrophobicContact CB-CE 4.37Å; L1201-M1203 HydrophobicContact CB-CG 4.04Å; L1201-M1203 HydrophobicContact CD1-CE 4.38Å; L1201-M1203 PolarHBondContact O-N 2.67Å |
| 1202 | E | 79.1 | Confident | 85 | Confident | 81 Ų | 81 | 40 Ų | 40 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 16 | -177.5 | -57 | 162.2 | 161.7 | 0 | 0 | 112.9 | Q146 H1198 Q1199 Y1204 Y1238 | Q146-E1202 PolarHBondContact NE2-OE2 3.41Å; H1198-E1202 PolarHBondContact O-N 3.33Å; Q1199-E1202 PolarHBondContact O-N 3.38Å; Q1199-E1202 VanDerWaalsContact O-N 3.16Å; E1202-Y1204 HydrophobicContact CB-CD2 4.42Å; E1202-Y1204 HydrophobicContact CB-CE2 3.73Å; E1202-Y1204 HydrophobicContact CG-CE2 4.2Å; E1202-Y1204 WeakPolarHBondContact O-CD2 3.13Å; E1202-Y1204 PolarHBondContact O-N 3.5Å; E1202-Y1238 HydrophobicContact CB-CD2 4.49Å; E1202-Y1238 HydrophobicContact CB-CE2 4.07Å; E1202-Y1238 HydrophobicContact CG-CD2 4.42Å; E1202-Y1238 HydrophobicContact CG-CE2 4.12Å |
| 1203 | M | 83.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 29% | 0.286 | 21% | 0.207 | S | C | . | . | trans | -85.5 | 49.2 | 177 | -60.4 | -162.3 | -170.1 | 0 | 0 | 110.8 | H1198 L1201 T1205 K1206 A1207 | H1198-M1203 HydrophobicContact CB-CB 4.19Å; H1198-M1203 PolarHBondContact O-N 2.78Å; L1201-M1203 HydrophobicContact CB-CE 4.37Å; L1201-M1203 HydrophobicContact CB-CG 4.04Å; L1201-M1203 HydrophobicContact CD1-CE 4.38Å; L1201-M1203 PolarHBondContact O-N 2.67Å; M1203-T1205 PolarHBondContact O-N 3.37Å; M1203-T1205 VanDerWaalsContact O-N 3.08Å; M1203-K1206 HydrophobicContact CB-CB 4.47Å; M1203-K1206 HydrophobicContact CB-CD 4.47Å; M1203-K1206 PolarHBondContact O-N 3.17Å; M1203-K1206 HydrophobicContact SD-CD 4.2Å; M1203-A1207 PolarHBondContact O-N 3.24Å | ||
| 1204 | Y | 83.1 | Confident | 85.3 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.7 | -32.5 | -170.8 | -59.4 | -69.8 | 0 | 0 | 0 | 114.5 | Q1199 E1202 A1207 G1208 D1234 Y1235 Y1238 | Q1199-Y1204 HydrophobicContact CG-CD1 4.48Å; Q1199-Y1204 HydrophobicContact CG-CE1 4.28Å; E1202-Y1204 HydrophobicContact CB-CD2 4.42Å; E1202-Y1204 HydrophobicContact CB-CE2 3.73Å; E1202-Y1204 HydrophobicContact CG-CE2 4.2Å; E1202-Y1204 WeakPolarHBondContact O-CD2 3.13Å; E1202-Y1204 PolarHBondContact O-N 3.5Å; Y1204-A1207 PolarHBondContact O-N 2.77Å; Y1204-G1208 PolarHBondContact O-N 3.3Å; Y1204-D1234 HydrophobicContact CD1-CB 4Å; Y1204-D1234 HydrophobicContact CE1-CB 3.34Å; Y1204-Y1235 AromaticContact CD2-CD2 3.89Å; Y1204-Y1235 HydrophobicContact CD2-CD2 3.89Å; Y1204-Y1235 AromaticContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CG 4.37Å; Y1204-Y1238 HydrophobicContact CD2-CD1 4.4Å; Y1204-Y1238 HydrophobicContact CD2-CG 4.28Å; Y1204-Y1238 HydrophobicContact CE2-CD1 4.13Å; Y1204-Y1238 AromaticContact CE2-CD2 3.87Å; Y1204-Y1238 HydrophobicContact CE2-CD2 3.87Å; Y1204-Y1238 AromaticContact CE2-CG 3.61Å; Y1204-Y1238 HydrophobicContact CE2-CG 3.61Å |
| 1205 | T | 84.1 | Confident | 85.2 | Confident | 80 Ų | 80 | 44 Ų | 44 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.2 | 53 | 0 | 0 | 0 | 0 | 112.4 | M1203 Q1209 Y1235 | M1203-T1205 PolarHBondContact O-N 3.37Å; M1203-T1205 VanDerWaalsContact O-N 3.08Å; T1205-Q1209 WeakPolarHBondContact O-CB 3.48Å; T1205-Q1209 WeakPolarHBondContact O-CG 3.24Å; T1205-Q1209 PolarHBondContact O-N 3.37Å; T1205-Q1209 VanDerWaalsContact O-N 3.17Å; T1205-Y1235 HydrophobicContact CG2-CE2 4.12Å |
| 1206 | K | 86.4 | Confident | 85.2 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -74.7 | -42 | 174.8 | -65.5 | 179.5 | -177.9 | 171.4 | 0 | 111.6 | H1198 M1203 Q1209 I1210 | H1198-K1206 HydrophobicContact CB-CB 4.4Å; M1203-K1206 HydrophobicContact CB-CB 4.47Å; M1203-K1206 HydrophobicContact CB-CD 4.47Å; M1203-K1206 PolarHBondContact O-N 3.17Å; M1203-K1206 HydrophobicContact SD-CD 4.2Å; K1206-Q1209 PolarHBondContact O-N 2.82Å; K1206-I1210 WeakPolarHBondContact O-CG1 3.08Å; K1206-I1210 PolarHBondContact O-N 2.91Å |
| 1207 | A | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1195 H1198 Q1199 M1203 Y1204 Q1209 I1210 L1211 C1231 | G1195-A1207 WeakPolarHBondContact O-CB 3.29Å; H1198-A1207 HydrophobicContact CB-CB 3.72Å; Q1199-A1207 HydrophobicContact CB-CB 4.06Å; M1203-A1207 PolarHBondContact O-N 3.24Å; Y1204-A1207 PolarHBondContact O-N 2.77Å; A1207-Q1209 PolarHBondContact O-N 3.3Å; A1207-I1210 PolarHBondContact O-N 2.77Å; A1207-L1211 HydrophobicContact CB-CD1 4.49Å; A1207-L1211 VanDerWaalsContact O-CB 3.31Å; A1207-L1211 WeakPolarHBondContact O-CB 3.42Å; A1207-L1211 WeakPolarHBondContact O-CD1 3.41Å; A1207-L1211 WeakPolarHBondContact O-CG 3.48Å; A1207-L1211 PolarHBondContact O-N 2.9Å; A1207-C1231 VanDerWaalsContact CB-SG 3.51Å |
| 1208 | G | 86.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1204 I1210 H1212 | Y1204-G1208 PolarHBondContact O-N 3.3Å; G1208-I1210 PolarHBondContact O-N 2.94Å; G1208-H1212 WeakPolarHBondContact O-CB 3.16Å; G1208-H1212 PolarHBondContact O-N 3.3Å |
| 1209 | Q | 88.4 | Confident | 84.5 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 175.2 | -77.6 | 169.8 | -6 | 0 | 0 | 112.8 | T1205 K1206 A1207 H1213 | T1205-Q1209 WeakPolarHBondContact O-CB 3.48Å; T1205-Q1209 WeakPolarHBondContact O-CG 3.24Å; T1205-Q1209 PolarHBondContact O-N 3.37Å; T1205-Q1209 VanDerWaalsContact O-N 3.17Å; K1206-Q1209 PolarHBondContact O-N 2.82Å; A1207-Q1209 PolarHBondContact O-N 3.3Å; Q1209-H1213 WeakPolarHBondContact O-CB 3.14Å; Q1209-H1213 PolarHBondContact O-N 3.04Å |
| 1210 | I | 87.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.4 | -41.1 | -177.3 | -66.6 | 169.9 | 0 | 0 | 0 | 111.2 | I1194 K1206 A1207 G1208 H1213 L1214 | I1194-I1210 HydrophobicContact CG2-CD1 3.79Å; K1206-I1210 WeakPolarHBondContact O-CG1 3.08Å; K1206-I1210 PolarHBondContact O-N 2.91Å; A1207-I1210 PolarHBondContact O-N 2.77Å; G1208-I1210 PolarHBondContact O-N 2.94Å; I1210-H1213 PolarHBondContact O-N 3.41Å; I1210-L1214 PolarHBondContact O-N 2.94Å |
| 1211 | L | 89.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 177.6 | -66.1 | 167.5 | 0 | 0 | 0 | 111.7 | A1207 L1214 T1215 A1227 Y1228 C1231 | A1207-L1211 HydrophobicContact CB-CD1 4.49Å; A1207-L1211 VanDerWaalsContact O-CB 3.31Å; A1207-L1211 WeakPolarHBondContact O-CB 3.42Å; A1207-L1211 WeakPolarHBondContact O-CD1 3.41Å; A1207-L1211 WeakPolarHBondContact O-CG 3.48Å; A1207-L1211 PolarHBondContact O-N 2.9Å; L1211-L1214 HydrophobicContact CD2-CD1 4.25Å; L1211-L1214 WeakPolarHBondContact O-CB 3.39Å; L1211-L1214 PolarHBondContact O-N 3.21Å; L1211-T1215 WeakPolarHBondContact O-CG2 3.31Å; L1211-T1215 PolarHBondContact O-N 3.31Å; L1211-T1215 VanDerWaalsContact O-N 3.12Å; L1211-T1215 PolarHBondContact O-OG1 3.42Å; L1211-A1227 HydrophobicContact CD1-CB 4.27Å; L1211-A1227 HydrophobicContact CD2-CB 3.85Å; L1211-Y1228 HydrophobicContact CB-CD2 4.1Å; L1211-Y1228 HydrophobicContact CB-CG 4.4Å; L1211-C1231 HydrophobicContact CD1-CB 3.92Å |
| 1212 | H | 88.8 | Confident | 84.7 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 172.3 | -170.7 | 57.7 | 0 | 0 | 0 | 111.8 | G1208 L1214 T1215 I1216 Y1228 | G1208-H1212 WeakPolarHBondContact O-CB 3.16Å; G1208-H1212 PolarHBondContact O-N 3.3Å; H1212-L1214 VanDerWaalsContact C-N 3.27Å; H1212-L1214 PolarHBondContact O-N 2.83Å; H1212-T1215 WeakPolarHBondContact CA-OG1 3.12Å; H1212-T1215 PolarHBondContact O-N 3.44Å; H1212-T1215 VanDerWaalsContact O-N 3.1Å; H1212-T1215 PolarHBondContact O-OG1 3.33Å; H1212-I1216 WeakPolarHBondContact O-CG1 3.28Å; H1212-I1216 PolarHBondContact O-N 2.92Å; H1212-Y1228 HydrophobicContact CB-CD2 4.24Å; H1212-Y1228 HydrophobicContact CB-CE1 4.42Å; H1212-Y1228 HydrophobicContact CB-CE2 3.81Å; H1212-Y1228 AromaticContact CG-CZ 3.98Å; H1212-Y1228 AromaticContact ND1-CE1 3.58Å; H1212-Y1228 AromaticContact ND1-CZ 3.61Å |
| 1213 | H | 87.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 175.3 | -167.9 | -76.3 | 0 | 0 | 0 | 112.2 | Q1209 I1210 I1216 Q1217 | Q1209-H1213 WeakPolarHBondContact O-CB 3.14Å; Q1209-H1213 PolarHBondContact O-N 3.04Å; I1210-H1213 PolarHBondContact O-N 3.41Å; H1213-I1216 PolarHBondContact O-N 3.03Å; H1213-Q1217 PolarHBondContact CE1-OE1 3.41Å; H1213-Q1217 VanDerWaalsContact ND1-CD 3.31Å; H1213-Q1217 PolarHBondContact ND1-OE1 3.13Å; H1213-Q1217 WeakPolarHBondContact O-CG 3.29Å; H1213-Q1217 PolarHBondContact O-N 2.81Å |
| 1214 | L | 86.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 171.9 | -85.5 | 162.6 | 0 | 0 | 0 | 113.1 | I1188 M1191 I1210 L1211 H1212 I1216 Q1217 Q1218 | I1188-L1214 HydrophobicContact CG2-CD2 4.17Å; M1191-L1214 HydrophobicContact CB-CD1 3.93Å; M1191-L1214 HydrophobicContact CB-CD2 3.8Å; M1191-L1214 HydrophobicContact CB-CG 3.97Å; M1191-L1214 HydrophobicContact CE-CD2 4.37Å; M1191-L1214 HydrophobicContact CE-CG 4.18Å; I1210-L1214 PolarHBondContact O-N 2.94Å; L1211-L1214 HydrophobicContact CD2-CD1 4.25Å; L1211-L1214 WeakPolarHBondContact O-CB 3.39Å; L1211-L1214 PolarHBondContact O-N 3.21Å; H1212-L1214 VanDerWaalsContact C-N 3.27Å; H1212-L1214 PolarHBondContact O-N 2.83Å; L1214-I1216 PolarHBondContact O-N 2.77Å; L1214-Q1217 PolarHBondContact O-N 2.76Å; L1214-Q1218 PolarHBondContact O-N 2.91Å |
| 1215 | T | 84.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -29.6 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | L1211 H1212 Q1218 H1225 | L1211-T1215 WeakPolarHBondContact O-CG2 3.31Å; L1211-T1215 PolarHBondContact O-N 3.31Å; L1211-T1215 VanDerWaalsContact O-N 3.12Å; L1211-T1215 PolarHBondContact O-OG1 3.42Å; H1212-T1215 WeakPolarHBondContact CA-OG1 3.12Å; H1212-T1215 PolarHBondContact O-N 3.44Å; H1212-T1215 VanDerWaalsContact O-N 3.1Å; H1212-T1215 PolarHBondContact O-OG1 3.33Å; T1215-Q1218 CarbonylContact O-C 3.54Å; T1215-H1225 HydrophobicContact CG2-CB 4.3Å; T1215-H1225 WeakPolarHBondContact CG2-ND1 3.43Å |
| 1216 | I | 85.7 | Confident | 85.2 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 59% | 0.59 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72 | -47.5 | 172.6 | -67.3 | 165.5 | 0 | 0 | 0 | 111.2 | H1212 H1213 L1214 Q1218 | H1212-I1216 WeakPolarHBondContact O-CG1 3.28Å; H1212-I1216 PolarHBondContact O-N 2.92Å; H1213-I1216 PolarHBondContact O-N 3.03Å; L1214-I1216 PolarHBondContact O-N 2.77Å; I1216-Q1218 VanDerWaalsContact C-N 3.32Å; I1216-Q1218 PolarHBondContact O-N 3.23Å |
| 1217 | Q | 81.4 | Confident | 85.1 | Confident | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.8 | -33.3 | -180 | -74.7 | -176.8 | -67.2 | 0 | 0 | 112.9 | H1213 L1214 | H1213-Q1217 PolarHBondContact CE1-OE1 3.41Å; H1213-Q1217 VanDerWaalsContact ND1-CD 3.31Å; H1213-Q1217 PolarHBondContact ND1-OE1 3.13Å; H1213-Q1217 WeakPolarHBondContact O-CG 3.29Å; H1213-Q1217 PolarHBondContact O-N 2.81Å; L1214-Q1217 PolarHBondContact O-N 2.76Å |
| 1218 | Q | 79.5 | Confident | 85.2 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | trans | -140 | 81 | -173.3 | -73.7 | -69.8 | -13.4 | 0 | 0 | 110.7 | I1188 L1214 T1215 I1216 N1220 F1221 | I1188-Q1218 HydrophobicContact CD1-CB 4.49Å; I1188-Q1218 HydrophobicContact CD1-CG 3.53Å; I1188-Q1218 HydrophobicContact CG1-CG 3.86Å; L1214-Q1218 PolarHBondContact O-N 2.91Å; T1215-Q1218 CarbonylContact O-C 3.54Å; I1216-Q1218 VanDerWaalsContact C-N 3.32Å; I1216-Q1218 PolarHBondContact O-N 3.23Å; Q1218-N1220 PolarHBondContact O-N 2.92Å; Q1218-N1220 VanDerWaalsContact O-N 3.11Å; Q1218-F1221 HydrophobicContact CB-CB 3.94Å; Q1218-F1221 WeakPolarHBondContact O-CB 3.44Å; Q1218-F1221 PolarHBondContact O-N 3.44Å | ||
| 1219 | P | 80.7 | Confident | 85.3 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.5 | 178.8 | 23.2 | -34.1 | 0 | 0 | 0 | 112.4 | F1221 H1225 | P1219-F1221 VanDerWaalsContact C-N 3.26Å; P1219-F1221 PolarHBondContact O-N 2.6Å; P1219-H1225 PolarHBondContact O-NE2 3.37Å |
| 1220 | N | 80.9 | Confident | 85.2 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 65% | 0.652 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10 | 177.3 | -65.8 | -9.8 | 0 | 0 | 0 | 114.3 | Q1218 L1222 M1264 | Q1218-N1220 PolarHBondContact O-N 2.92Å; Q1218-N1220 VanDerWaalsContact O-N 3.11Å; N1220-L1222 PolarHBondContact O-N 3.49Å; N1220-M1264 HydrophobicContact CB-CE 4.45Å |
| 1221 | F | 83.6 | Confident | 85.2 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | trans | -85.2 | 75.5 | -175.7 | -173.8 | -119.2 | 0 | 0 | 0 | 112.1 | I1188 Y1192 Q1218 P1219 K1223 G1224 | I1188-F1221 HydrophobicContact CG2-CB 4.41Å; I1188-F1221 HydrophobicContact CG2-CD1 3.72Å; I1188-F1221 HydrophobicContact CG2-CD2 3.73Å; I1188-F1221 HydrophobicContact CG2-CE1 3.82Å; I1188-F1221 HydrophobicContact CG2-CE2 3.83Å; I1188-F1221 HydrophobicContact CG2-CG 3.68Å; I1188-F1221 HydrophobicContact CG2-CZ 3.88Å; Y1192-F1221 AromaticContact CD2-CE1 3.67Å; Y1192-F1221 HydrophobicContact CD2-CE1 3.67Å; Y1192-F1221 AromaticContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CE2-CE1 4.39Å; Y1192-F1221 HydrophobicContact CE2-CZ 4.46Å; Y1192-F1221 AromaticContact CG-CE1 3.96Å; Y1192-F1221 HydrophobicContact CG-CE1 3.96Å; Y1192-F1221 AromaticContact CG-CZ 3.96Å; Y1192-F1221 HydrophobicContact CG-CZ 3.96Å; Q1218-F1221 HydrophobicContact CB-CB 3.94Å; Q1218-F1221 WeakPolarHBondContact O-CB 3.44Å; Q1218-F1221 PolarHBondContact O-N 3.44Å; P1219-F1221 VanDerWaalsContact C-N 3.26Å; P1219-F1221 PolarHBondContact O-N 2.6Å; F1221-K1223 VanDerWaalsContact C-N 3.26Å; F1221-K1223 HydrophobicContact CE1-CB 4.34Å; F1221-K1223 HydrophobicContact CE2-CB 4.23Å; F1221-K1223 HydrophobicContact CZ-CB 3.96Å; F1221-K1223 PolarHBondContact O-N 3.16Å; F1221-K1223 VanDerWaalsContact O-N 3.08Å; F1221-G1224 WeakPolarHBondContact O-CA 3.42Å; F1221-G1224 PolarHBondContact O-N 3.06Å | ||
| 1222 | L | 84.4 | Confident | 85 | Confident | 33 Ų | 33 | 45 Ų | 45 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -41 | -44.6 | 179.7 | 177.9 | 60 | 0 | 0 | 0 | 114.9 | N1220 G1224 H1225 I1226 A1261 M1264 D1265 N1268 | N1220-L1222 PolarHBondContact O-N 3.49Å; L1222-G1224 VanDerWaalsContact C-N 3.29Å; L1222-G1224 PolarHBondContact O-N 3.29Å; L1222-H1225 PolarHBondContact O-N 3.12Å; L1222-I1226 HydrophobicContact CD1-CD1 4.07Å; L1222-I1226 HydrophobicContact CG-CD1 4.11Å; L1222-I1226 PolarHBondContact O-N 3.48Å; L1222-A1261 HydrophobicContact CD1-CB 3.83Å; L1222-A1261 VanDerWaalsContact CD1-O 3.27Å; L1222-A1261 WeakPolarHBondContact CD1-O 3.48Å; L1222-M1264 HydrophobicContact CD1-CB 4.35Å; L1222-D1265 HydrophobicContact CD1-CB 4.44Å; L1222-D1265 HydrophobicContact CD2-CB 3.51Å; L1222-N1268 WeakPolarHBondContact CD2-ND2 2.91Å |
| 1223 | K | 82 | Confident | 84.6 | Confident | 110 Ų | 110 | 41.7 Ų | 41.7 | 48% | 0.478 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.2 | -29.9 | 179.1 | -67.8 | -169.2 | 176.8 | -172 | 0 | 113.3 | Y1192 F1221 A1227 | Y1192-K1223 HydrophobicContact CE2-CB 3.92Å; Y1192-K1223 WeakPolarHBondContact CE2-O 3.38Å; F1221-K1223 VanDerWaalsContact C-N 3.26Å; F1221-K1223 HydrophobicContact CE1-CB 4.34Å; F1221-K1223 HydrophobicContact CE2-CB 4.23Å; F1221-K1223 HydrophobicContact CZ-CB 3.96Å; F1221-K1223 PolarHBondContact O-N 3.16Å; F1221-K1223 VanDerWaalsContact O-N 3.08Å; K1223-A1227 WeakPolarHBondContact O-CB 3.19Å; K1223-A1227 PolarHBondContact O-N 2.69Å |
| 1224 | G | 84.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1221 L1222 A1227 Y1228 | F1221-G1224 WeakPolarHBondContact O-CA 3.42Å; F1221-G1224 PolarHBondContact O-N 3.06Å; L1222-G1224 VanDerWaalsContact C-N 3.29Å; L1222-G1224 PolarHBondContact O-N 3.29Å; G1224-A1227 PolarHBondContact O-N 3.06Å; G1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; G1224-Y1228 PolarHBondContact O-N 2.69Å |
| 1225 | H | 87.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 6% | 0.06 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 175.2 | -64.5 | -79.1 | 0 | 0 | 0 | 111.7 | T1215 P1219 L1222 A1227 Y1228 A1229 V1257 F1260 A1261 | T1215-H1225 HydrophobicContact CG2-CB 4.3Å; T1215-H1225 WeakPolarHBondContact CG2-ND1 3.43Å; P1219-H1225 PolarHBondContact O-NE2 3.37Å; L1222-H1225 PolarHBondContact O-N 3.12Å; H1225-A1227 PolarHBondContact O-N 2.61Å; H1225-Y1228 PolarHBondContact O-N 3.07Å; H1225-A1229 WeakPolarHBondContact O-CB 3.29Å; H1225-A1229 PolarHBondContact O-N 3.45Å; H1225-V1257 HydrophobicContact CB-CG1 3.85Å; H1225-V1257 WeakPolarHBondContact O-CG1 3.37Å; H1225-F1260 AromaticContact CE1-CD1 3.46Å; H1225-F1260 VanDerWaalsContact CE1-CD1 3.46Å; H1225-F1260 WeakPolarHBondContact CE1-CD1 3.29Å; H1225-F1260 AromaticContact CE1-CE1 3.43Å; H1225-F1260 VanDerWaalsContact CE1-CE1 3.43Å; H1225-F1260 WeakPolarHBondContact CE1-CE1 3.38Å; H1225-F1260 AromaticContact ND1-CD1 3.7Å; H1225-F1260 AromaticContact NE2-CD1 3.72Å; H1225-F1260 AromaticContact NE2-CE1 3.41Å; H1225-F1260 WeakPolarHBondContact NE2-CE1 3.5Å; H1225-A1261 HydrophobicContact CB-CB 4.26Å |
| 1226 | I | 87 | Confident | 82.7 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 179 | -64.6 | 166.1 | 0 | 0 | 0 | 111.1 | L1222 A1229 N1230 A1261 N1268 E1270 A1271 | L1222-I1226 HydrophobicContact CD1-CD1 4.07Å; L1222-I1226 HydrophobicContact CG-CD1 4.11Å; L1222-I1226 PolarHBondContact O-N 3.48Å; I1226-A1229 PolarHBondContact O-N 3.39Å; I1226-N1230 WeakPolarHBondContact O-CB 3.48Å; I1226-N1230 PolarHBondContact O-N 3.26Å; I1226-N1230 PolarHBondContact O-ND2 2.85Å; I1226-N1230 PolarHBondContact O-OD1 2.76Å; I1226-A1261 HydrophobicContact CG1-CB 4.05Å; I1226-N1268 WeakPolarHBondContact CD1-ND2 3.27Å; I1226-E1270 HydrophobicContact CG2-CG 3.94Å; I1226-A1271 HydrophobicContact CD1-CB 4.07Å; I1226-A1271 HydrophobicContact CG1-CB 4.14Å |
| 1227 | A | 83.8 | Confident | 81.4 | Confident | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1192 L1211 K1223 G1224 H1225 C1231 | Y1192-A1227 HydrophobicContact CD2-CB 4.3Å; Y1192-A1227 HydrophobicContact CE2-CB 3.78Å; L1211-A1227 HydrophobicContact CD1-CB 4.27Å; L1211-A1227 HydrophobicContact CD2-CB 3.85Å; K1223-A1227 WeakPolarHBondContact O-CB 3.19Å; K1223-A1227 PolarHBondContact O-N 2.69Å; G1224-A1227 PolarHBondContact O-N 3.06Å; H1225-A1227 PolarHBondContact O-N 2.61Å; A1227-C1231 WeakPolarHBondContact O-CB 3.37Å; A1227-C1231 PolarHBondContact O-N 3.46Å |
| 1228 | Y | 89.8 | Confident | 80.2 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 175.2 | -179.8 | -133.5 | 0 | 0 | 0 | 111.3 | L1211 H1212 G1224 H1225 C1231 L1232 V1257 | L1211-Y1228 HydrophobicContact CB-CD2 4.1Å; L1211-Y1228 HydrophobicContact CB-CG 4.4Å; H1212-Y1228 HydrophobicContact CB-CD2 4.24Å; H1212-Y1228 HydrophobicContact CB-CE1 4.42Å; H1212-Y1228 HydrophobicContact CB-CE2 3.81Å; H1212-Y1228 AromaticContact CG-CZ 3.98Å; H1212-Y1228 AromaticContact ND1-CE1 3.58Å; H1212-Y1228 AromaticContact ND1-CZ 3.61Å; G1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; G1224-Y1228 PolarHBondContact O-N 2.69Å; H1225-Y1228 PolarHBondContact O-N 3.07Å; Y1228-C1231 WeakPolarHBondContact O-CB 3.18Å; Y1228-C1231 PolarHBondContact O-N 3.47Å; Y1228-C1231 VanDerWaalsContact O-N 3.15Å; Y1228-L1232 HydrophobicContact CD2-CG 4.49Å; Y1228-L1232 HydrophobicContact CE1-CD1 4.13Å; Y1228-L1232 HydrophobicContact CE2-CD1 4.25Å; Y1228-L1232 HydrophobicContact CE2-CD2 4.07Å; Y1228-L1232 HydrophobicContact CE2-CG 4.17Å; Y1228-L1232 WeakPolarHBondContact O-CG 3.14Å; Y1228-L1232 PolarHBondContact O-N 3.31Å; Y1228-V1257 HydrophobicContact CD1-CG1 4.04Å; Y1228-V1257 HydrophobicContact CD1-CG2 3.82Å; Y1228-V1257 HydrophobicContact CE1-CG2 3.84Å |
| 1229 | A | 88 | Confident | 79.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1225 I1226 C1231 L1232 M1233 V1257 Y1258 | H1225-A1229 WeakPolarHBondContact O-CB 3.29Å; H1225-A1229 PolarHBondContact O-N 3.45Å; I1226-A1229 PolarHBondContact O-N 3.39Å; A1229-C1231 VanDerWaalsContact C-N 3.28Å; A1229-C1231 PolarHBondContact O-N 2.92Å; A1229-L1232 WeakPolarHBondContact O-CB 3.44Å; A1229-L1232 PolarHBondContact O-N 3.27Å; A1229-L1232 VanDerWaalsContact O-N 3.1Å; A1229-M1233 PolarHBondContact O-N 2.71Å; A1229-V1257 HydrophobicContact CB-CB 4.01Å; A1229-V1257 HydrophobicContact CB-CG1 3.85Å; A1229-Y1258 HydrophobicContact CB-CD1 3.93Å; A1229-Y1258 HydrophobicContact CB-CD2 3.88Å; A1229-Y1258 HydrophobicContact CB-CE1 3.57Å; A1229-Y1258 HydrophobicContact CB-CE2 3.51Å; A1229-Y1258 HydrophobicContact CB-CG 4.06Å |
| 1230 | N | 86.2 | Confident | 78 | Confident | 33 Ų | 33 | 33.6 Ų | 33.6 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | 172 | -69.8 | -17.4 | 0 | 0 | 0 | 111.1 | I1226 L1232 M1233 D1234 Y1258 | I1226-N1230 WeakPolarHBondContact O-CB 3.48Å; I1226-N1230 PolarHBondContact O-N 3.26Å; I1226-N1230 PolarHBondContact O-ND2 2.85Å; I1226-N1230 PolarHBondContact O-OD1 2.76Å; N1230-L1232 VanDerWaalsContact C-N 3.3Å; N1230-L1232 PolarHBondContact O-N 3.3Å; N1230-M1233 PolarHBondContact O-N 3.44Å; N1230-D1234 PolarHBondContact O-N 3.11Å; N1230-Y1258 PolarHBondContact N-OH 3.22Å; N1230-Y1258 PolarHBondContact OD1-OH 2.79Å |
| 1231 | C | 86.7 | Confident | 76.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -29.6 | 178.3 | -173.8 | 0 | 0 | 0 | 0 | 113.2 | Q1199 A1207 L1211 A1227 Y1228 A1229 Y1235 | Q1199-C1231 HydrophobicContact CG-CB 4.45Å; A1207-C1231 VanDerWaalsContact CB-SG 3.51Å; L1211-C1231 HydrophobicContact CD1-CB 3.92Å; A1227-C1231 WeakPolarHBondContact O-CB 3.37Å; A1227-C1231 PolarHBondContact O-N 3.46Å; Y1228-C1231 WeakPolarHBondContact O-CB 3.18Å; Y1228-C1231 PolarHBondContact O-N 3.47Å; Y1228-C1231 VanDerWaalsContact O-N 3.15Å; A1229-C1231 VanDerWaalsContact C-N 3.28Å; A1229-C1231 PolarHBondContact O-N 2.92Å; C1231-Y1235 WeakPolarHBondContact O-CB 3.27Å; C1231-Y1235 PolarHBondContact O-N 3.28Å; C1231-Y1235 VanDerWaalsContact O-N 3.11Å |
| 1232 | L | 85 | Confident | 75 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -42.2 | 173.1 | -64.5 | 173 | 0 | 0 | 0 | 111.3 | Y1228 A1229 N1230 Y1235 E1236 L1250 Q1253 A1254 | Y1228-L1232 HydrophobicContact CD2-CG 4.49Å; Y1228-L1232 HydrophobicContact CE1-CD1 4.13Å; Y1228-L1232 HydrophobicContact CE2-CD1 4.25Å; Y1228-L1232 HydrophobicContact CE2-CD2 4.07Å; Y1228-L1232 HydrophobicContact CE2-CG 4.17Å; Y1228-L1232 WeakPolarHBondContact O-CG 3.14Å; Y1228-L1232 PolarHBondContact O-N 3.31Å; A1229-L1232 WeakPolarHBondContact O-CB 3.44Å; A1229-L1232 PolarHBondContact O-N 3.27Å; A1229-L1232 VanDerWaalsContact O-N 3.1Å; N1230-L1232 VanDerWaalsContact C-N 3.3Å; N1230-L1232 PolarHBondContact O-N 3.3Å; L1232-Y1235 PolarHBondContact O-N 2.83Å; L1232-E1236 PolarHBondContact O-N 3.41Å; L1232-L1250 HydrophobicContact CD2-CD2 3.73Å; L1232-Q1253 HydrophobicContact CD1-CB 3.86Å; L1232-A1254 HydrophobicContact CB-CB 4.01Å; L1232-A1254 HydrophobicContact CD1-CB 4.36Å |
| 1233 | M | 81.2 | Confident | 73.7 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.054 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 175 | -59.7 | -165.8 | -46 | 0 | 0 | 112.7 | A1229 N1230 E1236 G1237 W1251 A1254 Y1258 C1278 | A1229-M1233 PolarHBondContact O-N 2.71Å; N1230-M1233 PolarHBondContact O-N 3.44Å; M1233-E1236 WeakPolarHBondContact O-CB 3.43Å; M1233-E1236 PolarHBondContact O-N 3.44Å; M1233-G1237 PolarHBondContact O-N 3.25Å; M1233-G1237 VanDerWaalsContact O-N 3.08Å; M1233-W1251 HydrophobicContact CB-CH2 3.9Å; M1233-W1251 HydrophobicContact CB-CZ3 4.12Å; M1233-W1251 HydrophobicContact CG-CE3 4.23Å; M1233-W1251 HydrophobicContact CG-CH2 3.89Å; M1233-W1251 HydrophobicContact CG-CZ3 3.57Å; M1233-W1251 HydrophobicContact SD-CH2 4.06Å; M1233-W1251 HydrophobicContact SD-CZ3 3.58Å; M1233-W1251 VanDerWaalsContact SD-CZ3 3.58Å; M1233-A1254 HydrophobicContact CG-CB 4.05Å; M1233-Y1258 HydrophobicContact CE-CE2 4.41Å; M1233-Y1258 WeakPolarHBondContact CE-OH 3.38Å; M1233-Y1258 HydrophobicContact CG-CE2 4.41Å; M1233-Y1258 HydrophobicContact SD-CE2 3.81Å; M1233-C1278 VanDerWaalsContact SD-SG 3.68Å |
| 1234 | D | 76.2 | Confident | 72.8 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -37.8 | 178.2 | -68.5 | -20.5 | 0 | 0 | 0 | 111.9 | Q1199 Y1204 N1230 E1236 G1237 Y1238 | Q1199-D1234 PolarHBondContact NE2-OD2 2.92Å; Y1204-D1234 HydrophobicContact CD1-CB 4Å; Y1204-D1234 HydrophobicContact CE1-CB 3.34Å; N1230-D1234 PolarHBondContact O-N 3.11Å; D1234-E1236 PolarHBondContact O-N 3.27Å; D1234-G1237 PolarHBondContact O-N 3.44Å; D1234-Y1238 WeakPolarHBondContact O-CB 3.38Å; D1234-Y1238 PolarHBondContact O-N 3.46Å |
| 1235 | Y | 74.9 | Confident | 72 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -37.6 | 176 | -173.4 | -136.7 | 0 | 0 | 0 | 111.6 | Y1204 T1205 C1231 L1232 Y1238 N1239 L1250 | Y1204-Y1235 AromaticContact CD2-CD2 3.89Å; Y1204-Y1235 HydrophobicContact CD2-CD2 3.89Å; Y1204-Y1235 AromaticContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CG 4.37Å; T1205-Y1235 HydrophobicContact CG2-CE2 4.12Å; C1231-Y1235 WeakPolarHBondContact O-CB 3.27Å; C1231-Y1235 PolarHBondContact O-N 3.28Å; C1231-Y1235 VanDerWaalsContact O-N 3.11Å; L1232-Y1235 PolarHBondContact O-N 2.83Å; Y1235-Y1238 PolarHBondContact O-N 3.08Å; Y1235-N1239 WeakPolarHBondContact CD2-ND2 2.94Å; Y1235-N1239 WeakPolarHBondContact CE2-ND2 2.98Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.36Å; Y1235-N1239 PolarHBondContact O-N 2.93Å; Y1235-N1239 VanDerWaalsContact O-N 3.07Å; Y1235-L1250 HydrophobicContact CD1-CD1 3.57Å; Y1235-L1250 HydrophobicContact CD1-CD2 4.15Å; Y1235-L1250 HydrophobicContact CE1-CD1 3.83Å |
| 1236 | E | 66.2 | Low | 71.1 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -52.1 | 174.5 | -86.5 | -63.6 | 118.3 | 0 | 0 | 113 | L1232 M1233 D1234 Y1238 N1239 S1247 L1250 W1251 | L1232-E1236 PolarHBondContact O-N 3.41Å; M1233-E1236 WeakPolarHBondContact O-CB 3.43Å; M1233-E1236 PolarHBondContact O-N 3.44Å; D1234-E1236 PolarHBondContact O-N 3.27Å; E1236-Y1238 PolarHBondContact O-N 3.03Å; E1236-Y1238 VanDerWaalsContact O-N 3.1Å; E1236-N1239 PolarHBondContact O-N 2.99Å; E1236-N1239 VanDerWaalsContact O-N 3.1Å; E1236-S1247 WeakPolarHBondContact OE1-CA 3.42Å; E1236-S1247 WeakPolarHBondContact OE2-CA 3.38Å; E1236-S1247 WeakPolarHBondContact OE2-CB 3.42Å; E1236-L1250 HydrophobicContact CG-CB 3.56Å; E1236-L1250 HydrophobicContact CG-CD1 4.17Å; E1236-L1250 WeakPolarHBondContact OE1-CD1 3.4Å; E1236-W1251 HydrophobicContact CB-CZ2 4.16Å; E1236-W1251 PolarHBondContact OE2-NE1 2.96Å |
| 1237 | G | 60 | Low | 70.2 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.9 | -27.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1233 D1234 | M1233-G1237 PolarHBondContact O-N 3.25Å; M1233-G1237 VanDerWaalsContact O-N 3.08Å; D1234-G1237 PolarHBondContact O-N 3.44Å |
| 1238 | Y | 56.4 | Low | 69.8 | Low | 63 Ų | 63 | 51.7 Ų | 51.7 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -82.4 | -33.6 | 176.6 | -167.6 | -94.9 | 0 | 0 | 0 | 113.9 | Q146 N148 E1202 Y1204 D1234 Y1235 E1236 | Q146-Y1238 PolarHBondContact NE2-OH 3.05Å; N148-Y1238 PolarHBondContact ND2-O 2.72Å; E1202-Y1238 HydrophobicContact CB-CD2 4.49Å; E1202-Y1238 HydrophobicContact CB-CE2 4.07Å; E1202-Y1238 HydrophobicContact CG-CD2 4.42Å; E1202-Y1238 HydrophobicContact CG-CE2 4.12Å; Y1204-Y1238 HydrophobicContact CD2-CD1 4.4Å; Y1204-Y1238 HydrophobicContact CD2-CG 4.28Å; Y1204-Y1238 HydrophobicContact CE2-CD1 4.13Å; Y1204-Y1238 AromaticContact CE2-CD2 3.87Å; Y1204-Y1238 HydrophobicContact CE2-CD2 3.87Å; Y1204-Y1238 AromaticContact CE2-CG 3.61Å; Y1204-Y1238 HydrophobicContact CE2-CG 3.61Å; D1234-Y1238 WeakPolarHBondContact O-CB 3.38Å; D1234-Y1238 PolarHBondContact O-N 3.46Å; Y1235-Y1238 PolarHBondContact O-N 3.08Å; E1236-Y1238 PolarHBondContact O-N 3.03Å; E1236-Y1238 VanDerWaalsContact O-N 3.1Å |
| 1239 | N | 57.5 | Low | 69.4 | Low | 33 Ų | 33 | 57 Ų | 57 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -119.3 | 46.3 | -165.1 | -85.4 | -41.8 | 0 | 0 | 0 | 116.1 | Y1235 E1236 K1241 M1242 | Y1235-N1239 WeakPolarHBondContact CD2-ND2 2.94Å; Y1235-N1239 WeakPolarHBondContact CE2-ND2 2.98Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.36Å; Y1235-N1239 PolarHBondContact O-N 2.93Å; Y1235-N1239 VanDerWaalsContact O-N 3.07Å; E1236-N1239 PolarHBondContact O-N 2.99Å; E1236-N1239 VanDerWaalsContact O-N 3.1Å; N1239-K1241 PolarHBondContact O-N 2.81Å; N1239-M1242 HydrophobicContact CB-CG 4.08Å; N1239-M1242 PolarHBondContact O-N 3.37Å | ||
| 1240 | I | 55 | Low | 69.1 | Low | 59 Ų | 59 | 57.7 Ų | 57.7 | 30% | 0.303 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -57.7 | -13.5 | 174.8 | -58.1 | 134.4 | 0 | 0 | 0 | 113.3 | Y149 P150 M1242 | Y149-I1240 VanDerWaalsContact O-CD1 3.3Å; Y149-I1240 WeakPolarHBondContact O-CD1 3.34Å; P150-I1240 HydrophobicContact CG-CG2 4.25Å; P150-I1240 WeakPolarHBondContact O-CD1 3.44Å; I1240-M1242 VanDerWaalsContact C-N 3.27Å; I1240-M1242 PolarHBondContact O-N 3.11Å |
| 1241 | K | 50.2 | Low | 69 | Low | 142 Ų | 142 | 58 Ų | 58 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -63.9 | -18.7 | 168.4 | -74.7 | 171.6 | 171.1 | 157.7 | 0 | 115.5 | N148 N1239 G1243 | N148-K1241 WeakPolarHBondContact OD1-CE 3.44Å; N148-K1241 PolarHBondContact OD1-NZ 2.77Å; N1239-K1241 PolarHBondContact O-N 2.81Å; K1241-G1243 VanDerWaalsContact C-N 3.27Å; K1241-G1243 PolarHBondContact O-N 3.02Å |
| 1242 | M | 51.8 | Low | 69 | Low | 97 Ų | 97 | 61.2 Ų | 61.2 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -81.1 | -2.9 | -174.3 | -68.6 | -64.5 | -135.2 | 0 | 0 | 114.4 | N1239 I1240 H1246 | N1239-M1242 HydrophobicContact CB-CG 4.08Å; N1239-M1242 PolarHBondContact O-N 3.37Å; I1240-M1242 VanDerWaalsContact C-N 3.27Å; I1240-M1242 PolarHBondContact O-N 3.11Å; M1242-H1246 HydrophobicContact CB-CB 3.77Å; M1242-H1246 WeakPolarHBondContact O-CB 3.23Å |
| 1243 | G | 57 | Low | 69.2 | Low | 40 Ų | 40 | 64.9 Ų | 64.9 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | 78.6 | 156.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1241 N1245 H1246 S1247 | K1241-G1243 VanDerWaalsContact C-N 3.27Å; K1241-G1243 PolarHBondContact O-N 3.02Å; G1243-N1245 PolarHBondContact O-N 3.07Å; G1243-N1245 VanDerWaalsContact O-N 3.11Å; G1243-H1246 PolarHBondContact O-N 3.12Å; G1243-S1247 PolarHBondContact O-N 2.99Å | ||
| 1244 | I | 63.4 | Low | 69.5 | Low | 105 Ų | 105 | 64.4 Ų | 64.4 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -29.5 | -167.8 | -51.5 | 176.9 | 0 | 0 | 0 | 112.4 | S1247 M1248 | I1244-S1247 VanDerWaalsContact CA-OG 3.31Å; I1244-S1247 WeakPolarHBondContact CA-OG 3.3Å; I1244-S1247 PolarHBondContact O-N 3.34Å; I1244-S1247 PolarHBondContact O-OG 3.26Å; I1244-M1248 HydrophobicContact CG2-CE 3.68Å; I1244-M1248 HydrophobicContact CG2-CG 4.47Å; I1244-M1248 WeakPolarHBondContact O-CG 3.06Å; I1244-M1248 PolarHBondContact O-N 2.65Å; I1244-M1248 VanDerWaalsContact O-N 3.1Å |
| 1245 | N | 68 | Low | 70.2 | Confident | 130 Ų | 130 | 63.3 Ų | 63.3 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.3 | -16.4 | 178.2 | -70.8 | -24.1 | 0 | 0 | 0 | 114.3 | G1243 K1249 | G1243-N1245 PolarHBondContact O-N 3.07Å; G1243-N1245 VanDerWaalsContact O-N 3.11Å; N1245-K1249 WeakPolarHBondContact O-CD 3.28Å; N1245-K1249 WeakPolarHBondContact O-CE 3.33Å; N1245-K1249 WeakPolarHBondContact O-CG 3.41Å |
| 1246 | H | 68.6 | Low | 70.9 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 32% | 0.324 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -84.9 | -42.4 | 167.1 | -159.8 | 81.1 | 0 | 0 | 0 | 109.7 | M1242 G1243 M1248 K1249 L1250 | M1242-H1246 HydrophobicContact CB-CB 3.77Å; M1242-H1246 WeakPolarHBondContact O-CB 3.23Å; G1243-H1246 PolarHBondContact O-N 3.12Å; H1246-M1248 PolarHBondContact O-N 2.99Å; H1246-K1249 WeakPolarHBondContact O-CB 3.19Å; H1246-K1249 PolarHBondContact O-N 3.39Å; H1246-L1250 VanDerWaalsContact CD2-CD1 3.46Å; H1246-L1250 WeakPolarHBondContact CD2-CD1 3.33Å; H1246-L1250 PolarHBondContact O-N 2.9Å |
| 1247 | S | 68.5 | Low | 72.1 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -50.7 | -177.4 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | E1236 G1243 I1244 K1249 L1250 W1251 | E1236-S1247 WeakPolarHBondContact OE1-CA 3.42Å; E1236-S1247 WeakPolarHBondContact OE2-CA 3.38Å; E1236-S1247 WeakPolarHBondContact OE2-CB 3.42Å; G1243-S1247 PolarHBondContact O-N 2.99Å; I1244-S1247 VanDerWaalsContact CA-OG 3.31Å; I1244-S1247 WeakPolarHBondContact CA-OG 3.3Å; I1244-S1247 PolarHBondContact O-N 3.34Å; I1244-S1247 PolarHBondContact O-OG 3.26Å; S1247-K1249 PolarHBondContact O-N 2.8Å; S1247-L1250 PolarHBondContact O-N 3.48Å; S1247-L1250 VanDerWaalsContact O-N 3.12Å; S1247-W1251 VanDerWaalsContact O-CD1 3.23Å; S1247-W1251 PolarHBondContact O-N 2.88Å |
| 1248 | M | 74.3 | Confident | 73.6 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.3 | -29.2 | 176.7 | -67.3 | -160.1 | -153.3 | 0 | 0 | 113 | I1244 H1246 N1252 | I1244-M1248 HydrophobicContact CG2-CE 3.68Å; I1244-M1248 HydrophobicContact CG2-CG 4.47Å; I1244-M1248 WeakPolarHBondContact O-CG 3.06Å; I1244-M1248 PolarHBondContact O-N 2.65Å; I1244-M1248 VanDerWaalsContact O-N 3.1Å; H1246-M1248 PolarHBondContact O-N 2.99Å; M1248-N1252 WeakPolarHBondContact O-CB 3.31Å; M1248-N1252 PolarHBondContact O-N 2.95Å; M1248-N1252 PolarHBondContact O-ND2 2.87Å |
| 1249 | K | 81.6 | Confident | 75.2 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.9 | -44.5 | 178.6 | -68 | 176.6 | -177.5 | 179.1 | 0 | 111.7 | N1245 H1246 S1247 N1252 Q1253 | N1245-K1249 WeakPolarHBondContact O-CD 3.28Å; N1245-K1249 WeakPolarHBondContact O-CE 3.33Å; N1245-K1249 WeakPolarHBondContact O-CG 3.41Å; H1246-K1249 WeakPolarHBondContact O-CB 3.19Å; H1246-K1249 PolarHBondContact O-N 3.39Å; S1247-K1249 PolarHBondContact O-N 2.8Å; K1249-N1252 PolarHBondContact O-N 3.39Å; K1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; K1249-Q1253 PolarHBondContact O-N 3.44Å |
| 1250 | L | 83 | Confident | 76.7 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | -179.8 | -73.4 | 161 | 0 | 0 | 0 | 111.7 | L1232 Y1235 E1236 H1246 S1247 Q1253 A1254 | L1232-L1250 HydrophobicContact CD2-CD2 3.73Å; Y1235-L1250 HydrophobicContact CD1-CD1 3.57Å; Y1235-L1250 HydrophobicContact CD1-CD2 4.15Å; Y1235-L1250 HydrophobicContact CE1-CD1 3.83Å; E1236-L1250 HydrophobicContact CG-CB 3.56Å; E1236-L1250 HydrophobicContact CG-CD1 4.17Å; E1236-L1250 WeakPolarHBondContact OE1-CD1 3.4Å; H1246-L1250 VanDerWaalsContact CD2-CD1 3.46Å; H1246-L1250 WeakPolarHBondContact CD2-CD1 3.33Å; H1246-L1250 PolarHBondContact O-N 2.9Å; S1247-L1250 PolarHBondContact O-N 3.48Å; S1247-L1250 VanDerWaalsContact O-N 3.12Å; L1250-Q1253 PolarHBondContact O-N 2.91Å; L1250-A1254 PolarHBondContact O-N 3.3Å |
| 1251 | W | 83.8 | Confident | 78.3 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 15% | 0.148 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 171.7 | -76 | 103.5 | 0 | 0 | 0 | 113.2 | M1233 E1236 S1247 Q1253 A1254 L1255 C1278 V1281 L1282 | M1233-W1251 HydrophobicContact CB-CH2 3.9Å; M1233-W1251 HydrophobicContact CB-CZ3 4.12Å; M1233-W1251 HydrophobicContact CG-CE3 4.23Å; M1233-W1251 HydrophobicContact CG-CH2 3.89Å; M1233-W1251 HydrophobicContact CG-CZ3 3.57Å; M1233-W1251 HydrophobicContact SD-CH2 4.06Å; M1233-W1251 HydrophobicContact SD-CZ3 3.58Å; M1233-W1251 VanDerWaalsContact SD-CZ3 3.58Å; E1236-W1251 HydrophobicContact CB-CZ2 4.16Å; E1236-W1251 PolarHBondContact OE2-NE1 2.96Å; S1247-W1251 VanDerWaalsContact O-CD1 3.23Å; S1247-W1251 PolarHBondContact O-N 2.88Å; W1251-Q1253 VanDerWaalsContact C-N 3.35Å; W1251-A1254 PolarHBondContact O-N 3.22Å; W1251-L1255 WeakPolarHBondContact O-CB 3.36Å; W1251-L1255 PolarHBondContact O-N 3.44Å; W1251-C1278 HydrophobicContact CE3-CB 4.27Å; W1251-V1281 HydrophobicContact CD2-CB 4.26Å; W1251-V1281 HydrophobicContact CD2-CG1 3.84Å; W1251-V1281 HydrophobicContact CE3-CB 4.15Å; W1251-V1281 HydrophobicContact CE3-CG1 4.25Å; W1251-V1281 HydrophobicContact CE3-CG2 4.21Å; W1251-V1281 HydrophobicContact CG-CG1 4.23Å; W1251-V1281 HydrophobicContact CH2-CB 4.49Å; W1251-V1281 HydrophobicContact CH2-CG2 3.76Å; W1251-V1281 HydrophobicContact CZ2-CG1 4.15Å; W1251-V1281 HydrophobicContact CZ2-CG2 4.11Å; W1251-V1281 HydrophobicContact CZ3-CB 4.26Å; W1251-V1281 HydrophobicContact CZ3-CG2 3.81Å; W1251-L1282 HydrophobicContact CB-CD2 4.16Å; W1251-L1282 HydrophobicContact CB-CG 4.46Å |
| 1252 | N | 86.6 | Confident | 80 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -33.1 | 174.2 | -80.7 | -69.6 | 0 | 0 | 0 | 112.5 | M1248 K1249 S1256 | M1248-N1252 WeakPolarHBondContact O-CB 3.31Å; M1248-N1252 PolarHBondContact O-N 2.95Å; M1248-N1252 PolarHBondContact O-ND2 2.87Å; K1249-N1252 PolarHBondContact O-N 3.39Å; N1252-S1256 PolarHBondContact O-N 3.37Å; N1252-S1256 VanDerWaalsContact O-N 3.13Å |
| 1253 | Q | 88.3 | Confident | 81.6 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -50 | 171.1 | -74.5 | 174.7 | -2.8 | 0 | 0 | 111.5 | L1232 K1249 L1250 W1251 L1255 S1256 V1257 | L1232-Q1253 HydrophobicContact CD1-CB 3.86Å; K1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; K1249-Q1253 PolarHBondContact O-N 3.44Å; L1250-Q1253 PolarHBondContact O-N 2.91Å; W1251-Q1253 VanDerWaalsContact C-N 3.35Å; Q1253-L1255 VanDerWaalsContact C-N 3.33Å; Q1253-L1255 PolarHBondContact O-N 3.12Å; Q1253-S1256 PolarHBondContact O-N 3.21Å; Q1253-S1256 VanDerWaalsContact O-N 3.15Å; Q1253-S1256 PolarHBondContact O-OG 3.23Å; Q1253-V1257 WeakPolarHBondContact O-CG2 3.39Å; Q1253-V1257 PolarHBondContact O-N 3.38Å; Q1253-V1257 VanDerWaalsContact O-N 3.14Å |
| 1254 | A | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1232 M1233 L1250 W1251 S1256 V1257 Y1258 | L1232-A1254 HydrophobicContact CB-CB 4.01Å; L1232-A1254 HydrophobicContact CD1-CB 4.36Å; M1233-A1254 HydrophobicContact CG-CB 4.05Å; L1250-A1254 PolarHBondContact O-N 3.3Å; W1251-A1254 PolarHBondContact O-N 3.22Å; A1254-S1256 PolarHBondContact O-N 3.39Å; A1254-V1257 PolarHBondContact O-N 2.89Å; A1254-Y1258 HydrophobicContact CB-CE2 4.36Å; A1254-Y1258 WeakPolarHBondContact O-CD2 3.49Å; A1254-Y1258 PolarHBondContact O-N 3.32Å |
| 1255 | L | 90 | Very high | 83.8 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.9 | -50.2 | 174.5 | 179.9 | 151.9 | 0 | 0 | 0 | 111.9 | W1251 Q1253 V1257 Y1258 E1259 L1275 C1278 L1279 L1282 | W1251-L1255 WeakPolarHBondContact O-CB 3.36Å; W1251-L1255 PolarHBondContact O-N 3.44Å; Q1253-L1255 VanDerWaalsContact C-N 3.33Å; Q1253-L1255 PolarHBondContact O-N 3.12Å; L1255-V1257 VanDerWaalsContact C-N 3.27Å; L1255-V1257 PolarHBondContact O-N 3.28Å; L1255-Y1258 PolarHBondContact O-N 3.4Å; L1255-E1259 HydrophobicContact CD2-CG 4.36Å; L1255-E1259 WeakPolarHBondContact CD2-OE1 3.07Å; L1255-E1259 PolarHBondContact O-N 3.45Å; L1255-L1275 HydrophobicContact CD1-CD1 4.46Å; L1255-L1275 HydrophobicContact CG-CD1 3.82Å; L1255-C1278 HydrophobicContact CB-CB 4.11Å; L1255-L1279 HydrophobicContact CD1-CD2 3.75Å; L1255-L1279 HydrophobicContact CD1-CG 4.3Å; L1255-L1282 HydrophobicContact CD1-CD1 3.6Å |
| 1256 | S | 90.5 | Very high | 84.4 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -32.6 | -179.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | N1252 Q1253 A1254 F1260 | N1252-S1256 PolarHBondContact O-N 3.37Å; N1252-S1256 VanDerWaalsContact O-N 3.13Å; Q1253-S1256 PolarHBondContact O-N 3.21Å; Q1253-S1256 VanDerWaalsContact O-N 3.15Å; Q1253-S1256 PolarHBondContact O-OG 3.23Å; A1254-S1256 PolarHBondContact O-N 3.39Å; S1256-F1260 PolarHBondContact O-N 2.94Å; S1256-F1260 VanDerWaalsContact O-N 3.12Å |
| 1257 | V | 90.6 | Very high | 84.8 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.7 | -37 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | H1225 Y1228 A1229 Q1253 A1254 L1255 F1260 A1261 | H1225-V1257 HydrophobicContact CB-CG1 3.85Å; H1225-V1257 WeakPolarHBondContact O-CG1 3.37Å; Y1228-V1257 HydrophobicContact CD1-CG1 4.04Å; Y1228-V1257 HydrophobicContact CD1-CG2 3.82Å; Y1228-V1257 HydrophobicContact CE1-CG2 3.84Å; A1229-V1257 HydrophobicContact CB-CB 4.01Å; A1229-V1257 HydrophobicContact CB-CG1 3.85Å; Q1253-V1257 WeakPolarHBondContact O-CG2 3.39Å; Q1253-V1257 PolarHBondContact O-N 3.38Å; Q1253-V1257 VanDerWaalsContact O-N 3.14Å; A1254-V1257 PolarHBondContact O-N 2.89Å; L1255-V1257 VanDerWaalsContact C-N 3.27Å; L1255-V1257 PolarHBondContact O-N 3.28Å; V1257-F1260 PolarHBondContact O-N 2.95Å; V1257-A1261 WeakPolarHBondContact O-CB 3.47Å; V1257-A1261 PolarHBondContact O-N 2.75Å |
| 1258 | Y | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 171.9 | -69.5 | -62.3 | 0 | 0 | 0 | 112.4 | A1229 N1230 M1233 A1254 L1255 F1260 A1261 L1262 A1271 G1274 L1275 | A1229-Y1258 HydrophobicContact CB-CD1 3.93Å; A1229-Y1258 HydrophobicContact CB-CD2 3.88Å; A1229-Y1258 HydrophobicContact CB-CE1 3.57Å; A1229-Y1258 HydrophobicContact CB-CE2 3.51Å; A1229-Y1258 HydrophobicContact CB-CG 4.06Å; N1230-Y1258 PolarHBondContact N-OH 3.22Å; N1230-Y1258 PolarHBondContact OD1-OH 2.79Å; M1233-Y1258 HydrophobicContact CE-CE2 4.41Å; M1233-Y1258 WeakPolarHBondContact CE-OH 3.38Å; M1233-Y1258 HydrophobicContact CG-CE2 4.41Å; M1233-Y1258 HydrophobicContact SD-CE2 3.81Å; A1254-Y1258 HydrophobicContact CB-CE2 4.36Å; A1254-Y1258 WeakPolarHBondContact O-CD2 3.49Å; A1254-Y1258 PolarHBondContact O-N 3.32Å; L1255-Y1258 PolarHBondContact O-N 3.4Å; Y1258-F1260 VanDerWaalsContact C-N 3.26Å; Y1258-F1260 PolarHBondContact O-N 3.33Å; Y1258-A1261 PolarHBondContact O-N 3.19Å; Y1258-L1262 WeakPolarHBondContact O-CG 3.49Å; Y1258-L1262 PolarHBondContact O-N 2.94Å; Y1258-A1271 HydrophobicContact CD1-CB 4.41Å; Y1258-G1274 VanDerWaalsContact CD2-C 3.49Å; Y1258-L1275 HydrophobicContact CG-CB 4.48Å |
| 1259 | E | 89.8 | Confident | 86 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.7 | -40.4 | 170.4 | -81.5 | -165.9 | -157 | 0 | 0 | 111.9 | L1255 K1263 L1275 | L1255-E1259 HydrophobicContact CD2-CG 4.36Å; L1255-E1259 WeakPolarHBondContact CD2-OE1 3.07Å; L1255-E1259 PolarHBondContact O-N 3.45Å; E1259-K1263 VanDerWaalsContact O-CD 3.25Å; E1259-K1263 WeakPolarHBondContact O-CD 3.47Å; E1259-K1263 WeakPolarHBondContact O-CG 3.39Å; E1259-K1263 PolarHBondContact O-N 3.27Å; E1259-K1263 VanDerWaalsContact O-N 3.13Å; E1259-K1263 IonicContact OE2-NZ 2.77Å; E1259-K1263 PolarHBondContact OE2-NZ 2.78Å; E1259-L1275 HydrophobicContact CG-CD1 4.19Å; E1259-L1275 HydrophobicContact CG-CD2 4.29Å |
| 1260 | F | 89.2 | Confident | 86.1 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.6 | -171.8 | -87.7 | 0 | 0 | 0 | 111.6 | H1225 S1256 V1257 Y1258 L1262 K1263 M1264 | H1225-F1260 AromaticContact CE1-CD1 3.46Å; H1225-F1260 VanDerWaalsContact CE1-CD1 3.46Å; H1225-F1260 WeakPolarHBondContact CE1-CD1 3.29Å; H1225-F1260 AromaticContact CE1-CE1 3.43Å; H1225-F1260 VanDerWaalsContact CE1-CE1 3.43Å; H1225-F1260 WeakPolarHBondContact CE1-CE1 3.38Å; H1225-F1260 AromaticContact ND1-CD1 3.7Å; H1225-F1260 AromaticContact NE2-CD1 3.72Å; H1225-F1260 AromaticContact NE2-CE1 3.41Å; H1225-F1260 WeakPolarHBondContact NE2-CE1 3.5Å; S1256-F1260 PolarHBondContact O-N 2.94Å; S1256-F1260 VanDerWaalsContact O-N 3.12Å; V1257-F1260 PolarHBondContact O-N 2.95Å; Y1258-F1260 VanDerWaalsContact C-N 3.26Å; Y1258-F1260 PolarHBondContact O-N 3.33Å; F1260-L1262 VanDerWaalsContact C-N 3.33Å; F1260-L1262 PolarHBondContact O-N 2.85Å; F1260-K1263 PolarHBondContact O-N 2.94Å; F1260-M1264 HydrophobicContact CD1-CG 4.15Å; F1260-M1264 HydrophobicContact CE1-CG 3.76Å; F1260-M1264 HydrophobicContact CE1-SD 4.18Å; F1260-M1264 HydrophobicContact CZ-CG 4.29Å; F1260-M1264 HydrophobicContact CZ-SD 4.18Å; F1260-M1264 WeakPolarHBondContact O-CG 3.34Å; F1260-M1264 PolarHBondContact O-N 3.34Å |
| 1261 | A | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1222 H1225 I1226 V1257 Y1258 M1264 D1265 A1271 | L1222-A1261 HydrophobicContact CD1-CB 3.83Å; L1222-A1261 VanDerWaalsContact CD1-O 3.27Å; L1222-A1261 WeakPolarHBondContact CD1-O 3.48Å; H1225-A1261 HydrophobicContact CB-CB 4.26Å; I1226-A1261 HydrophobicContact CG1-CB 4.05Å; V1257-A1261 WeakPolarHBondContact O-CB 3.47Å; V1257-A1261 PolarHBondContact O-N 2.75Å; Y1258-A1261 PolarHBondContact O-N 3.19Å; A1261-M1264 WeakPolarHBondContact O-CB 3.44Å; A1261-M1264 PolarHBondContact O-N 3.37Å; A1261-D1265 PolarHBondContact O-N 3.47Å; A1261-D1265 VanDerWaalsContact O-N 3.13Å; A1261-A1271 HydrophobicContact CB-CB 3.94Å |
| 1262 | L | 86.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.3 | -32.5 | 177.4 | -73.8 | 159 | 0 | 0 | 0 | 113 | Y1258 F1260 M1264 D1265 E1266 A1271 L1275 | Y1258-L1262 WeakPolarHBondContact O-CG 3.49Å; Y1258-L1262 PolarHBondContact O-N 2.94Å; F1260-L1262 VanDerWaalsContact C-N 3.33Å; F1260-L1262 PolarHBondContact O-N 2.85Å; L1262-M1264 PolarHBondContact O-N 2.73Å; L1262-D1265 CarbonylContact O-C 3.54Å; L1262-D1265 VanDerWaalsContact O-C 3.29Å; L1262-D1265 PolarHBondContact O-N 2.95Å; L1262-E1266 WeakPolarHBondContact O-CA 3.21Å; L1262-E1266 PolarHBondContact O-N 2.76Å; L1262-A1271 HydrophobicContact CD2-CB 4.03Å; L1262-A1271 HydrophobicContact CG-CB 3.88Å; L1262-L1275 HydrophobicContact CD1-CB 3.99Å; L1262-L1275 HydrophobicContact CD1-CD2 3.45Å; L1262-L1275 VanDerWaalsContact CD1-CD2 3.45Å; L1262-L1275 HydrophobicContact CD1-CG 4.36Å |
| 1263 | K | 86.6 | Confident | 86.6 | Confident | 141 Ų | 141 | 46.2 Ų | 46.2 | 61% | 0.613 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66.3 | -13 | 170.8 | -70.7 | 159.7 | -166.9 | 159.2 | 0 | 113.1 | E1259 F1260 | E1259-K1263 VanDerWaalsContact O-CD 3.25Å; E1259-K1263 WeakPolarHBondContact O-CD 3.47Å; E1259-K1263 WeakPolarHBondContact O-CG 3.39Å; E1259-K1263 PolarHBondContact O-N 3.27Å; E1259-K1263 VanDerWaalsContact O-N 3.13Å; E1259-K1263 IonicContact OE2-NZ 2.77Å; E1259-K1263 PolarHBondContact OE2-NZ 2.78Å; F1260-K1263 PolarHBondContact O-N 2.94Å |
| 1264 | M | 84.1 | Confident | 86.5 | Confident | 80 Ų | 80 | 42 Ų | 42 | 39% | 0.394 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -100.9 | -27.2 | 177 | -63.2 | -68.2 | -71.5 | 0 | 0 | 113.1 | N1220 L1222 F1260 A1261 L1262 | N1220-M1264 HydrophobicContact CB-CE 4.45Å; L1222-M1264 HydrophobicContact CD1-CB 4.35Å; F1260-M1264 HydrophobicContact CD1-CG 4.15Å; F1260-M1264 HydrophobicContact CE1-CG 3.76Å; F1260-M1264 HydrophobicContact CE1-SD 4.18Å; F1260-M1264 HydrophobicContact CZ-CG 4.29Å; F1260-M1264 HydrophobicContact CZ-SD 4.18Å; F1260-M1264 WeakPolarHBondContact O-CG 3.34Å; F1260-M1264 PolarHBondContact O-N 3.34Å; A1261-M1264 WeakPolarHBondContact O-CB 3.44Å; A1261-M1264 PolarHBondContact O-N 3.37Å; L1262-M1264 PolarHBondContact O-N 2.73Å |
| 1265 | D | 82.2 | Confident | 86.6 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | trans | -154.2 | 95.3 | 174.2 | -177.6 | 8.3 | 0 | 0 | 0 | 110.1 | L1222 A1261 L1262 L1267 N1268 | L1222-D1265 HydrophobicContact CD1-CB 4.44Å; L1222-D1265 HydrophobicContact CD2-CB 3.51Å; A1261-D1265 PolarHBondContact O-N 3.47Å; A1261-D1265 VanDerWaalsContact O-N 3.13Å; L1262-D1265 CarbonylContact O-C 3.54Å; L1262-D1265 VanDerWaalsContact O-C 3.29Å; L1262-D1265 PolarHBondContact O-N 2.95Å; D1265-L1267 PolarHBondContact O-N 3.18Å; D1265-L1267 VanDerWaalsContact O-N 3.16Å; D1265-L1267 PolarHBondContact OD1-N 3.19Å; D1265-N1268 HydrophobicContact CB-CB 4.15Å; D1265-N1268 WeakPolarHBondContact O-CB 3.2Å; D1265-N1268 PolarHBondContact O-N 2.69Å; D1265-N1268 VanDerWaalsContact O-N 3.12Å | ||
| 1266 | E | 80 | Confident | 86.5 | Confident | 142 Ų | 142 | 41.9 Ų | 41.9 | 66% | 0.664 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.9 | -177.1 | -62.3 | 176.4 | 165.2 | 0 | 0 | 112.8 | L1262 N1268 | L1262-E1266 WeakPolarHBondContact O-CA 3.21Å; L1262-E1266 PolarHBondContact O-N 2.76Å; E1266-N1268 VanDerWaalsContact C-N 3.34Å |
| 1267 | L | 77.7 | Confident | 86.3 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 38% | 0.377 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.7 | -179.9 | -58.9 | 178.8 | 0 | 0 | 0 | 113.2 | D1265 L1269 I1298 Y1302 | D1265-L1267 PolarHBondContact O-N 3.18Å; D1265-L1267 VanDerWaalsContact O-N 3.16Å; D1265-L1267 PolarHBondContact OD1-N 3.19Å; L1267-L1269 PolarHBondContact O-N 3.09Å; L1267-L1269 VanDerWaalsContact O-N 3.07Å; L1267-I1298 HydrophobicContact CD2-CB 4.44Å; L1267-I1298 HydrophobicContact CD2-CG2 3.4Å; L1267-Y1302 HydrophobicContact CD1-CD2 4.45Å; L1267-Y1302 HydrophobicContact CD1-CE2 4.48Å |
| 1268 | N | 83.9 | Confident | 86.1 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | trans | -80.5 | 96.8 | -171.1 | -167.4 | -20 | 0 | 0 | 0 | 113.5 | L1222 I1226 D1265 E1266 E1270 A1271 S1272 | L1222-N1268 WeakPolarHBondContact CD2-ND2 2.91Å; I1226-N1268 WeakPolarHBondContact CD1-ND2 3.27Å; D1265-N1268 HydrophobicContact CB-CB 4.15Å; D1265-N1268 WeakPolarHBondContact O-CB 3.2Å; D1265-N1268 PolarHBondContact O-N 2.69Å; D1265-N1268 VanDerWaalsContact O-N 3.12Å; E1266-N1268 VanDerWaalsContact C-N 3.34Å; N1268-E1270 VanDerWaalsContact C-N 3.32Å; N1268-E1270 PolarHBondContact O-N 3.37Å; N1268-E1270 PolarHBondContact OD1-N 2.85Å; N1268-A1271 HydrophobicContact CB-CB 4.26Å; N1268-A1271 PolarHBondContact O-N 3.36Å; N1268-A1271 VanDerWaalsContact O-N 3.15Å; N1268-S1272 PolarHBondContact O-N 3.13Å | ||
| 1269 | L | 83.5 | Confident | 86 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.6 | -38.4 | 176.1 | -64.5 | 172.2 | 0 | 0 | 0 | 114 | L1267 A1271 S1272 I1273 Y1299 L1326 A1329 | L1267-L1269 PolarHBondContact O-N 3.09Å; L1267-L1269 VanDerWaalsContact O-N 3.07Å; L1269-A1271 VanDerWaalsContact C-N 3.32Å; L1269-A1271 PolarHBondContact O-N 3.07Å; L1269-S1272 PolarHBondContact O-N 3.38Å; L1269-I1273 WeakPolarHBondContact O-CB 3.45Å; L1269-I1273 WeakPolarHBondContact O-CD1 3.33Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.46Å; L1269-I1273 PolarHBondContact O-N 3.04Å; L1269-Y1299 HydrophobicContact CD1-CD2 4.1Å; L1269-Y1299 HydrophobicContact CD1-CE2 3.99Å; L1269-L1326 HydrophobicContact CD1-CD1 4.4Å; L1269-A1329 HydrophobicContact CD2-CB 4.44Å |
| 1270 | E | 84 | Confident | 85.8 | Confident | 58 Ų | 58 | 36.9 Ų | 36.9 | 27% | 0.271 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.6 | -34.9 | -179 | -166.8 | 172.5 | -149.8 | 0 | 0 | 111.2 | K163 I1226 N1268 G1274 L1325 | K163-E1270 IonicContact NZ-OE1 2.69Å; K163-E1270 PolarHBondContact NZ-OE1 3.19Å; I1226-E1270 HydrophobicContact CG2-CG 3.94Å; N1268-E1270 VanDerWaalsContact C-N 3.32Å; N1268-E1270 PolarHBondContact O-N 3.37Å; N1268-E1270 PolarHBondContact OD1-N 2.85Å; E1270-G1274 PolarHBondContact O-N 3.33Å; E1270-L1325 HydrophobicContact CB-CD2 4.19Å; E1270-L1325 HydrophobicContact CG-CD2 4.4Å |
| 1271 | A | 86.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.2 | -37.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1226 Y1258 A1261 L1262 N1268 L1269 G1274 L1275 | I1226-A1271 HydrophobicContact CD1-CB 4.07Å; I1226-A1271 HydrophobicContact CG1-CB 4.14Å; Y1258-A1271 HydrophobicContact CD1-CB 4.41Å; A1261-A1271 HydrophobicContact CB-CB 3.94Å; L1262-A1271 HydrophobicContact CD2-CB 4.03Å; L1262-A1271 HydrophobicContact CG-CB 3.88Å; N1268-A1271 HydrophobicContact CB-CB 4.26Å; N1268-A1271 PolarHBondContact O-N 3.36Å; N1268-A1271 VanDerWaalsContact O-N 3.15Å; L1269-A1271 VanDerWaalsContact C-N 3.32Å; L1269-A1271 PolarHBondContact O-N 3.07Å; A1271-G1274 PolarHBondContact O-N 3.11Å; A1271-L1275 PolarHBondContact O-N 3.47Å |
| 1272 | S | 89.1 | Confident | 85 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 176.9 | -166 | 0 | 0 | 0 | 0 | 112.5 | N1268 L1269 L1275 S1276 Q1291 T1295 | N1268-S1272 PolarHBondContact O-N 3.13Å; L1269-S1272 PolarHBondContact O-N 3.38Å; S1272-L1275 PolarHBondContact O-N 3.47Å; S1272-S1276 VanDerWaalsContact O-CB 3.27Å; S1272-S1276 WeakPolarHBondContact O-CB 3.35Å; S1272-S1276 PolarHBondContact O-N 2.93Å; S1272-S1276 PolarHBondContact O-OG 3.43Å; S1272-Q1291 PolarHBondContact OG-NE2 2.92Å; S1272-T1295 WeakPolarHBondContact CB-OG1 3.25Å; S1272-T1295 WeakPolarHBondContact OG-CB 3.21Å; S1272-T1295 WeakPolarHBondContact OG-CG2 3.45Å; S1272-T1295 PolarHBondContact OG-OG1 3.15Å |
| 1273 | I | 87.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 172.5 | -73.6 | 163.8 | 0 | 0 | 0 | 110.1 | L1269 L1275 S1276 M1277 I1292 D1328 A1329 | L1269-I1273 WeakPolarHBondContact O-CB 3.45Å; L1269-I1273 WeakPolarHBondContact O-CD1 3.33Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.46Å; L1269-I1273 PolarHBondContact O-N 3.04Å; I1273-L1275 PolarHBondContact O-N 3.43Å; I1273-S1276 PolarHBondContact O-N 3.5Å; I1273-M1277 HydrophobicContact CG2-CE 3.9Å; I1273-M1277 HydrophobicContact CG2-SD 4.31Å; I1273-M1277 WeakPolarHBondContact O-CG 3.47Å; I1273-M1277 PolarHBondContact O-N 2.86Å; I1273-I1292 HydrophobicContact CG1-CD1 4.37Å; I1273-D1328 HydrophobicContact CD1-CB 4.05Å; I1273-A1329 HydrophobicContact CD1-CB 4.06Å; I1273-A1329 HydrophobicContact CG1-CB 4.18Å |
| 1274 | G | 86.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1258 E1270 A1271 S1276 M1277 C1278 | Y1258-G1274 VanDerWaalsContact CD2-C 3.49Å; E1270-G1274 PolarHBondContact O-N 3.33Å; A1271-G1274 PolarHBondContact O-N 3.11Å; G1274-S1276 PolarHBondContact O-N 3.38Å; G1274-M1277 PolarHBondContact O-N 3.36Å; G1274-C1278 PolarHBondContact O-N 3.03Å; G1274-C1278 PolarHBondContact O-SG 3.27Å |
| 1275 | L | 90.1 | Very high | 84.9 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.8 | -176.9 | 55.8 | 0 | 0 | 0 | 111.7 | L1255 Y1258 E1259 L1262 A1271 S1272 I1273 M1277 C1278 L1279 Q1291 | L1255-L1275 HydrophobicContact CD1-CD1 4.46Å; L1255-L1275 HydrophobicContact CG-CD1 3.82Å; Y1258-L1275 HydrophobicContact CG-CB 4.48Å; E1259-L1275 HydrophobicContact CG-CD1 4.19Å; E1259-L1275 HydrophobicContact CG-CD2 4.29Å; L1262-L1275 HydrophobicContact CD1-CB 3.99Å; L1262-L1275 HydrophobicContact CD1-CD2 3.45Å; L1262-L1275 VanDerWaalsContact CD1-CD2 3.45Å; L1262-L1275 HydrophobicContact CD1-CG 4.36Å; A1271-L1275 PolarHBondContact O-N 3.47Å; S1272-L1275 PolarHBondContact O-N 3.47Å; I1273-L1275 PolarHBondContact O-N 3.43Å; L1275-M1277 PolarHBondContact O-N 2.83Å; L1275-C1278 PolarHBondContact O-N 3.29Å; L1275-L1279 HydrophobicContact CD1-CD1 4.21Å; L1275-L1279 HydrophobicContact CD1-CG 4.24Å; L1275-L1279 HydrophobicContact CG-CD1 3.97Å; L1275-L1279 HydrophobicContact CG-CG 4.45Å; L1275-L1279 WeakPolarHBondContact O-CB 3.22Å; L1275-L1279 WeakPolarHBondContact O-CG 3.07Å; L1275-L1279 PolarHBondContact O-N 2.94Å; L1275-Q1291 HydrophobicContact CD2-CG 3.93Å; L1275-Q1291 HydrophobicContact CG-CG 4.3Å |
| 1276 | S | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | S1272 I1273 G1274 L1279 Q1280 | S1272-S1276 VanDerWaalsContact O-CB 3.27Å; S1272-S1276 WeakPolarHBondContact O-CB 3.35Å; S1272-S1276 PolarHBondContact O-N 2.93Å; S1272-S1276 PolarHBondContact O-OG 3.43Å; I1273-S1276 PolarHBondContact O-N 3.5Å; G1274-S1276 PolarHBondContact O-N 3.38Å; S1276-L1279 PolarHBondContact O-N 3.36Å; S1276-Q1280 VanDerWaalsContact O-CB 3.25Å; S1276-Q1280 WeakPolarHBondContact O-CB 3.26Å; S1276-Q1280 PolarHBondContact O-N 3.01Å |
| 1277 | M | 86.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 171.8 | -71.9 | -175.6 | 176.9 | 0 | 0 | 112.1 | I1273 G1274 L1275 Q1280 V1281 C1332 | I1273-M1277 HydrophobicContact CG2-CE 3.9Å; I1273-M1277 HydrophobicContact CG2-SD 4.31Å; I1273-M1277 WeakPolarHBondContact O-CG 3.47Å; I1273-M1277 PolarHBondContact O-N 2.86Å; G1274-M1277 PolarHBondContact O-N 3.36Å; L1275-M1277 PolarHBondContact O-N 2.83Å; M1277-Q1280 WeakPolarHBondContact O-CB 3.42Å; M1277-Q1280 PolarHBondContact O-N 2.79Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.49Å; M1277-V1281 PolarHBondContact O-N 2.89Å; M1277-C1332 VanDerWaalsContact CE-SG 3.56Å |
| 1278 | C | 86.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.7 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | M1233 W1251 L1255 G1274 L1275 Q1280 V1281 L1282 | M1233-C1278 VanDerWaalsContact SD-SG 3.68Å; W1251-C1278 HydrophobicContact CE3-CB 4.27Å; L1255-C1278 HydrophobicContact CB-CB 4.11Å; G1274-C1278 PolarHBondContact O-N 3.03Å; G1274-C1278 PolarHBondContact O-SG 3.27Å; L1275-C1278 PolarHBondContact O-N 3.29Å; C1278-Q1280 VanDerWaalsContact C-N 3.31Å; C1278-Q1280 PolarHBondContact O-N 3.05Å; C1278-V1281 PolarHBondContact O-N 2.85Å; C1278-L1282 WeakPolarHBondContact O-CB 3.28Å; C1278-L1282 VanDerWaalsContact O-CG 3.28Å; C1278-L1282 WeakPolarHBondContact O-CG 3.4Å; C1278-L1282 PolarHBondContact O-N 3.12Å |
| 1279 | L | 88.4 | Confident | 86.7 | Confident | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.9 | -71.5 | 169 | 0 | 0 | 0 | 111.8 | L1255 L1275 S1276 L1282 G1283 R1284 D1287 A1288 Q1291 | L1255-L1279 HydrophobicContact CD1-CD2 3.75Å; L1255-L1279 HydrophobicContact CD1-CG 4.3Å; L1275-L1279 HydrophobicContact CD1-CD1 4.21Å; L1275-L1279 HydrophobicContact CD1-CG 4.24Å; L1275-L1279 HydrophobicContact CG-CD1 3.97Å; L1275-L1279 HydrophobicContact CG-CG 4.45Å; L1275-L1279 WeakPolarHBondContact O-CB 3.22Å; L1275-L1279 WeakPolarHBondContact O-CG 3.07Å; L1275-L1279 PolarHBondContact O-N 2.94Å; S1276-L1279 PolarHBondContact O-N 3.36Å; L1279-L1282 CarbonylContact O-C 3.38Å; L1279-L1282 PolarHBondContact O-N 3.39Å; L1279-G1283 PolarHBondContact O-N 3.3Å; L1279-R1284 HydrophobicContact CB-CB 4.37Å; L1279-R1284 HydrophobicContact CD2-CB 4.12Å; L1279-R1284 WeakPolarHBondContact O-CA 3.45Å; L1279-R1284 PolarHBondContact O-N 3.45Å; L1279-D1287 HydrophobicContact CD1-CB 4.38Å; L1279-D1287 HydrophobicContact CD2-CB 4.5Å; L1279-A1288 HydrophobicContact CB-CB 3.75Å; L1279-Q1291 HydrophobicContact CD1-CB 4.48Å |
| 1280 | Q | 85.6 | Confident | 87.1 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.9 | -172.8 | -162 | 3.4 | 0 | 0 | 112.1 | S1276 M1277 C1278 L1282 G1283 L1285 I1335 I1336 Q1339 | S1276-Q1280 VanDerWaalsContact O-CB 3.25Å; S1276-Q1280 WeakPolarHBondContact O-CB 3.26Å; S1276-Q1280 PolarHBondContact O-N 3.01Å; M1277-Q1280 WeakPolarHBondContact O-CB 3.42Å; M1277-Q1280 PolarHBondContact O-N 2.79Å; C1278-Q1280 VanDerWaalsContact C-N 3.31Å; C1278-Q1280 PolarHBondContact O-N 3.05Å; Q1280-L1282 VanDerWaalsContact C-N 3.29Å; Q1280-L1282 PolarHBondContact O-N 2.92Å; Q1280-G1283 PolarHBondContact O-N 2.84Å; Q1280-L1285 HydrophobicContact CG-CD2 3.98Å; Q1280-I1335 VanDerWaalsContact NE2-CG2 3.27Å; Q1280-I1336 HydrophobicContact CG-CG1 4.48Å; Q1280-Q1339 VanDerWaalsContact CG-OE1 3.22Å |
| 1281 | V | 78.4 | Confident | 87.3 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 111 | N153 W1251 M1277 C1278 G1283 | N153-V1281 VanDerWaalsContact ND2-CG2 3.29Å; N153-V1281 WeakPolarHBondContact ND2-CG2 3.44Å; W1251-V1281 HydrophobicContact CD2-CB 4.26Å; W1251-V1281 HydrophobicContact CD2-CG1 3.84Å; W1251-V1281 HydrophobicContact CE3-CB 4.15Å; W1251-V1281 HydrophobicContact CE3-CG1 4.25Å; W1251-V1281 HydrophobicContact CE3-CG2 4.21Å; W1251-V1281 HydrophobicContact CG-CG1 4.23Å; W1251-V1281 HydrophobicContact CH2-CB 4.49Å; W1251-V1281 HydrophobicContact CH2-CG2 3.76Å; W1251-V1281 HydrophobicContact CZ2-CG1 4.15Å; W1251-V1281 HydrophobicContact CZ2-CG2 4.11Å; W1251-V1281 HydrophobicContact CZ3-CB 4.26Å; W1251-V1281 HydrophobicContact CZ3-CG2 3.81Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.49Å; M1277-V1281 PolarHBondContact O-N 2.89Å; C1278-V1281 PolarHBondContact O-N 2.85Å; V1281-G1283 PolarHBondContact O-N 3.49Å |
| 1282 | L | 81.6 | Confident | 87.4 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 10 | 175 | -65.1 | 169.7 | 0 | 0 | 0 | 113.8 | W1251 L1255 C1278 L1279 Q1280 R1284 | W1251-L1282 HydrophobicContact CB-CD2 4.16Å; W1251-L1282 HydrophobicContact CB-CG 4.46Å; L1255-L1282 HydrophobicContact CD1-CD1 3.6Å; C1278-L1282 WeakPolarHBondContact O-CB 3.28Å; C1278-L1282 VanDerWaalsContact O-CG 3.28Å; C1278-L1282 WeakPolarHBondContact O-CG 3.4Å; C1278-L1282 PolarHBondContact O-N 3.12Å; L1279-L1282 CarbonylContact O-C 3.38Å; L1279-L1282 PolarHBondContact O-N 3.39Å; Q1280-L1282 VanDerWaalsContact C-N 3.29Å; Q1280-L1282 PolarHBondContact O-N 2.92Å; L1282-R1284 PolarHBondContact O-N 3.48Å |
| 1283 | G | 80.9 | Confident | 87.4 | Confident | 57 Ų | 57 | 37 Ų | 37 | 59% | 0.588 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 2.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1279 Q1280 V1281 L1285 | L1279-G1283 PolarHBondContact O-N 3.3Å; Q1280-G1283 PolarHBondContact O-N 2.84Å; V1281-G1283 PolarHBondContact O-N 3.49Å; G1283-L1285 PolarHBondContact O-N 2.95Å |
| 1284 | R | 87.6 | Confident | 87.4 | Confident | 122 Ų | 122 | 41.5 Ų | 41.5 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | trans | -83.6 | 53 | -177.5 | -57.6 | -171.1 | -172.6 | 169.3 | 3.7 | 112 | L1279 L1282 N1286 D1287 A1288 | L1279-R1284 HydrophobicContact CB-CB 4.37Å; L1279-R1284 HydrophobicContact CD2-CB 4.12Å; L1279-R1284 WeakPolarHBondContact O-CA 3.45Å; L1279-R1284 PolarHBondContact O-N 3.45Å; L1282-R1284 PolarHBondContact O-N 3.48Å; R1284-N1286 VanDerWaalsContact C-N 3.27Å; R1284-N1286 PolarHBondContact O-N 3.2Å; R1284-D1287 HydrophobicContact CB-CB 4.32Å; R1284-D1287 PolarHBondContact O-N 3.3Å; R1284-A1288 PolarHBondContact O-N 3.06Å | ||
| 1285 | L | 88.1 | Confident | 87.3 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.199 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.2 | -39.7 | -173.2 | -60.1 | -179.8 | 0 | 0 | 0 | 113.5 | Q1280 G1283 D1287 L1289 Q1339 L1340 | Q1280-L1285 HydrophobicContact CG-CD2 3.98Å; G1283-L1285 PolarHBondContact O-N 2.95Å; L1285-D1287 VanDerWaalsContact C-N 3.33Å; L1285-D1287 PolarHBondContact O-N 2.89Å; L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 PolarHBondContact O-N 3.27Å; L1285-Q1339 HydrophobicContact CD1-CB 3.85Å; L1285-Q1339 HydrophobicContact CD2-CB 4.2Å; L1285-Q1339 VanDerWaalsContact CD2-OE1 3.3Å; L1285-L1340 HydrophobicContact CB-CD1 4.47Å; L1285-L1340 HydrophobicContact CB-CD2 3.79Å; L1285-L1340 HydrophobicContact CB-CG 4.13Å; L1285-L1340 HydrophobicContact CD1-CD2 4.06Å; L1285-L1340 HydrophobicContact CD1-CG 4.41Å |
| 1286 | N | 91.4 | Very high | 87 | Confident | 101 Ų | 101 | 41.3 Ų | 41.3 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.7 | -32.8 | 178.4 | -73.5 | -33.1 | 0 | 0 | 0 | 112.9 | R1284 K1290 | R1284-N1286 VanDerWaalsContact C-N 3.27Å; R1284-N1286 PolarHBondContact O-N 3.2Å; N1286-K1290 VanDerWaalsContact O-CG 3.26Å; N1286-K1290 WeakPolarHBondContact O-CG 3.2Å; N1286-K1290 PolarHBondContact O-N 3.1Å; N1286-K1290 VanDerWaalsContact O-N 3.12Å |
| 1287 | D | 89.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.8 | -36 | 178.8 | -58.7 | -37.1 | 0 | 0 | 0 | 111.1 | L1279 R1284 L1285 L1289 K1290 Q1291 | L1279-D1287 HydrophobicContact CD1-CB 4.38Å; L1279-D1287 HydrophobicContact CD2-CB 4.5Å; R1284-D1287 HydrophobicContact CB-CB 4.32Å; R1284-D1287 PolarHBondContact O-N 3.3Å; L1285-D1287 VanDerWaalsContact C-N 3.33Å; L1285-D1287 PolarHBondContact O-N 2.89Å; D1287-L1289 VanDerWaalsContact C-N 3.29Å; D1287-L1289 PolarHBondContact O-N 2.86Å; D1287-K1290 PolarHBondContact O-N 2.99Å; D1287-K1290 IonicContact OD1-NZ 3.46Å; D1287-K1290 PolarHBondContact OD1-NZ 3.33Å; D1287-Q1291 WeakPolarHBondContact O-CB 3.12Å; D1287-Q1291 PolarHBondContact O-N 2.72Å |
| 1288 | A | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1279 R1284 Q1291 I1292 I1336 | L1279-A1288 HydrophobicContact CB-CB 3.75Å; R1284-A1288 PolarHBondContact O-N 3.06Å; A1288-Q1291 PolarHBondContact O-N 3.48Å; A1288-I1292 WeakPolarHBondContact O-CG2 3.43Å; A1288-I1292 PolarHBondContact O-N 2.92Å; A1288-I1336 HydrophobicContact CB-CD1 3.69Å; A1288-I1336 HydrophobicContact CB-CG1 4.3Å |
| 1289 | L | 91.1 | Very high | 85.9 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.9 | -174.1 | 150.2 | 0 | 0 | 0 | 112 | L1285 D1287 Q1291 T1293 I1336 Y1337 L1340 | L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 PolarHBondContact O-N 3.27Å; D1287-L1289 VanDerWaalsContact C-N 3.29Å; D1287-L1289 PolarHBondContact O-N 2.86Å; L1289-Q1291 VanDerWaalsContact C-N 3.31Å; L1289-Q1291 PolarHBondContact O-N 3.16Å; L1289-T1293 HydrophobicContact CD2-CG2 3.97Å; L1289-T1293 HydrophobicContact CG-CG2 4.27Å; L1289-T1293 VanDerWaalsContact O-CB 3.32Å; L1289-T1293 WeakPolarHBondContact O-CB 3.41Å; L1289-T1293 VanDerWaalsContact O-CG2 3.29Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; L1289-T1293 PolarHBondContact O-N 3.04Å; L1289-T1293 PolarHBondContact O-OG1 2.91Å; L1289-I1336 HydrophobicContact CB-CG2 3.89Å; L1289-I1336 HydrophobicContact CD1-CG2 4.45Å; L1289-Y1337 HydrophobicContact CD1-CD1 3.88Å; L1289-Y1337 HydrophobicContact CD1-CE1 3.64Å; L1289-L1340 HydrophobicContact CB-CD1 4.3Å; L1289-L1340 HydrophobicContact CD1-CD1 3.45Å; L1289-L1340 VanDerWaalsContact CD1-CD1 3.45Å |
| 1290 | K | 90.3 | Very high | 85.2 | Confident | 124 Ų | 124 | 51 Ų | 51 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 175.8 | -71.6 | 166 | -158.7 | 163.1 | 0 | 111 | N1286 D1287 T1293 H1294 | N1286-K1290 VanDerWaalsContact O-CG 3.26Å; N1286-K1290 WeakPolarHBondContact O-CG 3.2Å; N1286-K1290 PolarHBondContact O-N 3.1Å; N1286-K1290 VanDerWaalsContact O-N 3.12Å; D1287-K1290 PolarHBondContact O-N 2.99Å; D1287-K1290 IonicContact OD1-NZ 3.46Å; D1287-K1290 PolarHBondContact OD1-NZ 3.33Å; K1290-T1293 WeakPolarHBondContact CA-OG1 3.12Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; K1290-T1293 VanDerWaalsContact O-OG1 3.04Å; K1290-H1294 WeakPolarHBondContact O-CB 3.08Å; K1290-H1294 PolarHBondContact O-N 3.13Å |
| 1291 | Q | 87.9 | Confident | 84.4 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -52.5 | -177.6 | -177.4 | 58 | 34.1 | 0 | 0 | 111.9 | S1272 L1275 L1279 D1287 A1288 L1289 T1293 H1294 T1295 | S1272-Q1291 PolarHBondContact OG-NE2 2.92Å; L1275-Q1291 HydrophobicContact CD2-CG 3.93Å; L1275-Q1291 HydrophobicContact CG-CG 4.3Å; L1279-Q1291 HydrophobicContact CD1-CB 4.48Å; D1287-Q1291 WeakPolarHBondContact O-CB 3.12Å; D1287-Q1291 PolarHBondContact O-N 2.72Å; A1288-Q1291 PolarHBondContact O-N 3.48Å; L1289-Q1291 VanDerWaalsContact C-N 3.31Å; L1289-Q1291 PolarHBondContact O-N 3.16Å; Q1291-T1293 PolarHBondContact O-N 3.23Å; Q1291-H1294 PolarHBondContact O-N 2.67Å; Q1291-T1295 PolarHBondContact O-N 3.02Å; Q1291-T1295 VanDerWaalsContact O-N 3.07Å; Q1291-T1295 PolarHBondContact O-OG1 2.83Å |
| 1292 | I | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | -177.3 | -161.1 | 64.6 | 0 | 0 | 0 | 111.7 | I1273 A1288 T1295 L1296 A1329 R1333 I1336 | I1273-I1292 HydrophobicContact CG1-CD1 4.37Å; A1288-I1292 WeakPolarHBondContact O-CG2 3.43Å; A1288-I1292 PolarHBondContact O-N 2.92Å; I1292-T1295 PolarHBondContact O-OG1 3.12Å; I1292-L1296 HydrophobicContact CG1-CD1 4.2Å; I1292-L1296 WeakPolarHBondContact O-CB 3.4Å; I1292-L1296 WeakPolarHBondContact O-CG 3.34Å; I1292-L1296 PolarHBondContact O-N 3.35Å; I1292-A1329 HydrophobicContact CD1-CB 4.23Å; I1292-R1333 HydrophobicContact CG1-CB 4.11Å; I1292-R1333 HydrophobicContact CG2-CB 3.75Å; I1292-R1333 HydrophobicContact CG2-CG 3.75Å; I1292-I1336 HydrophobicContact CG2-CD1 4.21Å |
| 1293 | T | 90.4 | Very high | 83 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.5 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | L1289 K1290 Q1291 T1295 L1296 N1297 | L1289-T1293 HydrophobicContact CD2-CG2 3.97Å; L1289-T1293 HydrophobicContact CG-CG2 4.27Å; L1289-T1293 VanDerWaalsContact O-CB 3.32Å; L1289-T1293 WeakPolarHBondContact O-CB 3.41Å; L1289-T1293 VanDerWaalsContact O-CG2 3.29Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; L1289-T1293 PolarHBondContact O-N 3.04Å; L1289-T1293 PolarHBondContact O-OG1 2.91Å; K1290-T1293 WeakPolarHBondContact CA-OG1 3.12Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; K1290-T1293 VanDerWaalsContact O-OG1 3.04Å; Q1291-T1293 PolarHBondContact O-N 3.23Å; T1293-T1295 PolarHBondContact O-N 3.02Å; T1293-L1296 PolarHBondContact O-N 2.62Å; T1293-N1297 WeakPolarHBondContact O-CB 3.38Å; T1293-N1297 PolarHBondContact O-N 3.18Å; T1293-N1297 PolarHBondContact O-OD1 3.27Å; T1293-N1297 VanDerWaalsContact O-OD1 3.13Å |
| 1294 | H | 86.8 | Confident | 82 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 176.8 | -178.6 | 47.9 | 0 | 0 | 0 | 111.8 | K1290 Q1291 L1296 N1297 I1298 | K1290-H1294 WeakPolarHBondContact O-CB 3.08Å; K1290-H1294 PolarHBondContact O-N 3.13Å; Q1291-H1294 PolarHBondContact O-N 2.67Å; H1294-L1296 PolarHBondContact O-N 2.63Å; H1294-N1297 PolarHBondContact O-N 3.08Å; H1294-I1298 WeakPolarHBondContact O-CG1 3.06Å; H1294-I1298 PolarHBondContact O-N 3.01Å |
| 1295 | T | 84.1 | Confident | 80.6 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.1 | -30.8 | -179.9 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | S1272 Q1291 I1292 T1293 Y1299 | S1272-T1295 WeakPolarHBondContact CB-OG1 3.25Å; S1272-T1295 WeakPolarHBondContact OG-CB 3.21Å; S1272-T1295 WeakPolarHBondContact OG-CG2 3.45Å; S1272-T1295 PolarHBondContact OG-OG1 3.15Å; Q1291-T1295 PolarHBondContact O-N 3.02Å; Q1291-T1295 VanDerWaalsContact O-N 3.07Å; Q1291-T1295 PolarHBondContact O-OG1 2.83Å; I1292-T1295 PolarHBondContact O-OG1 3.12Å; T1293-T1295 PolarHBondContact O-N 3.02Å; T1295-Y1299 WeakPolarHBondContact O-CB 3.47Å; T1295-Y1299 PolarHBondContact O-N 3.02Å; T1295-Y1299 VanDerWaalsContact O-N 3.16Å |
| 1296 | L | 85.4 | Confident | 79 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 171.8 | -76.4 | 169.6 | 0 | 0 | 0 | 111.5 | I1292 T1293 H1294 Y1299 Y1300 L1326 A1329 Y1330 R1333 | I1292-L1296 HydrophobicContact CG1-CD1 4.2Å; I1292-L1296 WeakPolarHBondContact O-CB 3.4Å; I1292-L1296 WeakPolarHBondContact O-CG 3.34Å; I1292-L1296 PolarHBondContact O-N 3.35Å; T1293-L1296 PolarHBondContact O-N 2.62Å; H1294-L1296 PolarHBondContact O-N 2.63Å; L1296-Y1299 PolarHBondContact O-N 3.23Å; L1296-Y1300 VanDerWaalsContact O-CD2 3.26Å; L1296-Y1300 WeakPolarHBondContact O-CD2 3.4Å; L1296-Y1300 PolarHBondContact O-N 3.34Å; L1296-L1326 HydrophobicContact CD2-CD1 3.88Å; L1296-A1329 HydrophobicContact CD2-CB 3.95Å; L1296-Y1330 HydrophobicContact CD1-CD1 3.99Å; L1296-Y1330 HydrophobicContact CD1-CE1 3.9Å; L1296-Y1330 HydrophobicContact CD2-CD1 4.4Å; L1296-Y1330 HydrophobicContact CD2-CE1 3.91Å; L1296-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1296-Y1330 HydrophobicContact CG-CE1 4.47Å; L1296-R1333 HydrophobicContact CD1-CB 4.35Å |
| 1297 | N | 84.5 | Confident | 76.9 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 178 | -70.3 | 8.2 | 0 | 0 | 0 | 111.7 | T1293 H1294 Y1299 Y1300 D1301 | T1293-N1297 WeakPolarHBondContact O-CB 3.38Å; T1293-N1297 PolarHBondContact O-N 3.18Å; T1293-N1297 PolarHBondContact O-OD1 3.27Å; T1293-N1297 VanDerWaalsContact O-OD1 3.13Å; H1294-N1297 PolarHBondContact O-N 3.08Å; N1297-Y1299 PolarHBondContact O-N 3.19Å; N1297-Y1300 WeakPolarHBondContact O-CA 3.49Å; N1297-Y1300 WeakPolarHBondContact O-CB 3.4Å; N1297-Y1300 PolarHBondContact O-N 2.93Å; N1297-D1301 VanDerWaalsContact O-CG 3.28Å; N1297-D1301 PolarHBondContact O-N 3.14Å |
| 1298 | I | 79.9 | Confident | 74.6 | Confident | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -38.4 | 176.4 | -57.3 | 158.6 | 0 | 0 | 0 | 110.5 | L1267 H1294 D1301 Y1302 | L1267-I1298 HydrophobicContact CD2-CB 4.44Å; L1267-I1298 HydrophobicContact CD2-CG2 3.4Å; H1294-I1298 WeakPolarHBondContact O-CG1 3.06Å; H1294-I1298 PolarHBondContact O-N 3.01Å; I1298-D1301 PolarHBondContact O-N 3.13Å; I1298-Y1302 VanDerWaalsContact O-CB 3.3Å; I1298-Y1302 WeakPolarHBondContact O-CB 3.43Å; I1298-Y1302 PolarHBondContact O-N 3.41Å |
| 1299 | Y | 74.5 | Confident | 72.3 | Confident | 16 Ų | 16 | 70 Ų | 70 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 178.2 | -177.3 | -92.3 | 0 | 0 | 0 | 112.9 | L1269 T1295 L1296 N1297 Q1303 H1322 L1326 | L1269-Y1299 HydrophobicContact CD1-CD2 4.1Å; L1269-Y1299 HydrophobicContact CD1-CE2 3.99Å; T1295-Y1299 WeakPolarHBondContact O-CB 3.47Å; T1295-Y1299 PolarHBondContact O-N 3.02Å; T1295-Y1299 VanDerWaalsContact O-N 3.16Å; L1296-Y1299 PolarHBondContact O-N 3.23Å; N1297-Y1299 PolarHBondContact O-N 3.19Å; Y1299-Q1303 HydrophobicContact CE1-CG 4.27Å; Y1299-Q1303 VanDerWaalsContact CZ-NE2 3.34Å; Y1299-Q1303 WeakPolarHBondContact O-CG 3.39Å; Y1299-Q1303 PolarHBondContact O-N 3.42Å; Y1299-Q1303 VanDerWaalsContact O-N 3.14Å; Y1299-Q1303 PolarHBondContact OH-NE2 2.96Å; Y1299-Q1303 VanDerWaalsContact OH-NE2 3.09Å; Y1299-H1322 AromaticContact CE2-CE1 3.76Å; Y1299-H1322 PolarHBondContact OH-CE1 3.05Å; Y1299-H1322 PolarHBondContact OH-NE2 3.28Å; Y1299-L1326 HydrophobicContact CD1-CD1 3.72Å; Y1299-L1326 HydrophobicContact CE1-CD1 3.46Å; Y1299-L1326 VanDerWaalsContact CE1-CD1 3.46Å; Y1299-L1326 HydrophobicContact CE1-CD2 3.65Å; Y1299-L1326 HydrophobicContact CE1-CG 4.11Å |
| 1300 | Y | 71.8 | Confident | 69.7 | Low | 100 Ų | 100 | 71.7 Ų | 71.7 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 168.7 | -89 | -68.1 | 0 | 0 | 0 | 111.7 | L1296 N1297 Y1302 Q1303 E1304 Y1330 | L1296-Y1300 VanDerWaalsContact O-CD2 3.26Å; L1296-Y1300 WeakPolarHBondContact O-CD2 3.4Å; L1296-Y1300 PolarHBondContact O-N 3.34Å; N1297-Y1300 WeakPolarHBondContact O-CA 3.49Å; N1297-Y1300 WeakPolarHBondContact O-CB 3.4Å; N1297-Y1300 PolarHBondContact O-N 2.93Å; Y1300-Y1302 PolarHBondContact O-N 2.91Å; Y1300-Q1303 WeakPolarHBondContact O-CA 3.43Å; Y1300-Q1303 WeakPolarHBondContact O-CB 3.39Å; Y1300-Q1303 PolarHBondContact O-N 2.95Å; Y1300-E1304 PolarHBondContact O-N 3.23Å; Y1300-Y1330 HydrophobicContact CE2-CE1 4.49Å; Y1300-Y1330 WeakPolarHBondContact CE2-OH 3.1Å; Y1300-Y1330 PolarHBondContact OH-OH 3.44Å |
| 1301 | D | 69.4 | Low | 67 | Low | 102 Ų | 102 | 73.1 Ų | 73.1 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56 | -38.6 | 178.7 | -59.7 | -27.7 | 0 | 0 | 0 | 111.3 | N1297 I1298 S1305 | N1297-D1301 VanDerWaalsContact O-CG 3.28Å; N1297-D1301 PolarHBondContact O-N 3.14Å; I1298-D1301 PolarHBondContact O-N 3.13Å; D1301-S1305 WeakPolarHBondContact O-CB 3.26Å; D1301-S1305 PolarHBondContact O-N 2.9Å; D1301-S1305 VanDerWaalsContact O-N 3.08Å; D1301-S1305 PolarHBondContact O-OG 3.21Å |
| 1302 | Y | 66.4 | Low | 64.3 | Low | 103 Ų | 103 | 74.7 Ų | 74.7 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.8 | -30.2 | 175.7 | -169.6 | -94.8 | 0 | 0 | 0 | 113.3 | L1267 I1298 Y1300 S1305 N1306 F1310 | L1267-Y1302 HydrophobicContact CD1-CD2 4.45Å; L1267-Y1302 HydrophobicContact CD1-CE2 4.48Å; I1298-Y1302 VanDerWaalsContact O-CB 3.3Å; I1298-Y1302 WeakPolarHBondContact O-CB 3.43Å; I1298-Y1302 PolarHBondContact O-N 3.41Å; Y1300-Y1302 PolarHBondContact O-N 2.91Å; Y1302-S1305 WeakPolarHBondContact CA-OG 3.45Å; Y1302-S1305 PolarHBondContact O-OG 3.08Å; Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.38Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.39Å; Y1302-N1306 PolarHBondContact O-N 3.03Å; Y1302-N1306 PolarHBondContact O-ND2 3.29Å; Y1302-F1310 HydrophobicContact CE1-CE2 4.28Å; Y1302-F1310 AromaticContact CE1-CZ 3.93Å; Y1302-F1310 HydrophobicContact CE1-CZ 3.93Å |
| 1303 | Q | 63.8 | Low | 61.6 | Low | 81 Ų | 81 | 80.3 Ų | 80.3 | 38% | 0.379 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.7 | -43.3 | 173.1 | -74.9 | -164.7 | -2.2 | 0 | 0 | 112.4 | Y1299 Y1300 S1307 | Y1299-Q1303 HydrophobicContact CE1-CG 4.27Å; Y1299-Q1303 VanDerWaalsContact CZ-NE2 3.34Å; Y1299-Q1303 WeakPolarHBondContact O-CG 3.39Å; Y1299-Q1303 PolarHBondContact O-N 3.42Å; Y1299-Q1303 VanDerWaalsContact O-N 3.14Å; Y1299-Q1303 PolarHBondContact OH-NE2 2.96Å; Y1299-Q1303 VanDerWaalsContact OH-NE2 3.09Å; Y1300-Q1303 WeakPolarHBondContact O-CA 3.43Å; Y1300-Q1303 WeakPolarHBondContact O-CB 3.39Å; Y1300-Q1303 PolarHBondContact O-N 2.95Å; Q1303-S1307 PolarHBondContact O-N 3.42Å |
| 1304 | E | 60.1 | Low | 58.8 | Low | 147 Ų | 147 | 83 Ų | 83 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.8 | -48 | 179.6 | -65.7 | -160.7 | 160.5 | 0 | 0 | 111.6 | Y1300 N1306 S1307 | Y1300-E1304 PolarHBondContact O-N 3.23Å; E1304-N1306 VanDerWaalsContact C-N 3.32Å; E1304-N1306 PolarHBondContact O-N 2.82Å; E1304-S1307 VanDerWaalsContact O-CB 3.26Å; E1304-S1307 WeakPolarHBondContact O-CB 3.37Å; E1304-S1307 PolarHBondContact O-N 3.49Å; E1304-S1307 PolarHBondContact O-OG 3.48Å |
| 1305 | S | 59.3 | Low | 55.9 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.6 | -32.6 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | D1301 Y1302 | D1301-S1305 WeakPolarHBondContact O-CB 3.26Å; D1301-S1305 PolarHBondContact O-N 2.9Å; D1301-S1305 VanDerWaalsContact O-N 3.08Å; D1301-S1305 PolarHBondContact O-OG 3.21Å; Y1302-S1305 WeakPolarHBondContact CA-OG 3.45Å; Y1302-S1305 PolarHBondContact O-OG 3.08Å |
| 1306 | N | 53.6 | Low | 53.3 | Low | 40 Ų | 40 | 91.7 Ų | 91.7 | 21% | 0.214 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 5.4 | -179.3 | -71.5 | -79.3 | 0 | 0 | 0 | 114.7 | Y1302 E1304 N1308 E1309 F1310 | Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.38Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.39Å; Y1302-N1306 PolarHBondContact O-N 3.03Å; Y1302-N1306 PolarHBondContact O-ND2 3.29Å; E1304-N1306 VanDerWaalsContact C-N 3.32Å; E1304-N1306 PolarHBondContact O-N 2.82Å; N1306-N1308 PolarHBondContact O-N 2.8Å; N1306-E1309 PolarHBondContact O-N 3.36Å; N1306-F1310 HydrophobicContact CB-CD2 3.68Å; N1306-F1310 HydrophobicContact CB-CE2 3.83Å; N1306-F1310 HydrophobicContact CB-CG 4.48Å; N1306-F1310 PolarHBondContact O-N 3.2Å; N1306-F1310 VanDerWaalsContact O-N 3.12Å |
| 1307 | S | 46.8 | Very low | 50.9 | Low | 63 Ų | 63 | 96 Ų | 96 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -36.8 | -176.1 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | Q1303 E1304 | Q1303-S1307 PolarHBondContact O-N 3.42Å; E1304-S1307 VanDerWaalsContact O-CB 3.26Å; E1304-S1307 WeakPolarHBondContact O-CB 3.37Å; E1304-S1307 PolarHBondContact O-N 3.49Å; E1304-S1307 PolarHBondContact O-OG 3.48Å |
| 1308 | N | 42 | Very low | 49.3 | Very low | 155 Ų | 155 | 94.6 Ų | 94.6 | 83% | 0.829 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -19.6 | 179.2 | -72.5 | -51.2 | 0 | 0 | 0 | 115.2 | N1306 | N1306-N1308 PolarHBondContact O-N 2.8Š|
| 1309 | E | 41.4 | Very low | 47.9 | Very low | 105 Ų | 105 | 95.5 Ų | 95.5 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -24.3 | 179.6 | -83.2 | -129.5 | 162.1 | 0 | 0 | 113.8 | N1306 I1311 K1313 | N1306-E1309 PolarHBondContact O-N 3.36Å; E1309-I1311 PolarHBondContact O-N 2.93Å; E1309-K1313 IonicContact OE2-NZ 3.39Å; E1309-K1313 PolarHBondContact OE2-NZ 3.41Å |
| 1310 | F | 35.6 | Very low | 47.2 | Very low | 66 Ų | 66 | 101.4 Ų | 101.4 | 29% | 0.289 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -71.2 | -29 | -170.1 | -104.7 | -133.6 | 0 | 0 | 0 | 114.6 | Y1302 N1306 G1312 K1313 K1314 | Y1302-F1310 HydrophobicContact CE1-CE2 4.28Å; Y1302-F1310 AromaticContact CE1-CZ 3.93Å; Y1302-F1310 HydrophobicContact CE1-CZ 3.93Å; N1306-F1310 HydrophobicContact CB-CD2 3.68Å; N1306-F1310 HydrophobicContact CB-CE2 3.83Å; N1306-F1310 HydrophobicContact CB-CG 4.48Å; N1306-F1310 PolarHBondContact O-N 3.2Å; N1306-F1310 VanDerWaalsContact O-N 3.12Å; F1310-G1312 PolarHBondContact O-N 3.05Å; F1310-K1313 PolarHBondContact O-N 3.42Å; F1310-K1314 HydrophobicContact CD1-CD 4.44Å |
| 1311 | I | 34.5 | Very low | 46.6 | Very low | 153 Ų | 153 | 101.1 Ų | 101.1 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -62.7 | -30.6 | -175.9 | -58.5 | 175 | 0 | 0 | 0 | 111.7 | E1309 | E1309-I1311 PolarHBondContact O-N 2.93Š|
| 1312 | G | 31.3 | Very low | 46.5 | Very low | 76 Ų | 76 | 98.9 Ų | 98.9 | 78% | 0.784 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -87.2 | -1.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.9 | F1310 | F1310-G1312 PolarHBondContact O-N 3.05Š|
| 1313 | K | 32.9 | Very low | 46.9 | Very low | 117 Ų | 117 | 97.2 Ų | 97.2 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -11.6 | -166.5 | -66 | 170.1 | -169.2 | 166.7 | 0 | 116.1 | E1309 F1310 | E1309-K1313 IonicContact OE2-NZ 3.39Å; E1309-K1313 PolarHBondContact OE2-NZ 3.41Å; F1310-K1313 PolarHBondContact O-N 3.42Å |
| 1314 | K | 30.5 | Very low | 47.5 | Very low | 87 Ų | 87 | 95.4 Ų | 95.4 | 38% | 0.378 | 52% | 0.522 | S | S | . | . | trans | -111.6 | 92.8 | -173.6 | -71 | -171.3 | 174.9 | -170.6 | 0 | 112.8 | F1310 H1322 | F1310-K1314 HydrophobicContact CD1-CD 4.44Å; K1314-H1322 PolarHBondContact NZ-CD2 2.9Å; K1314-H1322 PolarHBondContact NZ-NE2 2.94Å | ||
| 1315 | Q | 26.5 | Very low | 48.4 | Very low | 196 Ų | 196 | 90.9 Ų | 90.9 | 92% | 0.916 | 50% | 0.502 | S | S | * | . | trans | -131.5 | 13.3 | 163.7 | -75.4 | -167 | -16 | 0 | 0 | 113.3 | ||||
| 1316 | T | 28.9 | Very low | 49.7 | Very low | 102 Ų | 102 | 87.2 Ų | 87.2 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -132 | 102.1 | -173.6 | 40.7 | 0 | 0 | 0 | 0 | 111.9 | S1318 | T1316-S1318 WeakPolarHBondContact O-CB 3.14Å; T1316-S1318 PolarHBondContact O-N 2.95Å; T1316-S1318 PolarHBondContact O-OG 3.08Å |
| 1317 | S | 35.9 | Very low | 51.2 | Low | 91 Ų | 91 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 45.7 | 24.5 | 155.7 | 67.8 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1318 | S | 49.6 | Very low | 53.1 | Low | 55 Ų | 55 | 83.6 Ų | 83.6 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | trans | -133.4 | 1.6 | -171.7 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | T1316 H1322 | T1316-S1318 WeakPolarHBondContact O-CB 3.14Å; T1316-S1318 PolarHBondContact O-N 2.95Å; T1316-S1318 PolarHBondContact O-OG 3.08Å; S1318-H1322 VanDerWaalsContact O-CB 3.26Å; S1318-H1322 WeakPolarHBondContact O-CB 3.4Å | ||
| 1319 | S | 51.7 | Low | 55.3 | Low | 63 Ų | 63 | 76.2 Ų | 76.2 | 44% | 0.441 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -82 | -44 | 173.3 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | H1322 N1323 | S1319-H1322 PolarHBondContact O-N 3.48Å; S1319-N1323 VanDerWaalsContact O-CG 3.32Å; S1319-N1323 PolarHBondContact O-N 3.13Å; S1319-N1323 PolarHBondContact O-OD1 3.42Å |
| 1320 | E | 58.2 | Low | 57.6 | Low | 141 Ų | 141 | 71.4 Ų | 71.4 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.2 | -53.5 | -173.4 | -64.4 | 173.6 | 170.8 | 0 | 0 | 112 | H1322 N1323 R1324 | E1320-H1322 PolarHBondContact O-N 3.42Å; E1320-N1323 PolarHBondContact O-N 2.89Å; E1320-R1324 WeakPolarHBondContact O-CB 3.26Å; E1320-R1324 PolarHBondContact O-N 3.38Å |
| 1321 | D | 59.7 | Low | 60.2 | Low | 94 Ų | 94 | 68.3 Ų | 68.3 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -32.3 | 177.8 | -65.5 | -27.8 | 0 | 0 | 0 | 112.6 | L1325 | D1321-L1325 WeakPolarHBondContact O-CG 3.48Å; D1321-L1325 PolarHBondContact O-N 2.95Å |
| 1322 | H | 67.4 | Low | 62.8 | Low | 55 Ų | 55 | 61.2 Ų | 61.2 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.6 | -44.2 | -178.1 | -167.8 | 58.9 | 0 | 0 | 0 | 111.6 | Y1299 K1314 S1318 S1319 E1320 R1324 L1325 L1326 | Y1299-H1322 AromaticContact CE2-CE1 3.76Å; Y1299-H1322 PolarHBondContact OH-CE1 3.05Å; Y1299-H1322 PolarHBondContact OH-NE2 3.28Å; K1314-H1322 PolarHBondContact NZ-CD2 2.9Å; K1314-H1322 PolarHBondContact NZ-NE2 2.94Å; S1318-H1322 VanDerWaalsContact O-CB 3.26Å; S1318-H1322 WeakPolarHBondContact O-CB 3.4Å; S1319-H1322 PolarHBondContact O-N 3.48Å; E1320-H1322 PolarHBondContact O-N 3.42Å; H1322-R1324 VanDerWaalsContact C-N 3.27Å; H1322-R1324 PolarHBondContact O-N 3.44Å; H1322-L1325 PolarHBondContact O-N 3.28Å; H1322-L1326 WeakPolarHBondContact O-CB 3.42Å; H1322-L1326 PolarHBondContact O-N 3.26Å |
| 1323 | N | 74.6 | Confident | 65.6 | Low | 67 Ų | 67 | 58.9 Ų | 58.9 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 171.3 | -70.8 | 6.1 | 0 | 0 | 0 | 111.2 | S1319 E1320 A1327 L1356 | S1319-N1323 VanDerWaalsContact O-CG 3.32Å; S1319-N1323 PolarHBondContact O-N 3.13Å; S1319-N1323 PolarHBondContact O-OD1 3.42Å; E1320-N1323 PolarHBondContact O-N 2.89Å; N1323-A1327 WeakPolarHBondContact O-CB 3.42Å; N1323-A1327 PolarHBondContact O-N 3.39Å; N1323-L1356 HydrophobicContact CB-CD2 4.33Å |
| 1324 | R | 76.3 | Confident | 68.4 | Low | 44 Ų | 44 | 53.3 Ų | 53.3 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -54.6 | 175.1 | -179.2 | -167.1 | 173.2 | 107.1 | 26.2 | 112.1 | D160 E1320 H1322 L1326 A1327 D1328 | D160-R1324 IonicContact OD2-CZ 3.75Å; D160-R1324 IonicContact OD2-NH1 3.78Å; D160-R1324 PolarHBondContact OD2-NH1 3Å; D160-R1324 IonicContact OD2-NH2 2.86Å; D160-R1324 PolarHBondContact OD2-NH2 3.3Å; E1320-R1324 WeakPolarHBondContact O-CB 3.26Å; E1320-R1324 PolarHBondContact O-N 3.38Å; H1322-R1324 VanDerWaalsContact C-N 3.27Å; H1322-R1324 PolarHBondContact O-N 3.44Å; R1324-L1326 PolarHBondContact O-N 3.38Å; R1324-A1327 WeakPolarHBondContact O-CB 3.42Å; R1324-A1327 PolarHBondContact O-N 3.04Å; R1324-A1327 VanDerWaalsContact O-N 3.08Å; R1324-D1328 PolarHBondContact O-N 3.47Å |
| 1325 | L | 80.5 | Confident | 71.2 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 179.1 | -77.2 | 169.1 | 0 | 0 | 0 | 112.1 | E1270 D1321 H1322 D1328 A1329 | E1270-L1325 HydrophobicContact CB-CD2 4.19Å; E1270-L1325 HydrophobicContact CG-CD2 4.4Å; D1321-L1325 WeakPolarHBondContact O-CG 3.48Å; D1321-L1325 PolarHBondContact O-N 2.95Å; H1322-L1325 PolarHBondContact O-N 3.28Å; L1325-D1328 PolarHBondContact O-N 3.32Å; L1325-A1329 PolarHBondContact O-N 2.9Å |
| 1326 | L | 85 | Confident | 74.2 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 174.5 | -175.3 | 62.2 | 0 | 0 | 0 | 112.3 | L1269 L1296 Y1299 H1322 R1324 A1329 Y1330 L1356 | L1269-L1326 HydrophobicContact CD1-CD1 4.4Å; L1296-L1326 HydrophobicContact CD2-CD1 3.88Å; Y1299-L1326 HydrophobicContact CD1-CD1 3.72Å; Y1299-L1326 HydrophobicContact CE1-CD1 3.46Å; Y1299-L1326 VanDerWaalsContact CE1-CD1 3.46Å; Y1299-L1326 HydrophobicContact CE1-CD2 3.65Å; Y1299-L1326 HydrophobicContact CE1-CG 4.11Å; H1322-L1326 WeakPolarHBondContact O-CB 3.42Å; H1322-L1326 PolarHBondContact O-N 3.26Å; R1324-L1326 PolarHBondContact O-N 3.38Å; L1326-A1329 WeakPolarHBondContact O-CB 3.34Å; L1326-A1329 PolarHBondContact O-N 3.17Å; L1326-Y1330 HydrophobicContact CD1-CD2 4.43Å; L1326-Y1330 HydrophobicContact CD1-CE2 3.71Å; L1326-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1326-Y1330 HydrophobicContact CG-CD2 4.26Å; L1326-Y1330 HydrophobicContact CG-CE2 3.7Å; L1326-Y1330 WeakPolarHBondContact O-CD2 3.44Å; L1326-Y1330 PolarHBondContact O-N 3.19Å; L1326-L1356 HydrophobicContact CB-CD1 4.13Å; L1326-L1356 HydrophobicContact CD2-CD1 3.78Å; L1326-L1356 HydrophobicContact CD2-CD2 4.14Å; L1326-L1356 HydrophobicContact CG-CD1 3.69Å |
| 1327 | A | 86.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1323 R1324 A1329 Y1330 D1331 A1353 L1356 N1357 Y1363 | N1323-A1327 WeakPolarHBondContact O-CB 3.42Å; N1323-A1327 PolarHBondContact O-N 3.39Å; R1324-A1327 WeakPolarHBondContact O-CB 3.42Å; R1324-A1327 PolarHBondContact O-N 3.04Å; R1324-A1327 VanDerWaalsContact O-N 3.08Å; A1327-A1329 VanDerWaalsContact C-N 3.26Å; A1327-A1329 PolarHBondContact O-N 3.29Å; A1327-Y1330 PolarHBondContact O-N 3.47Å; A1327-D1331 WeakPolarHBondContact O-CB 3.46Å; A1327-D1331 PolarHBondContact O-N 2.92Å; A1327-A1353 HydrophobicContact CB-CB 4.19Å; A1327-L1356 HydrophobicContact CB-CB 3.87Å; A1327-L1356 HydrophobicContact CB-CD1 4.37Å; A1327-N1357 HydrophobicContact CB-CB 4.31Å; A1327-Y1363 HydrophobicContact CB-CE2 3.91Å |
| 1328 | D | 85.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 35.2 Ų | 35.2 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -31.5 | 175 | -82.3 | -58.2 | 0 | 0 | 0 | 111.7 | I1273 R1324 L1325 C1332 K1362 Y1363 | I1273-D1328 HydrophobicContact CD1-CB 4.05Å; R1324-D1328 PolarHBondContact O-N 3.47Å; L1325-D1328 PolarHBondContact O-N 3.32Å; D1328-C1332 PolarHBondContact O-N 2.6Å; D1328-C1332 PolarHBondContact O-SG 3.44Å; D1328-K1362 IonicContact OD1-NZ 2.73Å; D1328-K1362 PolarHBondContact OD1-NZ 3.38Å; D1328-Y1363 VanDerWaalsContact CG-OH 3.3Å; D1328-Y1363 PolarHBondContact N-OH 3.26Å; D1328-Y1363 PolarHBondContact OD1-OH 3.28Å |
| 1329 | A | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1269 I1273 I1292 L1296 L1325 L1326 A1327 C1332 R1333 | L1269-A1329 HydrophobicContact CD2-CB 4.44Å; I1273-A1329 HydrophobicContact CD1-CB 4.06Å; I1273-A1329 HydrophobicContact CG1-CB 4.18Å; I1292-A1329 HydrophobicContact CD1-CB 4.23Å; L1296-A1329 HydrophobicContact CD2-CB 3.95Å; L1325-A1329 PolarHBondContact O-N 2.9Å; L1326-A1329 WeakPolarHBondContact O-CB 3.34Å; L1326-A1329 PolarHBondContact O-N 3.17Å; A1327-A1329 VanDerWaalsContact C-N 3.26Å; A1327-A1329 PolarHBondContact O-N 3.29Å; A1329-C1332 PolarHBondContact O-N 3.23Å; A1329-R1333 PolarHBondContact O-N 3.48Å; A1329-R1333 VanDerWaalsContact O-N 3.08Å |
| 1330 | Y | 90.5 | Very high | 83.1 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 173.5 | -72.1 | -62.5 | 0 | 0 | 0 | 112.2 | L1296 Y1300 L1326 A1327 C1332 R1333 A1334 D1349 T1352 L1356 | L1296-Y1330 HydrophobicContact CD1-CD1 3.99Å; L1296-Y1330 HydrophobicContact CD1-CE1 3.9Å; L1296-Y1330 HydrophobicContact CD2-CD1 4.4Å; L1296-Y1330 HydrophobicContact CD2-CE1 3.91Å; L1296-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1296-Y1330 HydrophobicContact CG-CE1 4.47Å; Y1300-Y1330 HydrophobicContact CE2-CE1 4.49Å; Y1300-Y1330 WeakPolarHBondContact CE2-OH 3.1Å; Y1300-Y1330 PolarHBondContact OH-OH 3.44Å; L1326-Y1330 HydrophobicContact CD1-CD2 4.43Å; L1326-Y1330 HydrophobicContact CD1-CE2 3.71Å; L1326-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1326-Y1330 HydrophobicContact CG-CD2 4.26Å; L1326-Y1330 HydrophobicContact CG-CE2 3.7Å; L1326-Y1330 WeakPolarHBondContact O-CD2 3.44Å; L1326-Y1330 PolarHBondContact O-N 3.19Å; A1327-Y1330 PolarHBondContact O-N 3.47Å; Y1330-C1332 VanDerWaalsContact C-N 3.33Å; Y1330-C1332 PolarHBondContact O-N 3.4Å; Y1330-R1333 PolarHBondContact O-N 2.92Å; Y1330-A1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-A1334 PolarHBondContact O-N 3.11Å; Y1330-D1349 HydrophobicContact CD1-CB 4.44Å; Y1330-T1352 VanDerWaalsContact CD2-OG1 3.29Å; Y1330-T1352 WeakPolarHBondContact CD2-OG1 3.46Å; Y1330-T1352 VanDerWaalsContact CG-OG1 3.22Å; Y1330-L1356 HydrophobicContact CD2-CD1 3.91Å; Y1330-L1356 HydrophobicContact CE2-CD1 3.94Å |
| 1331 | D | 89.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -45 | 174.2 | -175.5 | 58 | 0 | 0 | 0 | 111.5 | A1327 R1333 A1334 I1335 L1350 K1362 Y1363 N1366 | A1327-D1331 WeakPolarHBondContact O-CB 3.46Å; A1327-D1331 PolarHBondContact O-N 2.92Å; D1331-R1333 PolarHBondContact O-N 3.35Å; D1331-A1334 PolarHBondContact O-N 3.32Å; D1331-I1335 VanDerWaalsContact O-CD1 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.22Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.32Å; D1331-I1335 PolarHBondContact O-N 3.45Å; D1331-L1350 HydrophobicContact CB-CD2 4.4Å; D1331-L1350 VanDerWaalsContact OD1-CD2 3.27Å; D1331-L1350 WeakPolarHBondContact OD1-CD2 3.49Å; D1331-K1362 WeakPolarHBondContact OD2-CE 3.39Å; D1331-K1362 IonicContact OD2-NZ 3.55Å; D1331-K1362 PolarHBondContact OD2-NZ 3.18Å; D1331-Y1363 HydrophobicContact CB-CD1 3.75Å; D1331-Y1363 HydrophobicContact CB-CE1 3.62Å; D1331-N1366 PolarHBondContact OD1-ND2 2.91Å |
| 1332 | C | 89.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | M1277 D1328 A1329 Y1330 A1334 I1335 I1336 | M1277-C1332 VanDerWaalsContact CE-SG 3.56Å; D1328-C1332 PolarHBondContact O-N 2.6Å; D1328-C1332 PolarHBondContact O-SG 3.44Å; A1329-C1332 PolarHBondContact O-N 3.23Å; Y1330-C1332 VanDerWaalsContact C-N 3.33Å; Y1330-C1332 PolarHBondContact O-N 3.4Å; C1332-A1334 VanDerWaalsContact C-N 3.34Å; C1332-A1334 PolarHBondContact O-N 3.4Å; C1332-I1335 PolarHBondContact O-N 2.99Å; C1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; C1332-I1336 WeakPolarHBondContact O-CG1 3.12Å; C1332-I1336 PolarHBondContact O-N 3.41Å; C1332-I1336 VanDerWaalsContact O-N 3.17Å |
| 1333 | R | 91.6 | Very high | 86.9 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 11% | 0.106 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.4 | -171.2 | 169.3 | 70.4 | -177.7 | 6 | 111.9 | I1292 L1296 A1329 Y1330 D1331 I1336 Y1337 D1349 | I1292-R1333 HydrophobicContact CG1-CB 4.11Å; I1292-R1333 HydrophobicContact CG2-CB 3.75Å; I1292-R1333 HydrophobicContact CG2-CG 3.75Å; L1296-R1333 HydrophobicContact CD1-CB 4.35Å; A1329-R1333 PolarHBondContact O-N 3.48Å; A1329-R1333 VanDerWaalsContact O-N 3.08Å; Y1330-R1333 PolarHBondContact O-N 2.92Å; D1331-R1333 PolarHBondContact O-N 3.35Å; R1333-I1336 PolarHBondContact O-N 3.42Å; R1333-Y1337 HydrophobicContact CG-CD2 3.99Å; R1333-Y1337 HydrophobicContact CG-CE2 3.61Å; R1333-Y1337 WeakPolarHBondContact O-CD2 3.33Å; R1333-Y1337 PolarHBondContact O-N 3.25Å; R1333-D1349 WeakPolarHBondContact CB-OD2 3.37Å; R1333-D1349 VanDerWaalsContact CG-OD2 3.31Å; R1333-D1349 WeakPolarHBondContact CG-OD2 3.11Å; R1333-D1349 IonicContact CZ-OD1 2.75Å; R1333-D1349 IonicContact CZ-OD2 3.79Å; R1333-D1349 IonicContact NE-OD1 3.17Å; R1333-D1349 PolarHBondContact NE-OD1 3.4Å; R1333-D1349 IonicContact NE-OD2 3.39Å; R1333-D1349 PolarHBondContact NE-OD2 3.44Å; R1333-D1349 IonicContact NH2-OD1 3.93Å; R1333-D1349 PolarHBondContact NH2-OD1 2.88Å; R1333-D1349 IonicContact NH2-OD2 3.62Å |
| 1334 | A | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y1330 D1331 C1332 I1336 Y1337 L1338 A1346 D1349 L1350 | Y1330-A1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-A1334 PolarHBondContact O-N 3.11Å; D1331-A1334 PolarHBondContact O-N 3.32Å; C1332-A1334 VanDerWaalsContact C-N 3.34Å; C1332-A1334 PolarHBondContact O-N 3.4Å; A1334-I1336 VanDerWaalsContact C-N 3.33Å; A1334-I1336 PolarHBondContact O-N 3.22Å; A1334-Y1337 WeakPolarHBondContact O-CB 3.46Å; A1334-Y1337 PolarHBondContact O-N 3.41Å; A1334-L1338 WeakPolarHBondContact O-CG 3.13Å; A1334-L1338 PolarHBondContact O-N 3.02Å; A1334-A1346 HydrophobicContact CB-CB 3.97Å; A1334-A1346 VanDerWaalsContact O-CB 3.31Å; A1334-A1346 WeakPolarHBondContact O-CB 3.3Å; A1334-D1349 HydrophobicContact CB-CB 3.89Å; A1334-L1350 HydrophobicContact CB-CD1 3.68Å; A1334-L1350 HydrophobicContact CB-CD2 4.08Å; A1334-L1350 HydrophobicContact CB-CG 3.5Å |
| 1335 | I | 88.8 | Confident | 88.5 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.9 | -63.3 | 154.9 | 0 | 0 | 0 | 110.6 | L156 Q1280 D1331 C1332 L1338 Q1339 | L156-I1335 HydrophobicContact CD1-CD1 4.06Å; L156-I1335 HydrophobicContact CD2-CD1 3.49Å; L156-I1335 VanDerWaalsContact CD2-CD1 3.49Å; L156-I1335 HydrophobicContact CG-CD1 4.42Å; Q1280-I1335 VanDerWaalsContact NE2-CG2 3.27Å; D1331-I1335 VanDerWaalsContact O-CD1 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.22Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.32Å; D1331-I1335 PolarHBondContact O-N 3.45Å; C1332-I1335 PolarHBondContact O-N 2.99Å; I1335-L1338 PolarHBondContact O-N 3.27Å; I1335-Q1339 PolarHBondContact O-N 2.9Å |
| 1336 | I | 89.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 174.6 | -62.6 | 159.6 | 0 | 0 | 0 | 110.6 | Q1280 A1288 L1289 I1292 C1332 R1333 A1334 L1338 Q1339 L1340 | Q1280-I1336 HydrophobicContact CG-CG1 4.48Å; A1288-I1336 HydrophobicContact CB-CD1 3.69Å; A1288-I1336 HydrophobicContact CB-CG1 4.3Å; L1289-I1336 HydrophobicContact CB-CG2 3.89Å; L1289-I1336 HydrophobicContact CD1-CG2 4.45Å; I1292-I1336 HydrophobicContact CG2-CD1 4.21Å; C1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; C1332-I1336 WeakPolarHBondContact O-CG1 3.12Å; C1332-I1336 PolarHBondContact O-N 3.41Å; C1332-I1336 VanDerWaalsContact O-N 3.17Å; R1333-I1336 PolarHBondContact O-N 3.42Å; A1334-I1336 VanDerWaalsContact C-N 3.33Å; A1334-I1336 PolarHBondContact O-N 3.22Å; I1336-L1338 VanDerWaalsContact C-N 3.34Å; I1336-L1338 PolarHBondContact O-N 3.48Å; I1336-Q1339 PolarHBondContact O-N 3.09Å; I1336-L1340 HydrophobicContact CG2-CD1 3.85Å; I1336-L1340 HydrophobicContact CG2-CG 4.47Å; I1336-L1340 WeakPolarHBondContact O-CB 3.45Å; I1336-L1340 WeakPolarHBondContact O-CG 3.44Å; I1336-L1340 PolarHBondContact O-N 2.77Å |
| 1337 | Y | 91.5 | Very high | 89.4 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 172.5 | -78.4 | -44.2 | 0 | 0 | 0 | 112.8 | L1289 R1333 A1334 L1340 G1341 R1342 C1345 D1349 | L1289-Y1337 HydrophobicContact CD1-CD1 3.88Å; L1289-Y1337 HydrophobicContact CD1-CE1 3.64Å; R1333-Y1337 HydrophobicContact CG-CD2 3.99Å; R1333-Y1337 HydrophobicContact CG-CE2 3.61Å; R1333-Y1337 WeakPolarHBondContact O-CD2 3.33Å; R1333-Y1337 PolarHBondContact O-N 3.25Å; A1334-Y1337 WeakPolarHBondContact O-CB 3.46Å; A1334-Y1337 PolarHBondContact O-N 3.41Å; Y1337-L1340 CarbonylContact O-C 3.6Å; Y1337-L1340 PolarHBondContact O-N 3.08Å; Y1337-G1341 PolarHBondContact O-N 2.76Å; Y1337-R1342 HydrophobicContact CD1-CB 4.23Å; Y1337-R1342 PolarHBondContact O-N 2.92Å; Y1337-C1345 HydrophobicContact CD1-CB 4.02Å; Y1337-C1345 HydrophobicContact CD2-CB 3.56Å; Y1337-C1345 HydrophobicContact CE1-CB 4.12Å; Y1337-C1345 HydrophobicContact CE2-CB 3.66Å; Y1337-C1345 HydrophobicContact CG-CB 3.77Å; Y1337-D1349 VanDerWaalsContact CE2-OD2 3.3Å; Y1337-D1349 WeakPolarHBondContact CE2-OD2 3.45Å |
| 1338 | L | 87.8 | Confident | 89.7 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 175.3 | -71 | 170.8 | 0 | 0 | 0 | 112.4 | A1334 I1335 I1336 L1340 G1341 P1343 A1346 V1369 A1370 | A1334-L1338 WeakPolarHBondContact O-CG 3.13Å; A1334-L1338 PolarHBondContact O-N 3.02Å; I1335-L1338 PolarHBondContact O-N 3.27Å; I1336-L1338 VanDerWaalsContact C-N 3.34Å; I1336-L1338 PolarHBondContact O-N 3.48Å; L1338-L1340 VanDerWaalsContact C-N 3.27Å; L1338-L1340 PolarHBondContact O-N 2.78Å; L1338-G1341 PolarHBondContact O-N 2.68Å; L1338-P1343 HydrophobicContact CD2-CB 4.22Å; L1338-A1346 HydrophobicContact CD1-CB 4.36Å; L1338-A1346 HydrophobicContact CD2-CB 3.82Å; L1338-A1346 HydrophobicContact CG-CB 3.64Å; L1338-V1369 HydrophobicContact CD1-CG1 4.49Å; L1338-A1370 HydrophobicContact CD1-CB 4.23Å; L1338-A1370 HydrophobicContact CD2-CB 3.75Å; L1338-A1370 HydrophobicContact CG-CB 4.46Å |
| 1339 | Q | 85.2 | Confident | 90 | Very high | 91 Ų | 91 | 34.1 Ų | 34.1 | 43% | 0.425 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.5 | -23.9 | 176.1 | -70.6 | 179.1 | -34.8 | 0 | 0 | 112.9 | Q1280 L1285 I1335 I1336 | Q1280-Q1339 VanDerWaalsContact CG-OE1 3.22Å; L1285-Q1339 HydrophobicContact CD1-CB 3.85Å; L1285-Q1339 HydrophobicContact CD2-CB 4.2Å; L1285-Q1339 VanDerWaalsContact CD2-OE1 3.3Å; I1335-Q1339 PolarHBondContact O-N 2.9Å; I1336-Q1339 PolarHBondContact O-N 3.09Å |
| 1340 | L | 88.1 | Confident | 90.2 | Very high | 47 Ų | 47 | 34.1 Ų | 34.1 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.8 | 173 | -68.3 | 171.7 | 0 | 0 | 0 | 113.9 | L1285 L1289 I1336 Y1337 L1338 R1342 | L1285-L1340 HydrophobicContact CB-CD1 4.47Å; L1285-L1340 HydrophobicContact CB-CD2 3.79Å; L1285-L1340 HydrophobicContact CB-CG 4.13Å; L1285-L1340 HydrophobicContact CD1-CD2 4.06Å; L1285-L1340 HydrophobicContact CD1-CG 4.41Å; L1289-L1340 HydrophobicContact CB-CD1 4.3Å; L1289-L1340 HydrophobicContact CD1-CD1 3.45Å; L1289-L1340 VanDerWaalsContact CD1-CD1 3.45Å; I1336-L1340 HydrophobicContact CG2-CD1 3.85Å; I1336-L1340 HydrophobicContact CG2-CG 4.47Å; I1336-L1340 WeakPolarHBondContact O-CB 3.45Å; I1336-L1340 WeakPolarHBondContact O-CG 3.44Å; I1336-L1340 PolarHBondContact O-N 2.77Å; Y1337-L1340 CarbonylContact O-C 3.6Å; Y1337-L1340 PolarHBondContact O-N 3.08Å; L1338-L1340 VanDerWaalsContact C-N 3.27Å; L1338-L1340 PolarHBondContact O-N 2.78Å; L1340-R1342 PolarHBondContact O-N 3.3Å |
| 1341 | G | 85.8 | Confident | 90.4 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 64% | 0.639 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 23.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1337 L1338 P1343 | Y1337-G1341 PolarHBondContact O-N 2.76Å; L1338-G1341 PolarHBondContact O-N 2.68Å; G1341-P1343 WeakPolarHBondContact O-CD 3.43Å |
| 1342 | R | 91 | Very high | 90.3 | Very high | 133 Ų | 133 | 36.9 Ų | 36.9 | 50% | 0.502 | 20% | 0.198 | S | C | . | . | trans | -113.7 | 67.3 | -176.8 | -57.9 | -175.3 | -171.3 | -175 | 1.4 | 112.1 | Y1337 L1340 Q1344 C1345 A1346 | Y1337-R1342 HydrophobicContact CD1-CB 4.23Å; Y1337-R1342 PolarHBondContact O-N 2.92Å; L1340-R1342 PolarHBondContact O-N 3.3Å; R1342-Q1344 VanDerWaalsContact C-N 3.33Å; R1342-Q1344 PolarHBondContact O-N 3.35Å; R1342-C1345 HydrophobicContact CB-CB 4.46Å; R1342-C1345 PolarHBondContact O-N 3.39Å; R1342-A1346 PolarHBondContact O-N 3.22Å | ||
| 1343 | P | 89.4 | Confident | 90.4 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -32.3 | -171.7 | 26.9 | -35.6 | 0 | 0 | 0 | 113.7 | L1338 G1341 A1346 I1347 R1373 N1374 | L1338-P1343 HydrophobicContact CD2-CB 4.22Å; G1341-P1343 WeakPolarHBondContact O-CD 3.43Å; P1343-A1346 WeakPolarHBondContact O-CB 3.35Å; P1343-A1346 PolarHBondContact O-N 3.29Å; P1343-I1347 WeakPolarHBondContact O-CG1 3.27Å; P1343-I1347 PolarHBondContact O-N 3.43Å; P1343-R1373 HydrophobicContact CB-CB 4.12Å; P1343-N1374 HydrophobicContact CB-CB 4.07Å; P1343-N1374 HydrophobicContact CG-CB 4.28Å |
| 1344 | Q | 91.9 | Very high | 90.3 | Very high | 85 Ų | 85 | 36.5 Ų | 36.5 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -49.5 | 178.5 | -173.5 | 57.3 | 49.2 | 0 | 0 | 112.1 | R1342 A1346 I1347 D1348 N1374 | R1342-Q1344 VanDerWaalsContact C-N 3.33Å; R1342-Q1344 PolarHBondContact O-N 3.35Å; Q1344-A1346 PolarHBondContact O-N 3.3Å; Q1344-I1347 WeakPolarHBondContact O-CB 3.25Å; Q1344-I1347 PolarHBondContact O-N 2.79Å; Q1344-D1348 PolarHBondContact NE2-OD1 3.16Å; Q1344-D1348 VanDerWaalsContact O-CG 3.23Å; Q1344-D1348 PolarHBondContact O-N 3.43Å; Q1344-N1374 PolarHBondContact OE1-ND2 3.09Å; Q1344-N1374 VanDerWaalsContact OE1-ND2 3.09Å |
| 1345 | C | 91.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 45 Ų | 45 | 32% | 0.324 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -33.2 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | Y1337 R1342 D1349 | Y1337-C1345 HydrophobicContact CD1-CB 4.02Å; Y1337-C1345 HydrophobicContact CD2-CB 3.56Å; Y1337-C1345 HydrophobicContact CE1-CB 4.12Å; Y1337-C1345 HydrophobicContact CE2-CB 3.66Å; Y1337-C1345 HydrophobicContact CG-CB 3.77Å; R1342-C1345 HydrophobicContact CB-CB 4.46Å; R1342-C1345 PolarHBondContact O-N 3.39Å; C1345-D1349 PolarHBondContact O-N 2.83Å; C1345-D1349 VanDerWaalsContact O-N 3.15Å |
| 1346 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1334 L1338 R1342 P1343 Q1344 D1348 L1350 A1370 | A1334-A1346 HydrophobicContact CB-CB 3.97Å; A1334-A1346 VanDerWaalsContact O-CB 3.31Å; A1334-A1346 WeakPolarHBondContact O-CB 3.3Å; L1338-A1346 HydrophobicContact CD1-CB 4.36Å; L1338-A1346 HydrophobicContact CD2-CB 3.82Å; L1338-A1346 HydrophobicContact CG-CB 3.64Å; R1342-A1346 PolarHBondContact O-N 3.22Å; P1343-A1346 WeakPolarHBondContact O-CB 3.35Å; P1343-A1346 PolarHBondContact O-N 3.29Å; Q1344-A1346 PolarHBondContact O-N 3.3Å; A1346-D1348 VanDerWaalsContact C-N 3.32Å; A1346-D1348 PolarHBondContact O-N 3.38Å; A1346-L1350 VanDerWaalsContact O-CB 3.31Å; A1346-L1350 WeakPolarHBondContact O-CB 3.44Å; A1346-L1350 VanDerWaalsContact O-CD1 3.27Å; A1346-L1350 WeakPolarHBondContact O-CD1 3.38Å; A1346-L1350 VanDerWaalsContact O-CG 3.23Å; A1346-L1350 WeakPolarHBondContact O-CG 3.45Å; A1346-L1350 PolarHBondContact O-N 3.42Å; A1346-A1370 HydrophobicContact CB-CB 4.22Å |
| 1347 | I | 93.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 173.4 | -69.5 | 161.1 | 0 | 0 | 0 | 109.7 | P1343 Q1344 L1350 T1351 A1370 Y1371 N1374 | P1343-I1347 WeakPolarHBondContact O-CG1 3.27Å; P1343-I1347 PolarHBondContact O-N 3.43Å; Q1344-I1347 WeakPolarHBondContact O-CB 3.25Å; Q1344-I1347 PolarHBondContact O-N 2.79Å; I1347-L1350 PolarHBondContact O-N 3.3Å; I1347-T1351 HydrophobicContact CG2-CG2 4.4Å; I1347-T1351 WeakPolarHBondContact O-CG2 3.43Å; I1347-T1351 PolarHBondContact O-N 3.47Å; I1347-A1370 HydrophobicContact CG1-CB 3.65Å; I1347-Y1371 HydrophobicContact CB-CE1 4.43Å; I1347-Y1371 HydrophobicContact CD1-CD1 3.51Å; I1347-Y1371 HydrophobicContact CD1-CE1 3.82Å; I1347-Y1371 HydrophobicContact CD1-CG 4.36Å; I1347-Y1371 HydrophobicContact CG1-CD1 3.88Å; I1347-Y1371 HydrophobicContact CG1-CE1 3.99Å; I1347-Y1371 HydrophobicContact CG1-CG 4.44Å; I1347-Y1371 HydrophobicContact CG2-CD1 4.29Å; I1347-Y1371 HydrophobicContact CG2-CE1 3.53Å; I1347-N1374 HydrophobicContact CD1-CB 3.85Å; I1347-N1374 WeakPolarHBondContact CD1-ND2 3.45Å |
| 1348 | D | 92.7 | Very high | 88.5 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -52.2 | -177.1 | -58.4 | -32.6 | 0 | 0 | 0 | 110.8 | Q1344 A1346 L1350 T1351 T1352 | Q1344-D1348 PolarHBondContact NE2-OD1 3.16Å; Q1344-D1348 VanDerWaalsContact O-CG 3.23Å; Q1344-D1348 PolarHBondContact O-N 3.43Å; A1346-D1348 VanDerWaalsContact C-N 3.32Å; A1346-D1348 PolarHBondContact O-N 3.38Å; D1348-L1350 PolarHBondContact O-N 3.28Å; D1348-T1351 PolarHBondContact O-N 3.43Å; D1348-T1351 PolarHBondContact O-OG1 2.66Å; D1348-T1352 PolarHBondContact O-N 3.39Å |
| 1349 | D | 91.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 175.2 | -85.4 | -11.3 | 0 | 0 | 0 | 112.5 | Y1330 R1333 A1334 Y1337 C1345 T1351 T1352 A1353 | Y1330-D1349 HydrophobicContact CD1-CB 4.44Å; R1333-D1349 WeakPolarHBondContact CB-OD2 3.37Å; R1333-D1349 VanDerWaalsContact CG-OD2 3.31Å; R1333-D1349 WeakPolarHBondContact CG-OD2 3.11Å; R1333-D1349 IonicContact CZ-OD1 2.75Å; R1333-D1349 IonicContact CZ-OD2 3.79Å; R1333-D1349 IonicContact NE-OD1 3.17Å; R1333-D1349 PolarHBondContact NE-OD1 3.4Å; R1333-D1349 IonicContact NE-OD2 3.39Å; R1333-D1349 PolarHBondContact NE-OD2 3.44Å; R1333-D1349 IonicContact NH2-OD1 3.93Å; R1333-D1349 PolarHBondContact NH2-OD1 2.88Å; R1333-D1349 IonicContact NH2-OD2 3.62Å; A1334-D1349 HydrophobicContact CB-CB 3.89Å; Y1337-D1349 VanDerWaalsContact CE2-OD2 3.3Å; Y1337-D1349 WeakPolarHBondContact CE2-OD2 3.45Å; C1345-D1349 PolarHBondContact O-N 2.83Å; C1345-D1349 VanDerWaalsContact O-N 3.15Å; D1349-T1351 VanDerWaalsContact C-N 3.31Å; D1349-T1351 PolarHBondContact O-N 3.31Å; D1349-T1352 WeakPolarHBondContact O-CA 3.13Å; D1349-T1352 PolarHBondContact O-N 3.14Å; D1349-T1352 PolarHBondContact O-OG1 3.14Å; D1349-A1353 PolarHBondContact O-N 2.91Å |
| 1350 | L | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -27.7 | -179.4 | -71.7 | 160.3 | 0 | 0 | 0 | 112.7 | D1331 A1334 A1346 I1347 D1348 T1352 A1353 I1354 N1366 R1367 A1370 | D1331-L1350 HydrophobicContact CB-CD2 4.4Å; D1331-L1350 VanDerWaalsContact OD1-CD2 3.27Å; D1331-L1350 WeakPolarHBondContact OD1-CD2 3.49Å; A1334-L1350 HydrophobicContact CB-CD1 3.68Å; A1334-L1350 HydrophobicContact CB-CD2 4.08Å; A1334-L1350 HydrophobicContact CB-CG 3.5Å; A1346-L1350 VanDerWaalsContact O-CB 3.31Å; A1346-L1350 WeakPolarHBondContact O-CB 3.44Å; A1346-L1350 VanDerWaalsContact O-CD1 3.27Å; A1346-L1350 WeakPolarHBondContact O-CD1 3.38Å; A1346-L1350 VanDerWaalsContact O-CG 3.23Å; A1346-L1350 WeakPolarHBondContact O-CG 3.45Å; A1346-L1350 PolarHBondContact O-N 3.42Å; I1347-L1350 PolarHBondContact O-N 3.3Å; D1348-L1350 PolarHBondContact O-N 3.28Å; L1350-T1352 VanDerWaalsContact C-N 3.31Å; L1350-A1353 PolarHBondContact O-N 3.35Å; L1350-I1354 WeakPolarHBondContact O-CB 3.08Å; L1350-I1354 WeakPolarHBondContact O-CD1 3.27Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.43Å; L1350-I1354 PolarHBondContact O-N 3.22Å; L1350-N1366 HydrophobicContact CD1-CB 3.96Å; L1350-N1366 HydrophobicContact CD2-CB 3.82Å; L1350-R1367 HydrophobicContact CB-CB 3.89Å; L1350-R1367 HydrophobicContact CB-CG 3.92Å; L1350-R1367 HydrophobicContact CD1-CB 4.21Å; L1350-A1370 HydrophobicContact CD1-CB 4.26Å |
| 1351 | T | 93.1 | Very high | 87.3 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -32 | 168.2 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | I1347 D1348 D1349 R1355 | I1347-T1351 HydrophobicContact CG2-CG2 4.4Å; I1347-T1351 WeakPolarHBondContact O-CG2 3.43Å; I1347-T1351 PolarHBondContact O-N 3.47Å; D1348-T1351 PolarHBondContact O-N 3.43Å; D1348-T1351 PolarHBondContact O-OG1 2.66Å; D1349-T1351 VanDerWaalsContact C-N 3.31Å; D1349-T1351 PolarHBondContact O-N 3.31Å; T1351-R1355 WeakPolarHBondContact O-CD 3.45Å; T1351-R1355 WeakPolarHBondContact O-CG 3.27Å; T1351-R1355 PolarHBondContact O-N 2.9Å |
| 1352 | T | 89.5 | Confident | 87.2 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.6 | -40.9 | 173.7 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | Y1330 D1348 D1349 L1350 I1354 R1355 L1356 | Y1330-T1352 VanDerWaalsContact CD2-OG1 3.29Å; Y1330-T1352 WeakPolarHBondContact CD2-OG1 3.46Å; Y1330-T1352 VanDerWaalsContact CG-OG1 3.22Å; D1348-T1352 PolarHBondContact O-N 3.39Å; D1349-T1352 WeakPolarHBondContact O-CA 3.13Å; D1349-T1352 PolarHBondContact O-N 3.14Å; D1349-T1352 PolarHBondContact O-OG1 3.14Å; L1350-T1352 VanDerWaalsContact C-N 3.31Å; T1352-I1354 VanDerWaalsContact C-N 3.35Å; T1352-I1354 PolarHBondContact O-N 3.03Å; T1352-R1355 PolarHBondContact O-N 3.35Å; T1352-L1356 WeakPolarHBondContact O-CG 3.31Å; T1352-L1356 PolarHBondContact O-N 3.13Å |
| 1353 | A | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1327 D1349 L1350 L1356 N1357 Y1363 | A1327-A1353 HydrophobicContact CB-CB 4.19Å; D1349-A1353 PolarHBondContact O-N 2.91Å; L1350-A1353 PolarHBondContact O-N 3.35Å; A1353-L1356 PolarHBondContact O-N 3.44Å; A1353-N1357 PolarHBondContact O-N 3.44Å; A1353-Y1363 HydrophobicContact CB-CD1 4.37Å; A1353-Y1363 HydrophobicContact CB-CD2 4.3Å; A1353-Y1363 HydrophobicContact CB-CG 4.2Å |
| 1354 | I | 89.5 | Confident | 87.1 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 178.2 | -69.9 | 163.6 | 0 | 0 | 0 | 112.1 | L1350 T1352 L1356 N1357 H1358 Y1363 L1364 R1367 | L1350-I1354 WeakPolarHBondContact O-CB 3.08Å; L1350-I1354 WeakPolarHBondContact O-CD1 3.27Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.43Å; L1350-I1354 PolarHBondContact O-N 3.22Å; T1352-I1354 VanDerWaalsContact C-N 3.35Å; T1352-I1354 PolarHBondContact O-N 3.03Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.09Å; I1354-N1357 CarbonylContact O-C 3.46Å; I1354-N1357 VanDerWaalsContact O-C 3.29Å; I1354-N1357 PolarHBondContact O-N 3.37Å; I1354-H1358 WeakPolarHBondContact O-CA 3.5Å; I1354-H1358 PolarHBondContact O-N 2.91Å; I1354-Y1363 HydrophobicContact CG1-CD2 4.5Å; I1354-L1364 HydrophobicContact CD1-CD2 3.89Å; I1354-L1364 HydrophobicContact CD1-CG 4.32Å; I1354-R1367 HydrophobicContact CD1-CB 4.31Å; I1354-R1367 VanDerWaalsContact CD1-CZ 3.47Å |
| 1355 | R | 87.8 | Confident | 87 | Confident | 179 Ų | 179 | 42.7 Ų | 42.7 | 68% | 0.675 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.9 | -29.5 | 173 | -74 | 167.7 | -176 | 171.7 | 4.6 | 112.8 | T1351 T1352 H1358 | T1351-R1355 WeakPolarHBondContact O-CD 3.45Å; T1351-R1355 WeakPolarHBondContact O-CG 3.27Å; T1351-R1355 PolarHBondContact O-N 2.9Å; T1352-R1355 PolarHBondContact O-N 3.35Å; R1355-H1358 PolarHBondContact O-CE1 3.26Å |
| 1356 | L | 84.1 | Confident | 86.9 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -82.4 | -35.7 | 178.2 | -72.3 | 167.4 | 0 | 0 | 0 | 112.6 | N1323 L1326 A1327 Y1330 T1352 A1353 I1354 | N1323-L1356 HydrophobicContact CB-CD2 4.33Å; L1326-L1356 HydrophobicContact CB-CD1 4.13Å; L1326-L1356 HydrophobicContact CD2-CD1 3.78Å; L1326-L1356 HydrophobicContact CD2-CD2 4.14Å; L1326-L1356 HydrophobicContact CG-CD1 3.69Å; A1327-L1356 HydrophobicContact CB-CB 3.87Å; A1327-L1356 HydrophobicContact CB-CD1 4.37Å; Y1330-L1356 HydrophobicContact CD2-CD1 3.91Å; Y1330-L1356 HydrophobicContact CE2-CD1 3.94Å; T1352-L1356 WeakPolarHBondContact O-CG 3.31Å; T1352-L1356 PolarHBondContact O-N 3.13Å; A1353-L1356 PolarHBondContact O-N 3.44Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.09Å |
| 1357 | N | 78.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | trans | -142.8 | 98.6 | 176.2 | 175.4 | 13.4 | 0 | 0 | 0 | 111.5 | A1327 A1353 I1354 Y1359 Y1363 | A1327-N1357 HydrophobicContact CB-CB 4.31Å; A1353-N1357 PolarHBondContact O-N 3.44Å; I1354-N1357 CarbonylContact O-C 3.46Å; I1354-N1357 VanDerWaalsContact O-C 3.29Å; I1354-N1357 PolarHBondContact O-N 3.37Å; N1357-Y1359 PolarHBondContact O-N 3.42Å; N1357-Y1359 PolarHBondContact OD1-N 3.26Å; N1357-Y1363 HydrophobicContact CB-CE2 4.08Å | ||
| 1358 | H | 74.4 | Confident | 86.8 | Confident | 126 Ų | 126 | 43.2 Ų | 43.2 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19 | -171.3 | -63.4 | 86.6 | 0 | 0 | 0 | 115.4 | I1354 R1355 | I1354-H1358 WeakPolarHBondContact O-CA 3.5Å; I1354-H1358 PolarHBondContact O-N 2.91Å; R1355-H1358 PolarHBondContact O-CE1 3.26Å |
| 1359 | Y | 71.7 | Confident | 86.7 | Confident | 196 Ų | 196 | 40.9 Ų | 40.9 | 77% | 0.769 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 9.9 | -167.9 | -65.7 | -73.7 | 0 | 0 | 0 | 114.4 | N1357 | N1357-Y1359 PolarHBondContact O-N 3.42Å; N1357-Y1359 PolarHBondContact OD1-N 3.26Å |
| 1360 | S | 79.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | trans | -95.8 | 111.4 | -174.8 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | K1362 Y1363 | S1360-K1362 PolarHBondContact O-N 3.43Å; S1360-K1362 WeakPolarHBondContact OG-CB 3.03Å; S1360-Y1363 VanDerWaalsContact CB-CD2 3.44Å; S1360-Y1363 PolarHBondContact O-N 3.37Å | ||
| 1361 | A | 84.2 | Confident | 86.7 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 12% | 0.116 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -27.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L1364 V1365 A1387 L1390 D1391 | A1361-L1364 PolarHBondContact O-N 2.96Å; A1361-V1365 PolarHBondContact O-N 3.11Å; A1361-A1387 HydrophobicContact CB-CB 4.48Å; A1361-L1390 HydrophobicContact CB-CB 3.89Å; A1361-L1390 HydrophobicContact CB-CD1 4.46Å; A1361-D1391 HydrophobicContact CB-CB 4.11Å |
| 1362 | K | 83.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 19% | 0.191 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.6 | -54.5 | 179 | -174.8 | -162.9 | -172.2 | -142.7 | 0 | 111.6 | D1328 D1331 S1360 L1364 V1365 N1366 | D1328-K1362 IonicContact OD1-NZ 2.73Å; D1328-K1362 PolarHBondContact OD1-NZ 3.38Å; D1331-K1362 WeakPolarHBondContact OD2-CE 3.39Å; D1331-K1362 IonicContact OD2-NZ 3.55Å; D1331-K1362 PolarHBondContact OD2-NZ 3.18Å; S1360-K1362 PolarHBondContact O-N 3.43Å; S1360-K1362 WeakPolarHBondContact OG-CB 3.03Å; K1362-L1364 VanDerWaalsContact C-N 3.33Å; K1362-L1364 PolarHBondContact O-N 3.15Å; K1362-V1365 PolarHBondContact O-N 2.73Å; K1362-N1366 PolarHBondContact O-N 2.91Å |
| 1363 | Y | 88.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.8 | -33.1 | -176 | -49 | -40 | 0 | 0 | 0 | 112.1 | A1327 D1328 D1331 A1353 I1354 N1357 S1360 N1366 R1367 | A1327-Y1363 HydrophobicContact CB-CE2 3.91Å; D1328-Y1363 VanDerWaalsContact CG-OH 3.3Å; D1328-Y1363 PolarHBondContact N-OH 3.26Å; D1328-Y1363 PolarHBondContact OD1-OH 3.28Å; D1331-Y1363 HydrophobicContact CB-CD1 3.75Å; D1331-Y1363 HydrophobicContact CB-CE1 3.62Å; A1353-Y1363 HydrophobicContact CB-CD1 4.37Å; A1353-Y1363 HydrophobicContact CB-CD2 4.3Å; A1353-Y1363 HydrophobicContact CB-CG 4.2Å; I1354-Y1363 HydrophobicContact CG1-CD2 4.5Å; N1357-Y1363 HydrophobicContact CB-CE2 4.08Å; S1360-Y1363 VanDerWaalsContact CB-CD2 3.44Å; S1360-Y1363 PolarHBondContact O-N 3.37Å; Y1363-N1366 PolarHBondContact O-N 3.42Å; Y1363-R1367 WeakPolarHBondContact O-CB 3.09Å; Y1363-R1367 PolarHBondContact O-N 3.18Å |
| 1364 | L | 89.8 | Confident | 86.5 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 174.7 | -71.7 | 166.6 | 0 | 0 | 0 | 111.6 | I1354 A1361 K1362 R1367 G1368 D1383 N1386 A1387 L1390 | I1354-L1364 HydrophobicContact CD1-CD2 3.89Å; I1354-L1364 HydrophobicContact CD1-CG 4.32Å; A1361-L1364 PolarHBondContact O-N 2.96Å; K1362-L1364 VanDerWaalsContact C-N 3.33Å; K1362-L1364 PolarHBondContact O-N 3.15Å; L1364-R1367 PolarHBondContact O-N 2.99Å; L1364-G1368 PolarHBondContact O-N 3.44Å; L1364-D1383 HydrophobicContact CD2-CB 4.45Å; L1364-D1383 WeakPolarHBondContact CD2-OD1 3.37Å; L1364-N1386 HydrophobicContact CD1-CB 3.97Å; L1364-A1387 HydrophobicContact CB-CB 4.03Å; L1364-L1390 HydrophobicContact CD1-CD1 3.74Å |
| 1365 | V | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | A1361 K1362 R1367 G1368 V1369 F1384 A1387 N1394 L1396 A1397 | A1361-V1365 PolarHBondContact O-N 3.11Å; K1362-V1365 PolarHBondContact O-N 2.73Å; V1365-R1367 VanDerWaalsContact C-N 3.28Å; V1365-R1367 PolarHBondContact O-N 2.91Å; V1365-G1368 PolarHBondContact O-N 2.9Å; V1365-V1369 HydrophobicContact CG1-CG2 4.44Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.5Å; V1365-V1369 PolarHBondContact O-N 3.21Å; V1365-F1384 HydrophobicContact CG1-CE1 4.15Å; V1365-F1384 WeakPolarHBondContact O-CE1 3.34Å; V1365-A1387 HydrophobicContact CG2-CB 3.57Å; V1365-N1394 VanDerWaalsContact CG2-ND2 3.27Å; V1365-N1394 WeakPolarHBondContact CG2-ND2 3.42Å; V1365-L1396 HydrophobicContact CG1-CB 3.88Å; V1365-A1397 HydrophobicContact CG2-CB 3.88Å |
| 1366 | N | 89.4 | Confident | 86.6 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | -179.5 | -70.3 | -10.3 | 0 | 0 | 0 | 111.6 | D1331 L1350 K1362 Y1363 V1369 A1370 | D1331-N1366 PolarHBondContact OD1-ND2 2.91Å; L1350-N1366 HydrophobicContact CD1-CB 3.96Å; L1350-N1366 HydrophobicContact CD2-CB 3.82Å; K1362-N1366 PolarHBondContact O-N 2.91Å; Y1363-N1366 PolarHBondContact O-N 3.42Å; N1366-V1369 PolarHBondContact O-N 2.96Å; N1366-A1370 WeakPolarHBondContact O-CB 3.36Å; N1366-A1370 PolarHBondContact O-N 3.39Å |
| 1367 | R | 91.6 | Very high | 86.9 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.8 | -36.9 | 176.9 | -160.2 | 178.2 | 62.4 | -176.2 | 1.6 | 112.1 | L1350 I1354 Y1363 L1364 V1365 V1369 A1370 Y1371 D1383 | L1350-R1367 HydrophobicContact CB-CB 3.89Å; L1350-R1367 HydrophobicContact CB-CG 3.92Å; L1350-R1367 HydrophobicContact CD1-CB 4.21Å; I1354-R1367 HydrophobicContact CD1-CB 4.31Å; I1354-R1367 VanDerWaalsContact CD1-CZ 3.47Å; Y1363-R1367 WeakPolarHBondContact O-CB 3.09Å; Y1363-R1367 PolarHBondContact O-N 3.18Å; L1364-R1367 PolarHBondContact O-N 2.99Å; V1365-R1367 VanDerWaalsContact C-N 3.28Å; V1365-R1367 PolarHBondContact O-N 2.91Å; R1367-V1369 VanDerWaalsContact C-N 3.32Å; R1367-V1369 PolarHBondContact O-N 2.9Å; R1367-A1370 WeakPolarHBondContact O-CB 3.36Å; R1367-A1370 PolarHBondContact O-N 3.47Å; R1367-Y1371 HydrophobicContact CG-CD2 3.95Å; R1367-Y1371 HydrophobicContact CG-CE2 3.62Å; R1367-Y1371 WeakPolarHBondContact O-CB 3.48Å; R1367-Y1371 VanDerWaalsContact O-CD2 3.23Å; R1367-Y1371 WeakPolarHBondContact O-CD2 3.39Å; R1367-Y1371 PolarHBondContact O-N 2.98Å; R1367-D1383 IonicContact CZ-OD1 3.82Å; R1367-D1383 IonicContact CZ-OD2 2.69Å; R1367-D1383 IonicContact NE-OD1 2.75Å; R1367-D1383 IonicContact NE-OD2 2.78Å; R1367-D1383 PolarHBondContact NE-OD2 3.15Å; R1367-D1383 VanDerWaalsContact NH2-CG 3.31Å; R1367-D1383 IonicContact NH2-OD1 3.84Å; R1367-D1383 PolarHBondContact NH2-OD1 3.16Å; R1367-D1383 IonicContact NH2-OD2 3.46Å; R1367-D1383 PolarHBondContact NH2-OD2 3.46Å; R1367-D1383 VanDerWaalsContact NH2-OD2 3.12Å |
| 1368 | G | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1364 V1365 Y1371 F1372 A1380 | L1364-G1368 PolarHBondContact O-N 3.44Å; V1365-G1368 PolarHBondContact O-N 2.9Å; G1368-Y1371 PolarHBondContact O-N 2.96Å; G1368-F1372 VanDerWaalsContact O-CB 3.28Å; G1368-F1372 WeakPolarHBondContact O-CB 3.29Å; G1368-F1372 PolarHBondContact O-N 3.1Å; G1368-A1380 VanDerWaalsContact O-CB 3.32Å; G1368-A1380 WeakPolarHBondContact O-CB 3.48Å |
| 1369 | V | 90.5 | Very high | 88.3 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L1338 V1365 N1366 R1367 F1372 R1373 F1384 | L1338-V1369 HydrophobicContact CD1-CG1 4.49Å; V1365-V1369 HydrophobicContact CG1-CG2 4.44Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.5Å; V1365-V1369 PolarHBondContact O-N 3.21Å; N1366-V1369 PolarHBondContact O-N 2.96Å; R1367-V1369 VanDerWaalsContact C-N 3.32Å; R1367-V1369 PolarHBondContact O-N 2.9Å; V1369-F1372 PolarHBondContact O-N 3.04Å; V1369-R1373 WeakPolarHBondContact O-CB 3.37Å; V1369-R1373 WeakPolarHBondContact O-CG 3.35Å; V1369-R1373 PolarHBondContact O-N 3.26Å; V1369-F1384 HydrophobicContact CG2-CE1 4.04Å; V1369-F1384 HydrophobicContact CG2-CZ 3.91Å; V1369-F1384 VanDerWaalsContact N-CZ 3.35Å |
| 1370 | A | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1338 A1346 I1347 L1350 N1366 R1367 R1373 N1374 | L1338-A1370 HydrophobicContact CD1-CB 4.23Å; L1338-A1370 HydrophobicContact CD2-CB 3.75Å; L1338-A1370 HydrophobicContact CG-CB 4.46Å; A1346-A1370 HydrophobicContact CB-CB 4.22Å; I1347-A1370 HydrophobicContact CG1-CB 3.65Å; L1350-A1370 HydrophobicContact CD1-CB 4.26Å; N1366-A1370 WeakPolarHBondContact O-CB 3.36Å; N1366-A1370 PolarHBondContact O-N 3.39Å; R1367-A1370 WeakPolarHBondContact O-CB 3.36Å; R1367-A1370 PolarHBondContact O-N 3.47Å; A1370-R1373 PolarHBondContact O-N 2.94Å; A1370-N1374 WeakPolarHBondContact O-CB 3.31Å; A1370-N1374 PolarHBondContact O-N 3.31Å |
| 1371 | Y | 93.1 | Very high | 89.9 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 14% | 0.137 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 172.5 | -75.9 | -49.5 | 0 | 0 | 0 | 112.3 | I1347 R1367 G1368 R1373 N1374 H1375 Q1376 P1379 D1383 | I1347-Y1371 HydrophobicContact CB-CE1 4.43Å; I1347-Y1371 HydrophobicContact CD1-CD1 3.51Å; I1347-Y1371 HydrophobicContact CD1-CE1 3.82Å; I1347-Y1371 HydrophobicContact CD1-CG 4.36Å; I1347-Y1371 HydrophobicContact CG1-CD1 3.88Å; I1347-Y1371 HydrophobicContact CG1-CE1 3.99Å; I1347-Y1371 HydrophobicContact CG1-CG 4.44Å; I1347-Y1371 HydrophobicContact CG2-CD1 4.29Å; I1347-Y1371 HydrophobicContact CG2-CE1 3.53Å; R1367-Y1371 HydrophobicContact CG-CD2 3.95Å; R1367-Y1371 HydrophobicContact CG-CE2 3.62Å; R1367-Y1371 WeakPolarHBondContact O-CB 3.48Å; R1367-Y1371 VanDerWaalsContact O-CD2 3.23Å; R1367-Y1371 WeakPolarHBondContact O-CD2 3.39Å; R1367-Y1371 PolarHBondContact O-N 2.98Å; G1368-Y1371 PolarHBondContact O-N 2.96Å; Y1371-R1373 PolarHBondContact O-N 3.27Å; Y1371-N1374 CarbonylContact O-C 3.56Å; Y1371-N1374 WeakPolarHBondContact O-CA 3.47Å; Y1371-N1374 PolarHBondContact O-N 2.89Å; Y1371-N1374 VanDerWaalsContact O-N 3.07Å; Y1371-H1375 PolarHBondContact O-N 3.33Å; Y1371-Q1376 HydrophobicContact CD1-CB 4.02Å; Y1371-Q1376 WeakPolarHBondContact O-CA 3.34Å; Y1371-Q1376 PolarHBondContact O-N 2.72Å; Y1371-P1379 HydrophobicContact CD1-CB 3.82Å; Y1371-P1379 HydrophobicContact CD1-CG 4.48Å; Y1371-P1379 HydrophobicContact CD2-CB 3.56Å; Y1371-P1379 HydrophobicContact CE1-CB 3.96Å; Y1371-P1379 HydrophobicContact CE2-CB 3.69Å; Y1371-P1379 HydrophobicContact CG-CB 3.64Å; Y1371-D1383 WeakPolarHBondContact CE2-OD2 3.46Å |
| 1372 | F | 90.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.8 | -176.9 | -94.9 | 0 | 0 | 0 | 111.8 | G1368 V1369 N1374 H1375 L1377 A1380 L1403 I1404 H1407 | G1368-F1372 VanDerWaalsContact O-CB 3.28Å; G1368-F1372 WeakPolarHBondContact O-CB 3.29Å; G1368-F1372 PolarHBondContact O-N 3.1Å; V1369-F1372 PolarHBondContact O-N 3.04Å; F1372-N1374 VanDerWaalsContact C-N 3.27Å; F1372-N1374 PolarHBondContact O-N 3.23Å; F1372-H1375 PolarHBondContact O-N 3.48Å; F1372-H1375 VanDerWaalsContact O-N 3.17Å; F1372-L1377 HydrophobicContact CD2-CD2 3.84Å; F1372-L1377 HydrophobicContact CE2-CD2 4.06Å; F1372-A1380 HydrophobicContact CB-CB 4.23Å; F1372-L1403 HydrophobicContact CE2-CB 4.06Å; F1372-L1403 HydrophobicContact CZ-CB 3.93Å; F1372-L1403 HydrophobicContact CZ-CD1 4.3Å; F1372-I1404 HydrophobicContact CD2-CD1 4.27Å; F1372-I1404 HydrophobicContact CD2-CG1 3.64Å; F1372-I1404 HydrophobicContact CE2-CG1 3.81Å; F1372-H1407 AromaticContact CE2-CD2 3.7Å; F1372-H1407 AromaticContact CZ-CD2 3.72Å; F1372-H1407 AromaticContact CZ-NE2 3.59Å |
| 1373 | R | 87.3 | Confident | 90.7 | Very high | 182 Ų | 182 | 46.3 Ų | 46.3 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.5 | -22.8 | 174.1 | -73.6 | -71.1 | -173 | 158.7 | 0.8 | 113.8 | P1343 V1369 A1370 Y1371 H1375 | P1343-R1373 HydrophobicContact CB-CB 4.12Å; V1369-R1373 WeakPolarHBondContact O-CB 3.37Å; V1369-R1373 WeakPolarHBondContact O-CG 3.35Å; V1369-R1373 PolarHBondContact O-N 3.26Å; A1370-R1373 PolarHBondContact O-N 2.94Å; Y1371-R1373 PolarHBondContact O-N 3.27Å; R1373-H1375 VanDerWaalsContact C-N 3.3Å |
| 1374 | N | 89.6 | Confident | 90.9 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 12.5 | 174 | -146.5 | 28.5 | 0 | 0 | 0 | 112.8 | P1343 Q1344 I1347 A1370 Y1371 F1372 Q1376 | P1343-N1374 HydrophobicContact CB-CB 4.07Å; P1343-N1374 HydrophobicContact CG-CB 4.28Å; Q1344-N1374 PolarHBondContact OE1-ND2 3.09Å; Q1344-N1374 VanDerWaalsContact OE1-ND2 3.09Å; I1347-N1374 HydrophobicContact CD1-CB 3.85Å; I1347-N1374 WeakPolarHBondContact CD1-ND2 3.45Å; A1370-N1374 WeakPolarHBondContact O-CB 3.31Å; A1370-N1374 PolarHBondContact O-N 3.31Å; Y1371-N1374 CarbonylContact O-C 3.56Å; Y1371-N1374 WeakPolarHBondContact O-CA 3.47Å; Y1371-N1374 PolarHBondContact O-N 2.89Å; Y1371-N1374 VanDerWaalsContact O-N 3.07Å; F1372-N1374 VanDerWaalsContact C-N 3.27Å; F1372-N1374 PolarHBondContact O-N 3.23Å; N1374-Q1376 HydrophobicContact CB-CG 4.38Å; N1374-Q1376 PolarHBondContact ND2-NE2 2.92Å; N1374-Q1376 PolarHBondContact O-N 3.04Å; N1374-Q1376 VanDerWaalsContact O-N 3.09Å |
| 1375 | H | 87.5 | Confident | 90.9 | Very high | 165 Ų | 165 | 49.7 Ų | 49.7 | 76% | 0.764 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 12.6 | -172 | -59.7 | -79.5 | 0 | 0 | 0 | 115.8 | Y1371 F1372 R1373 L1377 | Y1371-H1375 PolarHBondContact O-N 3.33Å; F1372-H1375 PolarHBondContact O-N 3.48Å; F1372-H1375 VanDerWaalsContact O-N 3.17Å; R1373-H1375 VanDerWaalsContact C-N 3.3Å; H1375-L1377 VanDerWaalsContact C-N 3.32Å; H1375-L1377 PolarHBondContact O-N 2.98Å |
| 1376 | Q | 91.1 | Very high | 91 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | trans | -86.6 | 67.9 | 179.2 | -65.9 | -177.7 | 10.5 | 0 | 0 | 111 | Y1371 N1374 M1378 P1379 A1380 | Y1371-Q1376 HydrophobicContact CD1-CB 4.02Å; Y1371-Q1376 WeakPolarHBondContact O-CA 3.34Å; Y1371-Q1376 PolarHBondContact O-N 2.72Å; N1374-Q1376 HydrophobicContact CB-CG 4.38Å; N1374-Q1376 PolarHBondContact ND2-NE2 2.92Å; N1374-Q1376 PolarHBondContact O-N 3.04Å; N1374-Q1376 VanDerWaalsContact O-N 3.09Å; Q1376-M1378 VanDerWaalsContact C-N 3.31Å; Q1376-M1378 PolarHBondContact O-N 2.81Å; Q1376-P1379 HydrophobicContact CB-CG 4.22Å; Q1376-P1379 WeakPolarHBondContact O-CD 3.47Å; Q1376-A1380 PolarHBondContact O-N 3.21Å | ||
| 1377 | L | 90.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 51 Ų | 51 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -35.9 | -173.3 | -59.1 | 179.8 | 0 | 0 | 0 | 114.1 | F1372 H1375 A1380 M1381 I1404 H1407 | F1372-L1377 HydrophobicContact CD2-CD2 3.84Å; F1372-L1377 HydrophobicContact CE2-CD2 4.06Å; H1375-L1377 VanDerWaalsContact C-N 3.32Å; H1375-L1377 PolarHBondContact O-N 2.98Å; L1377-A1380 PolarHBondContact O-N 3.44Å; L1377-M1381 WeakPolarHBondContact O-CB 3.2Å; L1377-M1381 PolarHBondContact O-N 3.46Å; L1377-I1404 HydrophobicContact CB-CG2 4.31Å; L1377-I1404 HydrophobicContact CD2-CG1 4.34Å; L1377-H1407 HydrophobicContact CD1-CB 4.05Å |
| 1378 | M | 91.2 | Very high | 90.8 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 64% | 0.64 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69.5 | -51.3 | -177.8 | -72.9 | -63.4 | -68.2 | 0 | 0 | 113.2 | Q1376 A1380 M1381 I1382 | Q1376-M1378 VanDerWaalsContact C-N 3.31Å; Q1376-M1378 PolarHBondContact O-N 2.81Å; M1378-A1380 VanDerWaalsContact C-N 3.29Å; M1378-A1380 PolarHBondContact O-N 3.26Å; M1378-M1381 PolarHBondContact O-N 2.86Å; M1378-I1382 WeakPolarHBondContact O-CG1 3.41Å; M1378-I1382 PolarHBondContact O-N 2.91Å |
| 1379 | P | 92.1 | Very high | 90.6 | Very high | 46 Ų | 46 | 58 Ų | 58 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.2 | -41.9 | 167.4 | -29.7 | 36.3 | 0 | 0 | 0 | 113.7 | Y1371 Q1376 M1381 I1382 D1383 | Y1371-P1379 HydrophobicContact CD1-CB 3.82Å; Y1371-P1379 HydrophobicContact CD1-CG 4.48Å; Y1371-P1379 HydrophobicContact CD2-CB 3.56Å; Y1371-P1379 HydrophobicContact CE1-CB 3.96Å; Y1371-P1379 HydrophobicContact CE2-CB 3.69Å; Y1371-P1379 HydrophobicContact CG-CB 3.64Å; Q1376-P1379 HydrophobicContact CB-CG 4.22Å; Q1376-P1379 WeakPolarHBondContact O-CD 3.47Å; P1379-M1381 PolarHBondContact O-N 3.43Å; P1379-I1382 PolarHBondContact O-N 2.86Å; P1379-D1383 PolarHBondContact O-N 3.42Å; P1379-D1383 VanDerWaalsContact O-N 3.08Å |
| 1380 | A | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1368 F1372 Q1376 L1377 M1378 I1382 D1383 F1384 I1404 | G1368-A1380 VanDerWaalsContact O-CB 3.32Å; G1368-A1380 WeakPolarHBondContact O-CB 3.48Å; F1372-A1380 HydrophobicContact CB-CB 4.23Å; Q1376-A1380 PolarHBondContact O-N 3.21Å; L1377-A1380 PolarHBondContact O-N 3.44Å; M1378-A1380 VanDerWaalsContact C-N 3.29Å; M1378-A1380 PolarHBondContact O-N 3.26Å; A1380-I1382 VanDerWaalsContact C-N 3.29Å; A1380-I1382 PolarHBondContact O-N 2.97Å; A1380-D1383 PolarHBondContact O-N 3.18Å; A1380-F1384 HydrophobicContact CB-CD2 4.42Å; A1380-F1384 HydrophobicContact CB-CE2 4Å; A1380-F1384 WeakPolarHBondContact O-CD2 3.45Å; A1380-F1384 WeakPolarHBondContact O-CG 3.5Å; A1380-F1384 PolarHBondContact O-N 3.1Å; A1380-I1404 HydrophobicContact CB-CD1 3.8Å |
| 1381 | M | 92.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 177.9 | 177.2 | 58.5 | 73.3 | 0 | 0 | 112.8 | L1377 M1378 P1379 K1385 Q1401 I1404 Y1405 | L1377-M1381 WeakPolarHBondContact O-CB 3.2Å; L1377-M1381 PolarHBondContact O-N 3.46Å; M1378-M1381 PolarHBondContact O-N 2.86Å; P1379-M1381 PolarHBondContact O-N 3.43Å; M1381-K1385 HydrophobicContact CG-CD 4.28Å; M1381-K1385 WeakPolarHBondContact O-CB 3.21Å; M1381-K1385 VanDerWaalsContact O-CG 3.32Å; M1381-K1385 WeakPolarHBondContact O-CG 3.43Å; M1381-K1385 PolarHBondContact O-N 2.74Å; M1381-K1385 HydrophobicContact SD-CD 4.02Å; M1381-K1385 WeakPolarHBondContact SD-CE 3.44Å; M1381-K1385 HydrophobicContact SD-CG 4.27Å; M1381-Q1401 HydrophobicContact CE-CG 4.03Å; M1381-Q1401 HydrophobicContact SD-CG 3.97Å; M1381-I1404 HydrophobicContact CB-CD1 4.16Å; M1381-I1404 HydrophobicContact CE-CB 3.8Å; M1381-I1404 HydrophobicContact CE-CD1 4.38Å; M1381-I1404 HydrophobicContact CE-CG2 3.61Å; M1381-Y1405 HydrophobicContact CE-CD2 4.01Å; M1381-Y1405 HydrophobicContact CE-CE1 4.37Å; M1381-Y1405 HydrophobicContact CE-CE2 3.66Å; M1381-Y1405 HydrophobicContact SD-CE2 4.4Å |
| 1382 | I | 92.3 | Very high | 89.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.1 | -48.6 | 175.4 | -67.1 | 165.8 | 0 | 0 | 0 | 110.2 | M1378 P1379 A1380 F1384 K1385 N1386 | M1378-I1382 WeakPolarHBondContact O-CG1 3.41Å; M1378-I1382 PolarHBondContact O-N 2.91Å; P1379-I1382 PolarHBondContact O-N 2.86Å; A1380-I1382 VanDerWaalsContact C-N 3.29Å; A1380-I1382 PolarHBondContact O-N 2.97Å; I1382-F1384 PolarHBondContact O-N 3.19Å; I1382-K1385 PolarHBondContact O-N 3.17Å; I1382-N1386 PolarHBondContact O-N 3.28Å; I1382-N1386 PolarHBondContact O-ND2 3.42Å |
| 1383 | D | 91.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | -178.2 | -82.3 | -12.5 | 0 | 0 | 0 | 113.1 | L1364 R1367 Y1371 P1379 A1380 N1386 A1387 | L1364-D1383 HydrophobicContact CD2-CB 4.45Å; L1364-D1383 WeakPolarHBondContact CD2-OD1 3.37Å; R1367-D1383 IonicContact CZ-OD1 3.82Å; R1367-D1383 IonicContact CZ-OD2 2.69Å; R1367-D1383 IonicContact NE-OD1 2.75Å; R1367-D1383 IonicContact NE-OD2 2.78Å; R1367-D1383 PolarHBondContact NE-OD2 3.15Å; R1367-D1383 VanDerWaalsContact NH2-CG 3.31Å; R1367-D1383 IonicContact NH2-OD1 3.84Å; R1367-D1383 PolarHBondContact NH2-OD1 3.16Å; R1367-D1383 IonicContact NH2-OD2 3.46Å; R1367-D1383 PolarHBondContact NH2-OD2 3.46Å; R1367-D1383 VanDerWaalsContact NH2-OD2 3.12Å; Y1371-D1383 WeakPolarHBondContact CE2-OD2 3.46Å; P1379-D1383 PolarHBondContact O-N 3.42Å; P1379-D1383 VanDerWaalsContact O-N 3.08Å; A1380-D1383 PolarHBondContact O-N 3.18Å; D1383-N1386 PolarHBondContact O-N 3.43Å; D1383-A1387 WeakPolarHBondContact O-CB 3.41Å; D1383-A1387 PolarHBondContact O-N 3.02Å |
| 1384 | F | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 174.5 | -64.4 | -51 | 0 | 0 | 0 | 112.3 | V1365 V1369 A1380 I1382 A1387 I1388 A1397 H1400 I1404 | V1365-F1384 HydrophobicContact CG1-CE1 4.15Å; V1365-F1384 WeakPolarHBondContact O-CE1 3.34Å; V1369-F1384 HydrophobicContact CG2-CE1 4.04Å; V1369-F1384 HydrophobicContact CG2-CZ 3.91Å; V1369-F1384 VanDerWaalsContact N-CZ 3.35Å; A1380-F1384 HydrophobicContact CB-CD2 4.42Å; A1380-F1384 HydrophobicContact CB-CE2 4Å; A1380-F1384 WeakPolarHBondContact O-CD2 3.45Å; A1380-F1384 WeakPolarHBondContact O-CG 3.5Å; A1380-F1384 PolarHBondContact O-N 3.1Å; I1382-F1384 PolarHBondContact O-N 3.19Å; F1384-A1387 PolarHBondContact O-N 3.03Å; F1384-I1388 WeakPolarHBondContact O-CD1 3.42Å; F1384-I1388 VanDerWaalsContact O-CG1 3.29Å; F1384-I1388 WeakPolarHBondContact O-CG1 3.45Å; F1384-I1388 PolarHBondContact O-N 3.26Å; F1384-A1397 HydrophobicContact CB-CB 4.49Å; F1384-A1397 HydrophobicContact CD1-CB 4.26Å; F1384-H1400 HydrophobicContact CD1-CB 4.28Å; F1384-H1400 HydrophobicContact CD2-CB 4.02Å; F1384-H1400 HydrophobicContact CE1-CB 3.71Å; F1384-H1400 HydrophobicContact CE2-CB 3.42Å; F1384-H1400 VanDerWaalsContact CE2-CB 3.42Å; F1384-H1400 HydrophobicContact CG-CB 4.43Å; F1384-H1400 HydrophobicContact CZ-CB 3.22Å; F1384-H1400 AromaticContact CZ-CG 3.75Å; F1384-I1404 HydrophobicContact CD2-CD1 3.75Å; F1384-I1404 HydrophobicContact CE2-CD1 3.84Å |
| 1385 | K | 91.4 | Very high | 87.5 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.9 | -78.3 | 172.9 | 173.9 | 168.2 | 0 | 111.9 | M1381 I1382 I1388 Q1389 | M1381-K1385 HydrophobicContact CG-CD 4.28Å; M1381-K1385 WeakPolarHBondContact O-CB 3.21Å; M1381-K1385 VanDerWaalsContact O-CG 3.32Å; M1381-K1385 WeakPolarHBondContact O-CG 3.43Å; M1381-K1385 PolarHBondContact O-N 2.74Å; M1381-K1385 HydrophobicContact SD-CD 4.02Å; M1381-K1385 WeakPolarHBondContact SD-CE 3.44Å; M1381-K1385 HydrophobicContact SD-CG 4.27Å; I1382-K1385 PolarHBondContact O-N 3.17Å; K1385-I1388 PolarHBondContact O-N 3.02Å; K1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; K1385-Q1389 PolarHBondContact O-N 3.29Å; K1385-Q1389 VanDerWaalsContact O-N 3.09Å |
| 1386 | N | 90 | Very high | 87.1 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 175.9 | -64.9 | -20.2 | 0 | 0 | 0 | 111.7 | L1364 I1382 D1383 Q1389 L1390 | L1364-N1386 HydrophobicContact CD1-CB 3.97Å; I1382-N1386 PolarHBondContact O-N 3.28Å; I1382-N1386 PolarHBondContact O-ND2 3.42Å; D1383-N1386 PolarHBondContact O-N 3.43Å; N1386-Q1389 PolarHBondContact O-N 3.06Å; N1386-L1390 PolarHBondContact O-N 3.38Å |
| 1387 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1361 L1364 V1365 D1383 F1384 Q1389 L1390 D1391 A1397 | A1361-A1387 HydrophobicContact CB-CB 4.48Å; L1364-A1387 HydrophobicContact CB-CB 4.03Å; V1365-A1387 HydrophobicContact CG2-CB 3.57Å; D1383-A1387 WeakPolarHBondContact O-CB 3.41Å; D1383-A1387 PolarHBondContact O-N 3.02Å; F1384-A1387 PolarHBondContact O-N 3.03Å; A1387-Q1389 VanDerWaalsContact C-N 3.34Å; A1387-L1390 PolarHBondContact O-N 3.19Å; A1387-D1391 PolarHBondContact O-N 3.12Å; A1387-A1397 HydrophobicContact CB-CB 4.29Å |
| 1388 | I | 87.8 | Confident | 86.7 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -32.6 | 175.8 | -68.7 | 161.1 | 0 | 0 | 0 | 111.6 | F1384 K1385 L1390 D1391 S1392 A1397 Y1398 | F1384-I1388 WeakPolarHBondContact O-CD1 3.42Å; F1384-I1388 VanDerWaalsContact O-CG1 3.29Å; F1384-I1388 WeakPolarHBondContact O-CG1 3.45Å; F1384-I1388 PolarHBondContact O-N 3.26Å; K1385-I1388 PolarHBondContact O-N 3.02Å; I1388-L1390 VanDerWaalsContact C-N 3.31Å; I1388-D1391 CarbonylContact O-C 3.46Å; I1388-S1392 WeakPolarHBondContact O-CA 3.4Å; I1388-S1392 PolarHBondContact O-N 2.96Å; I1388-A1397 HydrophobicContact CD1-CB 3.99Å; I1388-A1397 HydrophobicContact CG1-CB 3.59Å; I1388-Y1398 HydrophobicContact CD1-CD1 3.69Å; I1388-Y1398 HydrophobicContact CD1-CE1 3.81Å; I1388-Y1398 HydrophobicContact CD1-CG 4.18Å; I1388-Y1398 HydrophobicContact CG1-CD1 4.37Å; I1388-Y1398 HydrophobicContact CG1-CE1 4.25Å; I1388-Y1398 HydrophobicContact CG1-CE2 4.49Å; I1388-Y1398 HydrophobicContact CG2-CE1 3.97Å; I1388-Y1398 HydrophobicContact CG2-CE2 4.44Å |
| 1389 | Q | 88.8 | Confident | 86.6 | Confident | 157 Ų | 157 | 44.4 Ų | 44.4 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.1 | -29.2 | 173.2 | -72.4 | 175.1 | 1.1 | 0 | 0 | 113 | K1385 N1386 A1387 | K1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; K1385-Q1389 PolarHBondContact O-N 3.29Å; K1385-Q1389 VanDerWaalsContact O-N 3.09Å; N1386-Q1389 PolarHBondContact O-N 3.06Å; A1387-Q1389 VanDerWaalsContact C-N 3.34Å |
| 1390 | L | 86.2 | Confident | 86.4 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -87.4 | -38.6 | 176.8 | -68.2 | 176.9 | 0 | 0 | 0 | 113.2 | A1361 L1364 N1386 A1387 I1388 | A1361-L1390 HydrophobicContact CB-CB 3.89Å; A1361-L1390 HydrophobicContact CB-CD1 4.46Å; L1364-L1390 HydrophobicContact CD1-CD1 3.74Å; N1386-L1390 PolarHBondContact O-N 3.38Å; A1387-L1390 PolarHBondContact O-N 3.19Å; I1388-L1390 VanDerWaalsContact C-N 3.31Å |
| 1391 | D | 78.7 | Confident | 86.3 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | trans | -136.6 | 97 | 173.7 | -177.8 | 4.6 | 0 | 0 | 0 | 110.6 | K158 A1361 A1387 I1388 T1393 N1394 | K158-D1391 IonicContact NZ-OD1 2.64Å; K158-D1391 IonicContact NZ-OD2 2.71Å; K158-D1391 PolarHBondContact NZ-OD2 3.02Å; A1361-D1391 HydrophobicContact CB-CB 4.11Å; A1387-D1391 PolarHBondContact O-N 3.12Å; I1388-D1391 CarbonylContact O-C 3.46Å; D1391-T1393 PolarHBondContact O-N 3.4Å; D1391-T1393 VanDerWaalsContact O-N 3.08Å; D1391-T1393 WeakPolarHBondContact OD1-CA 3.25Å; D1391-T1393 WeakPolarHBondContact OD1-CB 3.29Å; D1391-T1393 PolarHBondContact OD1-N 2.57Å; D1391-T1393 PolarHBondContact OD1-OG1 2.9Å; D1391-T1393 PolarHBondContact OD2-OG1 3.38Å; D1391-N1394 HydrophobicContact CB-CB 4.22Å; D1391-N1394 WeakPolarHBondContact O-CB 3.38Å; D1391-N1394 PolarHBondContact O-N 3.4Å; D1391-N1394 VanDerWaalsContact O-N 3.08Å | ||
| 1392 | S | 80.4 | Confident | 86.1 | Confident | 68 Ų | 68 | 43.6 Ų | 43.6 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.5 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | I1388 | I1388-S1392 WeakPolarHBondContact O-CA 3.4Å; I1388-S1392 PolarHBondContact O-N 2.96Å |
| 1393 | T | 76.5 | Confident | 86 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8.6 | 171 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | K158 D1391 H1395 | K158-T1393 PolarHBondContact NZ-OG1 3.45Å; D1391-T1393 PolarHBondContact O-N 3.4Å; D1391-T1393 VanDerWaalsContact O-N 3.08Å; D1391-T1393 WeakPolarHBondContact OD1-CA 3.25Å; D1391-T1393 WeakPolarHBondContact OD1-CB 3.29Å; D1391-T1393 PolarHBondContact OD1-N 2.57Å; D1391-T1393 PolarHBondContact OD1-OG1 2.9Å; D1391-T1393 PolarHBondContact OD2-OG1 3.38Å; T1393-H1395 PolarHBondContact O-CE1 3.05Å; T1393-H1395 PolarHBondContact O-N 3.18Å; T1393-H1395 VanDerWaalsContact O-N 3.09Å; T1393-H1395 PolarHBondContact O-ND1 2.97Å |
| 1394 | N | 77.2 | Confident | 85.9 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | trans | -81.6 | 90.3 | -172.3 | -164.8 | -25.6 | 0 | 0 | 0 | 113 | V1365 D1391 L1396 A1397 Y1398 | V1365-N1394 VanDerWaalsContact CG2-ND2 3.27Å; V1365-N1394 WeakPolarHBondContact CG2-ND2 3.42Å; D1391-N1394 HydrophobicContact CB-CB 4.22Å; D1391-N1394 WeakPolarHBondContact O-CB 3.38Å; D1391-N1394 PolarHBondContact O-N 3.4Å; D1391-N1394 VanDerWaalsContact O-N 3.08Å; N1394-L1396 VanDerWaalsContact C-N 3.31Å; N1394-L1396 PolarHBondContact O-N 2.96Å; N1394-L1396 PolarHBondContact OD1-N 3.41Å; N1394-A1397 HydrophobicContact CB-CB 4.21Å; N1394-A1397 PolarHBondContact O-N 3.06Å; N1394-A1397 PolarHBondContact OD1-N 3.46Å; N1394-Y1398 WeakPolarHBondContact O-CD2 3.48Å; N1394-Y1398 PolarHBondContact O-N 3.3Å | ||
| 1395 | H | 77.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 41.9 Ų | 41.9 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.2 | -39.7 | -178.4 | -48.2 | -42.4 | 0 | 0 | 0 | 113.5 | T1393 A1397 Y1398 Y1399 L1421 N1425 | T1393-H1395 PolarHBondContact O-CE1 3.05Å; T1393-H1395 PolarHBondContact O-N 3.18Å; T1393-H1395 VanDerWaalsContact O-N 3.09Å; T1393-H1395 PolarHBondContact O-ND1 2.97Å; H1395-A1397 VanDerWaalsContact C-N 3.31Å; H1395-A1397 PolarHBondContact O-N 2.95Å; H1395-Y1398 PolarHBondContact O-N 2.98Å; H1395-Y1399 WeakPolarHBondContact O-CB 3.33Å; H1395-Y1399 PolarHBondContact O-N 3.36Å; H1395-L1421 HydrophobicContact CB-CD1 4.3Å; H1395-L1421 VanDerWaalsContact O-CD1 3.28Å; H1395-L1421 WeakPolarHBondContact O-CD1 3.29Å; H1395-N1425 PolarHBondContact CE1-OD1 2.92Å |
| 1396 | L | 79.9 | Confident | 85.7 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -37.5 | -179.5 | -70.3 | 172.5 | 0 | 0 | 0 | 112.1 | N155 V1365 N1394 Y1399 H1400 | N155-L1396 HydrophobicContact CB-CD1 4.17Å; V1365-L1396 HydrophobicContact CG1-CB 3.88Å; N1394-L1396 VanDerWaalsContact C-N 3.31Å; N1394-L1396 PolarHBondContact O-N 2.96Å; N1394-L1396 PolarHBondContact OD1-N 3.41Å; L1396-Y1399 PolarHBondContact O-N 2.67Å; L1396-H1400 PolarHBondContact O-CD2 2.88Å; L1396-H1400 VanDerWaalsContact O-CD2 3.29Å; L1396-H1400 PolarHBondContact O-N 3.17Å |
| 1397 | A | 86.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1365 F1384 A1387 I1388 N1394 H1395 Q1401 | V1365-A1397 HydrophobicContact CG2-CB 3.88Å; F1384-A1397 HydrophobicContact CB-CB 4.49Å; F1384-A1397 HydrophobicContact CD1-CB 4.26Å; A1387-A1397 HydrophobicContact CB-CB 4.29Å; I1388-A1397 HydrophobicContact CD1-CB 3.99Å; I1388-A1397 HydrophobicContact CG1-CB 3.59Å; N1394-A1397 HydrophobicContact CB-CB 4.21Å; N1394-A1397 PolarHBondContact O-N 3.06Å; N1394-A1397 PolarHBondContact OD1-N 3.46Å; H1395-A1397 VanDerWaalsContact C-N 3.31Å; H1395-A1397 PolarHBondContact O-N 2.95Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.46Å; A1397-Q1401 PolarHBondContact O-N 3.35Å |
| 1398 | Y | 87.7 | Confident | 85.5 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.9 | -72.9 | -63.7 | 0 | 0 | 0 | 112.5 | I1388 N1394 H1395 Q1401 S1402 I1417 I1420 Y1424 | I1388-Y1398 HydrophobicContact CD1-CD1 3.69Å; I1388-Y1398 HydrophobicContact CD1-CE1 3.81Å; I1388-Y1398 HydrophobicContact CD1-CG 4.18Å; I1388-Y1398 HydrophobicContact CG1-CD1 4.37Å; I1388-Y1398 HydrophobicContact CG1-CE1 4.25Å; I1388-Y1398 HydrophobicContact CG1-CE2 4.49Å; I1388-Y1398 HydrophobicContact CG2-CE1 3.97Å; I1388-Y1398 HydrophobicContact CG2-CE2 4.44Å; N1394-Y1398 WeakPolarHBondContact O-CD2 3.48Å; N1394-Y1398 PolarHBondContact O-N 3.3Å; H1395-Y1398 PolarHBondContact O-N 2.98Å; Y1398-Q1401 PolarHBondContact O-N 2.98Å; Y1398-S1402 PolarHBondContact O-N 3.22Å; Y1398-I1417 HydrophobicContact CD1-CG2 4.04Å; Y1398-I1417 WeakPolarHBondContact O-CG2 3.42Å; Y1398-I1420 HydrophobicContact CD1-CG2 4.46Å; Y1398-I1420 HydrophobicContact CE1-CG2 4.05Å; Y1398-Y1424 AromaticContact CE2-CE2 3.96Å; Y1398-Y1424 HydrophobicContact CE2-CE2 3.96Å |
| 1399 | Y | 87.7 | Confident | 85.3 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 18% | 0.184 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -53.4 | 177 | 177.6 | -100 | 0 | 0 | 0 | 111.6 | H1395 L1396 Q1401 S1402 L1403 I1418 L1438 | H1395-Y1399 WeakPolarHBondContact O-CB 3.33Å; H1395-Y1399 PolarHBondContact O-N 3.36Å; L1396-Y1399 PolarHBondContact O-N 2.67Å; Y1399-Q1401 VanDerWaalsContact C-N 3.35Å; Y1399-Q1401 PolarHBondContact O-N 3.25Å; Y1399-S1402 PolarHBondContact O-N 3.34Å; Y1399-S1402 PolarHBondContact O-OG 3.14Å; Y1399-L1403 HydrophobicContact CD1-CD1 4.08Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.53Å; Y1399-L1403 HydrophobicContact CE1-CG 4.44Å; Y1399-L1403 PolarHBondContact O-N 3.25Å; Y1399-L1403 VanDerWaalsContact O-N 3.15Å; Y1399-I1418 HydrophobicContact CD2-CD1 4.27Å; Y1399-L1438 HydrophobicContact CD2-CD2 3.86Å; Y1399-L1438 HydrophobicContact CE2-CB 4.06Å; Y1399-L1438 HydrophobicContact CE2-CD2 3.47Å; Y1399-L1438 VanDerWaalsContact CE2-CD2 3.47Å; Y1399-L1438 HydrophobicContact CE2-CG 4.4Å |
| 1400 | H | 88.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -30.2 | 178.5 | -74.8 | -73.2 | 0 | 0 | 0 | 113.5 | F1384 L1396 S1402 L1403 I1404 | F1384-H1400 HydrophobicContact CD1-CB 4.28Å; F1384-H1400 HydrophobicContact CD2-CB 4.02Å; F1384-H1400 HydrophobicContact CE1-CB 3.71Å; F1384-H1400 HydrophobicContact CE2-CB 3.42Å; F1384-H1400 VanDerWaalsContact CE2-CB 3.42Å; F1384-H1400 HydrophobicContact CG-CB 4.43Å; F1384-H1400 HydrophobicContact CZ-CB 3.22Å; F1384-H1400 AromaticContact CZ-CG 3.75Å; L1396-H1400 PolarHBondContact O-CD2 2.88Å; L1396-H1400 VanDerWaalsContact O-CD2 3.29Å; L1396-H1400 PolarHBondContact O-N 3.17Å; H1400-S1402 VanDerWaalsContact C-N 3.35Å; H1400-L1403 PolarHBondContact O-N 3.28Å; H1400-I1404 WeakPolarHBondContact O-CG1 3.32Å; H1400-I1404 PolarHBondContact O-N 3Å; H1400-I1404 VanDerWaalsContact O-N 3.08Å |
| 1401 | Q | 90.1 | Very high | 85.4 | Confident | 18 Ų | 18 | 42 Ų | 42 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 170 | -172.2 | -173.4 | 9.2 | 0 | 0 | 111 | M1381 A1397 Y1398 Y1399 L1403 I1404 Y1405 I1417 | M1381-Q1401 HydrophobicContact CE-CG 4.03Å; M1381-Q1401 HydrophobicContact SD-CG 3.97Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.46Å; A1397-Q1401 PolarHBondContact O-N 3.35Å; Y1398-Q1401 PolarHBondContact O-N 2.98Å; Y1399-Q1401 VanDerWaalsContact C-N 3.35Å; Y1399-Q1401 PolarHBondContact O-N 3.25Å; Q1401-L1403 VanDerWaalsContact C-N 3.33Å; Q1401-L1403 PolarHBondContact O-N 3.38Å; Q1401-I1404 PolarHBondContact O-N 2.83Å; Q1401-Y1405 HydrophobicContact CG-CD2 4.02Å; Q1401-Y1405 HydrophobicContact CG-CE2 3.68Å; Q1401-Y1405 WeakPolarHBondContact O-CD2 3.32Å; Q1401-Y1405 PolarHBondContact O-N 3.43Å; Q1401-Y1405 VanDerWaalsContact O-N 3.11Å; Q1401-I1417 HydrophobicContact CG-CD1 4.01Å |
| 1402 | S | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -34.3 | 177.5 | 77.3 | 0 | 0 | 0 | 0 | 113.2 | Y1398 Y1399 H1400 Y1405 L1406 S1414 L1438 | Y1398-S1402 PolarHBondContact O-N 3.22Å; Y1399-S1402 PolarHBondContact O-N 3.34Å; Y1399-S1402 PolarHBondContact O-OG 3.14Å; H1400-S1402 VanDerWaalsContact C-N 3.35Å; S1402-Y1405 PolarHBondContact O-N 3.24Å; S1402-L1406 PolarHBondContact O-N 3.3Å; S1402-L1406 VanDerWaalsContact O-N 3.09Å; S1402-S1414 WeakPolarHBondContact CB-OG 3.44Å; S1402-S1414 WeakPolarHBondContact O-CB 3.26Å; S1402-S1414 PolarHBondContact O-OG 3.49Å; S1402-L1438 WeakPolarHBondContact OG-CD2 3.34Å |
| 1403 | L | 89.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 172.9 | -74.1 | 171.9 | 0 | 0 | 0 | 112.3 | F1372 Y1399 H1400 Q1401 Y1405 L1406 H1407 L1438 | F1372-L1403 HydrophobicContact CE2-CB 4.06Å; F1372-L1403 HydrophobicContact CZ-CB 3.93Å; F1372-L1403 HydrophobicContact CZ-CD1 4.3Å; Y1399-L1403 HydrophobicContact CD1-CD1 4.08Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.53Å; Y1399-L1403 HydrophobicContact CE1-CG 4.44Å; Y1399-L1403 PolarHBondContact O-N 3.25Å; Y1399-L1403 VanDerWaalsContact O-N 3.15Å; H1400-L1403 PolarHBondContact O-N 3.28Å; Q1401-L1403 VanDerWaalsContact C-N 3.33Å; Q1401-L1403 PolarHBondContact O-N 3.38Å; L1403-Y1405 VanDerWaalsContact C-N 3.31Å; L1403-Y1405 PolarHBondContact O-N 2.93Å; L1403-L1406 PolarHBondContact O-N 3.45Å; L1403-H1407 PolarHBondContact O-CD2 3.13Å; L1403-H1407 VanDerWaalsContact O-CD2 3.24Å; L1403-H1407 PolarHBondContact O-N 2.77Å; L1403-L1438 HydrophobicContact CD2-CD1 3.72Å; L1403-L1438 HydrophobicContact CD2-CD2 3.69Å; L1403-L1438 HydrophobicContact CD2-CG 4.4Å; L1403-L1438 HydrophobicContact CG-CD2 3.82Å |
| 1404 | I | 90.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.8 | -62.8 | 165.6 | 0 | 0 | 0 | 110.7 | F1372 L1377 A1380 M1381 F1384 H1400 Q1401 L1406 H1407 H1408 | F1372-I1404 HydrophobicContact CD2-CD1 4.27Å; F1372-I1404 HydrophobicContact CD2-CG1 3.64Å; F1372-I1404 HydrophobicContact CE2-CG1 3.81Å; L1377-I1404 HydrophobicContact CB-CG2 4.31Å; L1377-I1404 HydrophobicContact CD2-CG1 4.34Å; A1380-I1404 HydrophobicContact CB-CD1 3.8Å; M1381-I1404 HydrophobicContact CB-CD1 4.16Å; M1381-I1404 HydrophobicContact CE-CB 3.8Å; M1381-I1404 HydrophobicContact CE-CD1 4.38Å; M1381-I1404 HydrophobicContact CE-CG2 3.61Å; F1384-I1404 HydrophobicContact CD2-CD1 3.75Å; F1384-I1404 HydrophobicContact CE2-CD1 3.84Å; H1400-I1404 WeakPolarHBondContact O-CG1 3.32Å; H1400-I1404 PolarHBondContact O-N 3Å; H1400-I1404 VanDerWaalsContact O-N 3.08Å; Q1401-I1404 PolarHBondContact O-N 2.83Å; I1404-L1406 VanDerWaalsContact C-N 3.34Å; I1404-L1406 PolarHBondContact O-N 3.4Å; I1404-H1407 PolarHBondContact O-N 3.32Å; I1404-H1408 PolarHBondContact O-CD2 2.9Å; I1404-H1408 VanDerWaalsContact O-CD2 3.25Å; I1404-H1408 PolarHBondContact O-N 2.85Å; I1404-H1408 VanDerWaalsContact O-N 3.12Å |
| 1405 | Y | 90.8 | Very high | 87.4 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.2 | -79.2 | -64.9 | 0 | 0 | 0 | 112.8 | M1381 Q1401 S1402 L1403 H1408 G1409 Q1410 Q1413 I1417 | M1381-Y1405 HydrophobicContact CE-CD2 4.01Å; M1381-Y1405 HydrophobicContact CE-CE1 4.37Å; M1381-Y1405 HydrophobicContact CE-CE2 3.66Å; M1381-Y1405 HydrophobicContact SD-CE2 4.4Å; Q1401-Y1405 HydrophobicContact CG-CD2 4.02Å; Q1401-Y1405 HydrophobicContact CG-CE2 3.68Å; Q1401-Y1405 WeakPolarHBondContact O-CD2 3.32Å; Q1401-Y1405 PolarHBondContact O-N 3.43Å; Q1401-Y1405 VanDerWaalsContact O-N 3.11Å; S1402-Y1405 PolarHBondContact O-N 3.24Å; L1403-Y1405 VanDerWaalsContact C-N 3.31Å; L1403-Y1405 PolarHBondContact O-N 2.93Å; Y1405-H1408 PolarHBondContact O-N 3.47Å; Y1405-G1409 PolarHBondContact O-N 2.77Å; Y1405-Q1410 HydrophobicContact CD1-CB 3.91Å; Y1405-Q1410 PolarHBondContact O-N 2.76Å; Y1405-Q1413 HydrophobicContact CD1-CB 3.74Å; Y1405-Q1413 HydrophobicContact CE1-CB 4.05Å; Y1405-Q1413 HydrophobicContact CG-CB 4.03Å; Y1405-I1417 HydrophobicContact CD2-CD1 3.42Å; Y1405-I1417 VanDerWaalsContact CD2-CD1 3.42Å; Y1405-I1417 HydrophobicContact CE2-CD1 3.23Å |
| 1406 | L | 88.1 | Confident | 88 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 171.1 | -80.6 | 163.6 | 0 | 0 | 0 | 112.9 | S1402 L1403 I1404 H1408 G1409 S1414 L1438 I1442 I1445 | S1402-L1406 PolarHBondContact O-N 3.3Å; S1402-L1406 VanDerWaalsContact O-N 3.09Å; L1403-L1406 PolarHBondContact O-N 3.45Å; I1404-L1406 VanDerWaalsContact C-N 3.34Å; I1404-L1406 PolarHBondContact O-N 3.4Å; L1406-H1408 PolarHBondContact O-N 3.24Å; L1406-G1409 PolarHBondContact O-N 3.5Å; L1406-S1414 WeakPolarHBondContact CG-OG 3.43Å; L1406-L1438 HydrophobicContact CD1-CD1 3.58Å; L1406-L1438 HydrophobicContact CD1-CG 4.39Å; L1406-I1442 HydrophobicContact CD1-CD1 4.35Å; L1406-I1442 HydrophobicContact CD1-CG1 3.8Å; L1406-I1442 HydrophobicContact CD2-CG1 4.08Å; L1406-I1442 HydrophobicContact CG-CG1 4.26Å; L1406-I1445 HydrophobicContact CD2-CD1 4.03Å |
| 1407 | H | 85.8 | Confident | 88.4 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.3 | -20.9 | 175.7 | -83 | -71.8 | 0 | 0 | 0 | 113.8 | F1372 L1377 L1403 I1404 | F1372-H1407 AromaticContact CE2-CD2 3.7Å; F1372-H1407 AromaticContact CZ-CD2 3.72Å; F1372-H1407 AromaticContact CZ-NE2 3.59Å; L1377-H1407 HydrophobicContact CD1-CB 4.05Å; L1403-H1407 PolarHBondContact O-CD2 3.13Å; L1403-H1407 VanDerWaalsContact O-CD2 3.24Å; L1403-H1407 PolarHBondContact O-N 2.77Å; I1404-H1407 PolarHBondContact O-N 3.32Å |
| 1408 | H | 88.2 | Confident | 88.4 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 43% | 0.431 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 7.1 | 172.1 | -67.6 | -54.3 | 0 | 0 | 0 | 114 | I1404 Y1405 L1406 Q1410 | I1404-H1408 PolarHBondContact O-CD2 2.9Å; I1404-H1408 VanDerWaalsContact O-CD2 3.25Å; I1404-H1408 PolarHBondContact O-N 2.85Å; I1404-H1408 VanDerWaalsContact O-N 3.12Å; Y1405-H1408 PolarHBondContact O-N 3.47Å; L1406-H1408 PolarHBondContact O-N 3.24Å; H1408-Q1410 HydrophobicContact CB-CG 4.3Å; H1408-Q1410 PolarHBondContact O-N 3.48Å |
| 1409 | G | 84.1 | Confident | 88.4 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 9.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1405 L1406 I1411 | Y1405-G1409 PolarHBondContact O-N 2.77Å; L1406-G1409 PolarHBondContact O-N 3.5Å; G1409-I1411 VanDerWaalsContact C-N 3.26Å; G1409-I1411 PolarHBondContact O-N 3.01Å |
| 1410 | Q | 89.6 | Confident | 88.2 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | trans | -87.4 | 63.6 | -175.4 | -68.1 | 176.7 | -33.1 | 0 | 0 | 110.5 | Y1405 H1408 E1412 Q1413 S1414 | Y1405-Q1410 HydrophobicContact CD1-CB 3.91Å; Y1405-Q1410 PolarHBondContact O-N 2.76Å; H1408-Q1410 HydrophobicContact CB-CG 4.3Å; H1408-Q1410 PolarHBondContact O-N 3.48Å; Q1410-E1412 PolarHBondContact O-N 2.69Å; Q1410-Q1413 HydrophobicContact CB-CB 4.26Å; Q1410-Q1413 HydrophobicContact CB-CG 4.48Å; Q1410-Q1413 PolarHBondContact O-N 3.12Å; Q1410-Q1413 VanDerWaalsContact O-N 3.12Å; Q1410-S1414 PolarHBondContact O-N 3.36Å | ||
| 1411 | I | 87 | Confident | 87.8 | Confident | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.8 | -51.1 | -171.1 | -59.3 | 165.1 | 0 | 0 | 0 | 111.9 | G1409 Q1413 S1414 E1415 I1442 I1445 K1446 | G1409-I1411 VanDerWaalsContact C-N 3.26Å; G1409-I1411 PolarHBondContact O-N 3.01Å; I1411-Q1413 VanDerWaalsContact C-N 3.3Å; I1411-Q1413 PolarHBondContact O-N 3.39Å; I1411-S1414 WeakPolarHBondContact O-CB 3.44Å; I1411-S1414 PolarHBondContact O-N 3.03Å; I1411-S1414 VanDerWaalsContact O-N 3.16Å; I1411-E1415 PolarHBondContact O-N 3.07Å; I1411-I1442 HydrophobicContact CG2-CG2 4.08Å; I1411-I1445 HydrophobicContact CD1-CG2 3.79Å; I1411-I1445 HydrophobicContact CG1-CG2 4.23Å; I1411-K1446 HydrophobicContact CG2-CB 4.2Å |
| 1412 | E | 87.4 | Confident | 87.2 | Confident | 148 Ų | 148 | 46 Ų | 46 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.8 | -36.1 | -179.2 | -57 | -173.5 | 140.2 | 0 | 0 | 113.1 | Q1410 E1415 T1416 | Q1410-E1412 PolarHBondContact O-N 2.69Å; E1412-E1415 PolarHBondContact O-N 3.27Å; E1412-T1416 WeakPolarHBondContact O-CG2 3.19Å; E1412-T1416 PolarHBondContact O-N 3.46Å; E1412-T1416 PolarHBondContact O-OG1 3.42Å |
| 1413 | Q | 89.4 | Confident | 86.6 | Confident | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.1 | -35 | 178.9 | -60.9 | -174.1 | 7.1 | 0 | 0 | 110.6 | Y1405 Q1410 I1411 T1416 I1417 | Y1405-Q1413 HydrophobicContact CD1-CB 3.74Å; Y1405-Q1413 HydrophobicContact CE1-CB 4.05Å; Y1405-Q1413 HydrophobicContact CG-CB 4.03Å; Q1410-Q1413 HydrophobicContact CB-CB 4.26Å; Q1410-Q1413 HydrophobicContact CB-CG 4.48Å; Q1410-Q1413 PolarHBondContact O-N 3.12Å; Q1410-Q1413 VanDerWaalsContact O-N 3.12Å; I1411-Q1413 VanDerWaalsContact C-N 3.3Å; I1411-Q1413 PolarHBondContact O-N 3.39Å; Q1413-T1416 PolarHBondContact O-OG1 3.14Å; Q1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; Q1413-I1417 WeakPolarHBondContact O-CG1 3.36Å; Q1413-I1417 PolarHBondContact O-N 3.14Å |
| 1414 | S | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 169 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | S1402 L1406 Q1410 I1411 I1417 I1418 I1442 | S1402-S1414 WeakPolarHBondContact CB-OG 3.44Å; S1402-S1414 WeakPolarHBondContact O-CB 3.26Å; S1402-S1414 PolarHBondContact O-OG 3.49Å; L1406-S1414 WeakPolarHBondContact CG-OG 3.43Å; Q1410-S1414 PolarHBondContact O-N 3.36Å; I1411-S1414 WeakPolarHBondContact O-CB 3.44Å; I1411-S1414 PolarHBondContact O-N 3.03Å; I1411-S1414 VanDerWaalsContact O-N 3.16Å; S1414-I1417 PolarHBondContact O-N 3.45Å; S1414-I1418 PolarHBondContact O-N 3.19Å; S1414-I1442 WeakPolarHBondContact OG-CD1 3.44Å |
| 1415 | E | 88.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 179.9 | -166.6 | 176.5 | -173.5 | 0 | 0 | 112.6 | I1411 E1412 I1417 N1419 I1442 K1446 | I1411-E1415 PolarHBondContact O-N 3.07Å; E1412-E1415 PolarHBondContact O-N 3.27Å; E1415-I1417 VanDerWaalsContact C-N 3.32Å; E1415-I1417 PolarHBondContact O-N 3.5Å; E1415-N1419 VanDerWaalsContact O-CB 3.28Å; E1415-N1419 WeakPolarHBondContact O-CB 3.48Å; E1415-N1419 VanDerWaalsContact O-CG 3.24Å; E1415-N1419 PolarHBondContact O-N 2.9Å; E1415-N1419 PolarHBondContact O-ND2 2.7Å; E1415-N1419 VanDerWaalsContact O-ND2 3.09Å; E1415-I1442 HydrophobicContact CB-CG2 3.83Å; E1415-I1442 HydrophobicContact CG-CG2 4.12Å; E1415-K1446 VanDerWaalsContact CD-NZ 3.34Å; E1415-K1446 IonicContact OE1-NZ 3.49Å; E1415-K1446 PolarHBondContact OE1-NZ 2.93Å; E1415-K1446 IonicContact OE2-NZ 2.69Å; E1415-K1446 PolarHBondContact OE2-NZ 3.4Å |
| 1416 | T | 89.8 | Confident | 81.3 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 175.5 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | E1412 Q1413 N1419 I1420 | E1412-T1416 WeakPolarHBondContact O-CG2 3.19Å; E1412-T1416 PolarHBondContact O-N 3.46Å; E1412-T1416 PolarHBondContact O-OG1 3.42Å; Q1413-T1416 PolarHBondContact O-OG1 3.14Å; T1416-N1419 PolarHBondContact O-N 3.15Å; T1416-I1420 VanDerWaalsContact O-CG1 3.28Å; T1416-I1420 WeakPolarHBondContact O-CG1 3.2Å; T1416-I1420 PolarHBondContact O-N 3.2Å |
| 1417 | I | 87.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.8 | -40.5 | -179.9 | -70.5 | 165.1 | 0 | 0 | 0 | 112.4 | Y1398 Q1401 Y1405 Q1413 S1414 E1415 N1419 I1420 L1421 | Y1398-I1417 HydrophobicContact CD1-CG2 4.04Å; Y1398-I1417 WeakPolarHBondContact O-CG2 3.42Å; Q1401-I1417 HydrophobicContact CG-CD1 4.01Å; Y1405-I1417 HydrophobicContact CD2-CD1 3.42Å; Y1405-I1417 VanDerWaalsContact CD2-CD1 3.42Å; Y1405-I1417 HydrophobicContact CE2-CD1 3.23Å; Q1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; Q1413-I1417 WeakPolarHBondContact O-CG1 3.36Å; Q1413-I1417 PolarHBondContact O-N 3.14Å; S1414-I1417 PolarHBondContact O-N 3.45Å; E1415-I1417 VanDerWaalsContact C-N 3.32Å; E1415-I1417 PolarHBondContact O-N 3.5Å; I1417-N1419 VanDerWaalsContact C-N 3.28Å; I1417-N1419 PolarHBondContact O-N 2.97Å; I1417-I1420 WeakPolarHBondContact O-CB 3.26Å; I1417-I1420 PolarHBondContact O-N 3.32Å; I1417-L1421 PolarHBondContact O-N 3.07Å |
| 1418 | I | 87.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 175 | -147.8 | 72.3 | 0 | 0 | 0 | 110.8 | Y1399 S1414 L1421 L1422 L1438 R1439 I1442 | Y1399-I1418 HydrophobicContact CD2-CD1 4.27Å; S1414-I1418 PolarHBondContact O-N 3.19Å; I1418-L1421 PolarHBondContact O-N 3.37Å; I1418-L1422 VanDerWaalsContact O-CG 3.3Å; I1418-L1422 WeakPolarHBondContact O-CG 3.45Å; I1418-L1422 PolarHBondContact O-N 3.44Å; I1418-L1438 HydrophobicContact CD1-CB 4.44Å; I1418-L1438 HydrophobicContact CD1-CD2 3.98Å; I1418-L1438 HydrophobicContact CD1-CG 4.38Å; I1418-R1439 HydrophobicContact CG1-CB 4.49Å; I1418-R1439 HydrophobicContact CG2-CB 3.92Å; I1418-R1439 HydrophobicContact CG2-CG 3.79Å; I1418-I1442 HydrophobicContact CB-CD1 4.16Å; I1418-I1442 HydrophobicContact CG2-CD1 3.87Å |
| 1419 | N | 86.5 | Confident | 75.2 | Confident | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | 173.6 | -73.7 | -31.8 | 0 | 0 | 0 | 112.5 | E1415 T1416 I1417 L1422 N1423 R1439 | E1415-N1419 VanDerWaalsContact O-CB 3.28Å; E1415-N1419 WeakPolarHBondContact O-CB 3.48Å; E1415-N1419 VanDerWaalsContact O-CG 3.24Å; E1415-N1419 PolarHBondContact O-N 2.9Å; E1415-N1419 PolarHBondContact O-ND2 2.7Å; E1415-N1419 VanDerWaalsContact O-ND2 3.09Å; T1416-N1419 PolarHBondContact O-N 3.15Å; I1417-N1419 VanDerWaalsContact C-N 3.28Å; I1417-N1419 PolarHBondContact O-N 2.97Å; N1419-L1422 PolarHBondContact O-N 3.48Å; N1419-N1423 WeakPolarHBondContact O-CB 3.45Å; N1419-N1423 PolarHBondContact O-N 3.37Å; N1419-N1423 PolarHBondContact O-ND2 3.5Å; N1419-N1423 VanDerWaalsContact O-ND2 3.12Å; N1419-R1439 VanDerWaalsContact OD1-CD 3.23Å; N1419-R1439 WeakPolarHBondContact OD1-CD 3.43Å; N1419-R1439 PolarHBondContact OD1-NH1 2.65Å |
| 1420 | I | 83.9 | Confident | 73.5 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 34% | 0.344 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 169.4 | -75.2 | 163.2 | 0 | 0 | 0 | 110.4 | Y1398 T1416 I1417 L1422 N1423 Y1424 | Y1398-I1420 HydrophobicContact CD1-CG2 4.46Å; Y1398-I1420 HydrophobicContact CE1-CG2 4.05Å; T1416-I1420 VanDerWaalsContact O-CG1 3.28Å; T1416-I1420 WeakPolarHBondContact O-CG1 3.2Å; T1416-I1420 PolarHBondContact O-N 3.2Å; I1417-I1420 WeakPolarHBondContact O-CB 3.26Å; I1417-I1420 PolarHBondContact O-N 3.32Å; I1420-L1422 PolarHBondContact O-N 3.1Å; I1420-N1423 PolarHBondContact O-N 3.34Å; I1420-Y1424 HydrophobicContact CG2-CD2 4.1Å; I1420-Y1424 HydrophobicContact CG2-CE2 3.51Å; I1420-Y1424 WeakPolarHBondContact O-CD2 3.41Å; I1420-Y1424 PolarHBondContact O-N 3.24Å |
| 1421 | L | 79.9 | Confident | 71.8 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 176.9 | 176.5 | 157.5 | 0 | 0 | 0 | 111.7 | H1395 I1417 I1418 N1425 S1435 | H1395-L1421 HydrophobicContact CB-CD1 4.3Å; H1395-L1421 VanDerWaalsContact O-CD1 3.28Å; H1395-L1421 WeakPolarHBondContact O-CD1 3.29Å; I1417-L1421 PolarHBondContact O-N 3.07Å; I1418-L1421 PolarHBondContact O-N 3.37Å; L1421-N1425 PolarHBondContact O-ND2 3.34Å; L1421-N1425 PolarHBondContact O-OD1 3.31Å; L1421-S1435 WeakPolarHBondContact CD2-OG 3.35Å |
| 1422 | L | 79 | Confident | 70.8 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | -179.1 | -68.4 | 169.3 | 0 | 0 | 0 | 112.3 | I1418 N1419 I1420 Y1424 N1425 L1431 W1436 | I1418-L1422 VanDerWaalsContact O-CG 3.3Å; I1418-L1422 WeakPolarHBondContact O-CG 3.45Å; I1418-L1422 PolarHBondContact O-N 3.44Å; N1419-L1422 PolarHBondContact O-N 3.48Å; I1420-L1422 PolarHBondContact O-N 3.1Å; L1422-Y1424 VanDerWaalsContact C-N 3.33Å; L1422-Y1424 PolarHBondContact O-N 3.47Å; L1422-N1425 WeakPolarHBondContact O-CB 3.38Å; L1422-N1425 PolarHBondContact O-N 3.44Å; L1422-L1431 HydrophobicContact CD2-CD2 3.86Å; L1422-W1436 HydrophobicContact CD2-CD2 4.14Å; L1422-W1436 HydrophobicContact CD2-CG 4.44Å; L1422-W1436 HydrophobicContact CD2-CZ2 4.12Å |
| 1423 | N | 75.7 | Confident | 70.1 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69 | -23.7 | -179.5 | -77.9 | -25.3 | 0 | 0 | 0 | 114.3 | N1419 I1420 N1425 | N1419-N1423 WeakPolarHBondContact O-CB 3.45Å; N1419-N1423 PolarHBondContact O-N 3.37Å; N1419-N1423 PolarHBondContact O-ND2 3.5Å; N1419-N1423 VanDerWaalsContact O-ND2 3.12Å; I1420-N1423 PolarHBondContact O-N 3.34Å; N1423-N1425 PolarHBondContact O-N 2.9Å |
| 1424 | Y | 66.5 | Low | 69.6 | Low | 113 Ų | 113 | 53.1 Ų | 53.1 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.1 | 173.4 | -78.5 | -61.5 | 0 | 0 | 0 | 113.1 | Y1398 I1420 L1422 N1426 | Y1398-Y1424 AromaticContact CE2-CE2 3.96Å; Y1398-Y1424 HydrophobicContact CE2-CE2 3.96Å; I1420-Y1424 HydrophobicContact CG2-CD2 4.1Å; I1420-Y1424 HydrophobicContact CG2-CE2 3.51Å; I1420-Y1424 WeakPolarHBondContact O-CD2 3.41Å; I1420-Y1424 PolarHBondContact O-N 3.24Å; L1422-Y1424 VanDerWaalsContact C-N 3.33Å; L1422-Y1424 PolarHBondContact O-N 3.47Å; Y1424-N1426 VanDerWaalsContact C-N 3.27Å; Y1424-N1426 PolarHBondContact O-N 2.94Å |
| 1425 | N | 50.4 | Low | 69.2 | Low | 28 Ų | 28 | 53.3 Ų | 53.3 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 24.1 | -159 | -62.5 | -22.4 | 0 | 0 | 0 | 115.7 | H1395 L1421 L1422 N1423 Q1427 L1431 | H1395-N1425 PolarHBondContact CE1-OD1 2.92Å; L1421-N1425 PolarHBondContact O-ND2 3.34Å; L1421-N1425 PolarHBondContact O-OD1 3.31Å; L1422-N1425 WeakPolarHBondContact O-CB 3.38Å; L1422-N1425 PolarHBondContact O-N 3.44Å; N1423-N1425 PolarHBondContact O-N 2.9Å; N1425-Q1427 PolarHBondContact O-N 3.29Å; N1425-L1431 HydrophobicContact CB-CD2 3.7Å; N1425-L1431 HydrophobicContact CB-CG 4.13Å; N1425-L1431 VanDerWaalsContact ND2-CD2 3.26Å; N1425-L1431 WeakPolarHBondContact ND2-CD2 3.14Å |
| 1426 | N | 43.5 | Very low | 69.2 | Low | 157 Ų | 157 | 53.7 Ų | 53.7 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -70.5 | 9.7 | 167.7 | -101.7 | -43.2 | 0 | 0 | 0 | 113.6 | Y1424 | Y1424-N1426 VanDerWaalsContact C-N 3.27Å; Y1424-N1426 PolarHBondContact O-N 2.94Å |
| 1427 | Q | 42.8 | Very low | 69 | Low | 111 Ų | 111 | 50.5 Ų | 50.5 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -141.2 | 71.5 | -177.3 | -65.5 | -165.1 | -117.7 | 0 | 0 | 113.1 | N1425 I1429 | N1425-Q1427 PolarHBondContact O-N 3.29Å; Q1427-I1429 PolarHBondContact O-N 3.37Å |
| 1428 | S | 43.1 | Very low | 69 | Low | 65 Ų | 65 | 50 Ų | 50 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 55.8 | -2.8 | 149.5 | 76.9 | 0 | 0 | 0 | 0 | 121.7 | Q146 | Q146-S1428 WeakPolarHBondContact O-CB 3.12Å; Q146-S1428 PolarHBondContact O-OG 3.04Å |
| 1429 | I | 46.5 | Very low | 69.1 | Low | 108 Ų | 108 | 51.7 Ų | 51.7 | 55% | 0.554 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -96.4 | 135.2 | 175 | -61.9 | 177.5 | 0 | 0 | 0 | 109.6 | Q1427 L1431 | Q1427-I1429 PolarHBondContact O-N 3.37Å; I1429-L1431 PolarHBondContact O-N 3.42Å |
| 1430 | C | 49.9 | Very low | 69.3 | Low | 38 Ų | 38 | 49.8 Ų | 49.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -29 | 108.5 | -170.8 | -74.4 | 0 | 0 | 0 | 0 | 116.5 | D1432 | C1430-D1432 PolarHBondContact O-N 3.04Å; C1430-D1432 VanDerWaalsContact O-N 3.09Å | ||
| 1431 | L | 53.4 | Low | 69.5 | Low | 48 Ų | 48 | 49 Ų | 49 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | trans | -62.3 | 105.6 | 150.9 | -75.8 | 162.8 | 0 | 0 | 0 | 108.2 | L1422 N1425 I1429 W1436 L1477 | L1422-L1431 HydrophobicContact CD2-CD2 3.86Å; N1425-L1431 HydrophobicContact CB-CD2 3.7Å; N1425-L1431 HydrophobicContact CB-CG 4.13Å; N1425-L1431 VanDerWaalsContact ND2-CD2 3.26Å; N1425-L1431 WeakPolarHBondContact ND2-CD2 3.14Å; I1429-L1431 PolarHBondContact O-N 3.42Å; L1431-W1436 HydrophobicContact CD1-CZ2 4.44Å; L1431-W1436 HydrophobicContact CD2-CZ2 4.35Å; L1431-L1477 HydrophobicContact CB-CD1 3.66Å; L1431-L1477 HydrophobicContact CB-CD2 3.92Å; L1431-L1477 HydrophobicContact CB-CG 4.48Å; L1431-L1477 HydrophobicContact CD1-CD2 4.44Å | ||
| 1432 | D | 65.3 | Low | 70 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -68.9 | 126.1 | 171.9 | -92.6 | -27.9 | 0 | 0 | 0 | 109.6 | C1430 S1434 S1435 | C1430-D1432 PolarHBondContact O-N 3.04Å; C1430-D1432 VanDerWaalsContact O-N 3.09Å; D1432-S1434 PolarHBondContact O-N 3.34Å; D1432-S1434 VanDerWaalsContact O-N 3.08Å; D1432-S1435 PolarHBondContact O-N 3.05Å | ||
| 1433 | P | 73.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -22.4 | 179.2 | -21.7 | 32.5 | 0 | 0 | 0 | 113.1 | S1435 W1436 L1437 A1474 L1477 I1478 W1489 | P1433-S1435 VanDerWaalsContact C-N 3.27Å; P1433-S1435 PolarHBondContact O-N 3.47Å; P1433-W1436 PolarHBondContact O-N 3.15Å; P1433-L1437 WeakPolarHBondContact O-CB 3.49Å; P1433-L1437 PolarHBondContact O-N 3.08Å; P1433-A1474 HydrophobicContact CB-CB 4.13Å; P1433-L1477 HydrophobicContact CG-CB 4.09Å; P1433-I1478 HydrophobicContact CB-CD1 3.97Å; P1433-I1478 HydrophobicContact CB-CG1 4.04Å; P1433-I1478 HydrophobicContact CG-CD1 4.31Å; P1433-I1478 HydrophobicContact CG-CG1 3.84Å; P1433-W1489 HydrophobicContact CB-CH2 3.84Å; P1433-W1489 HydrophobicContact CB-CZ3 3.78Å; P1433-W1489 HydrophobicContact CG-CH2 4.39Å |
| 1434 | S | 77.9 | Confident | 71 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -28.1 | 174.7 | 54.1 | 0 | 0 | 0 | 0 | 113 | D1432 L1438 | D1432-S1434 PolarHBondContact O-N 3.34Å; D1432-S1434 VanDerWaalsContact O-N 3.08Å; S1434-L1438 WeakPolarHBondContact O-CB 3.26Å; S1434-L1438 PolarHBondContact O-N 2.9Å |
| 1435 | S | 83.3 | Confident | 72 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.7 | -39 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 112 | L1421 D1432 P1433 L1438 R1439 | L1421-S1435 WeakPolarHBondContact CD2-OG 3.35Å; D1432-S1435 PolarHBondContact O-N 3.05Å; P1433-S1435 VanDerWaalsContact C-N 3.27Å; P1433-S1435 PolarHBondContact O-N 3.47Å; S1435-L1438 PolarHBondContact O-N 3.28Å; S1435-R1439 PolarHBondContact O-N 3.42Å |
| 1436 | W | 86.5 | Confident | 73.7 | Confident | 35 Ų | 35 | 43 Ų | 43 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -46.2 | 171.6 | -68.9 | 97.5 | 0 | 0 | 0 | 111.5 | L1422 L1431 P1433 L1438 R1439 S1440 D1470 Q1473 A1474 L1477 | L1422-W1436 HydrophobicContact CD2-CD2 4.14Å; L1422-W1436 HydrophobicContact CD2-CG 4.44Å; L1422-W1436 HydrophobicContact CD2-CZ2 4.12Å; L1431-W1436 HydrophobicContact CD1-CZ2 4.44Å; L1431-W1436 HydrophobicContact CD2-CZ2 4.35Å; P1433-W1436 PolarHBondContact O-N 3.15Å; W1436-L1438 VanDerWaalsContact C-N 3.28Å; W1436-L1438 PolarHBondContact O-N 2.91Å; W1436-R1439 VanDerWaalsContact CZ3-NH2 3.28Å; W1436-R1439 PolarHBondContact O-N 3.48Å; W1436-R1439 VanDerWaalsContact O-N 3.11Å; W1436-S1440 PolarHBondContact O-N 3.47Å; W1436-D1470 HydrophobicContact CE3-CB 4.31Å; W1436-Q1473 HydrophobicContact CD2-CB 3.58Å; W1436-Q1473 HydrophobicContact CD2-CG 4.37Å; W1436-Q1473 HydrophobicContact CE3-CB 3.5Å; W1436-Q1473 HydrophobicContact CE3-CG 3.9Å; W1436-Q1473 HydrophobicContact CG-CB 4.13Å; W1436-Q1473 HydrophobicContact CH2-CB 4.14Å; W1436-Q1473 HydrophobicContact CH2-CG 3.9Å; W1436-Q1473 HydrophobicContact CZ2-CB 4.22Å; W1436-Q1473 HydrophobicContact CZ2-CG 4.38Å; W1436-Q1473 HydrophobicContact CZ3-CB 3.78Å; W1436-Q1473 HydrophobicContact CZ3-CG 3.62Å; W1436-A1474 HydrophobicContact CB-CB 4.07Å; W1436-L1477 VanDerWaalsContact CD1-CD1 3.47Å; W1436-L1477 HydrophobicContact CG-CD1 4.49Å |
| 1437 | L | 87.3 | Confident | 75.6 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -44 | 173.3 | -178.4 | 61.8 | 0 | 0 | 0 | 111.1 | P1433 R1439 S1440 I1441 W1489 H1491 L1492 T1495 | P1433-L1437 WeakPolarHBondContact O-CB 3.49Å; P1433-L1437 PolarHBondContact O-N 3.08Å; L1437-R1439 PolarHBondContact O-N 3.14Å; L1437-S1440 PolarHBondContact O-N 3.18Å; L1437-S1440 PolarHBondContact O-OG 2.77Å; L1437-I1441 HydrophobicContact CG-CD1 4.17Å; L1437-I1441 WeakPolarHBondContact O-CG1 3.26Å; L1437-I1441 PolarHBondContact O-N 2.97Å; L1437-W1489 HydrophobicContact CD2-CE3 4.01Å; L1437-W1489 HydrophobicContact CD2-CZ3 4.06Å; L1437-H1491 HydrophobicContact CD2-CB 4.4Å; L1437-L1492 HydrophobicContact CD1-CB 4.25Å; L1437-L1492 HydrophobicContact CD1-CG 4.46Å; L1437-T1495 HydrophobicContact CD1-CG2 4.12Å; L1437-T1495 WeakPolarHBondContact CD1-OG1 3.44Å |
| 1438 | L | 87.6 | Confident | 77.5 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 177.7 | -172.7 | 55.1 | 0 | 0 | 0 | 112.3 | Y1399 S1402 L1403 L1406 I1418 S1434 S1435 W1436 I1441 I1442 | Y1399-L1438 HydrophobicContact CD2-CD2 3.86Å; Y1399-L1438 HydrophobicContact CE2-CB 4.06Å; Y1399-L1438 HydrophobicContact CE2-CD2 3.47Å; Y1399-L1438 VanDerWaalsContact CE2-CD2 3.47Å; Y1399-L1438 HydrophobicContact CE2-CG 4.4Å; S1402-L1438 WeakPolarHBondContact OG-CD2 3.34Å; L1403-L1438 HydrophobicContact CD2-CD1 3.72Å; L1403-L1438 HydrophobicContact CD2-CD2 3.69Å; L1403-L1438 HydrophobicContact CD2-CG 4.4Å; L1403-L1438 HydrophobicContact CG-CD2 3.82Å; L1406-L1438 HydrophobicContact CD1-CD1 3.58Å; L1406-L1438 HydrophobicContact CD1-CG 4.39Å; I1418-L1438 HydrophobicContact CD1-CB 4.44Å; I1418-L1438 HydrophobicContact CD1-CD2 3.98Å; I1418-L1438 HydrophobicContact CD1-CG 4.38Å; S1434-L1438 WeakPolarHBondContact O-CB 3.26Å; S1434-L1438 PolarHBondContact O-N 2.9Å; S1435-L1438 PolarHBondContact O-N 3.28Å; W1436-L1438 VanDerWaalsContact C-N 3.28Å; W1436-L1438 PolarHBondContact O-N 2.91Å; L1438-I1441 PolarHBondContact O-N 3.43Å; L1438-I1442 HydrophobicContact CG-CD1 4.19Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.38Å; L1438-I1442 VanDerWaalsContact O-CG1 3.25Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.5Å; L1438-I1442 PolarHBondContact O-N 3.15Å |
| 1439 | R | 89 | Confident | 79.1 | Confident | 35 Ų | 35 | 35.8 Ų | 35.8 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 172.3 | -164 | 171.6 | 71.2 | 179.8 | 1.5 | 112.7 | I1418 N1419 S1435 W1436 L1437 I1441 I1442 R1443 D1470 | I1418-R1439 HydrophobicContact CG1-CB 4.49Å; I1418-R1439 HydrophobicContact CG2-CB 3.92Å; I1418-R1439 HydrophobicContact CG2-CG 3.79Å; N1419-R1439 VanDerWaalsContact OD1-CD 3.23Å; N1419-R1439 WeakPolarHBondContact OD1-CD 3.43Å; N1419-R1439 PolarHBondContact OD1-NH1 2.65Å; S1435-R1439 PolarHBondContact O-N 3.42Å; W1436-R1439 VanDerWaalsContact CZ3-NH2 3.28Å; W1436-R1439 PolarHBondContact O-N 3.48Å; W1436-R1439 VanDerWaalsContact O-N 3.11Å; L1437-R1439 PolarHBondContact O-N 3.14Å; R1439-I1441 VanDerWaalsContact C-N 3.3Å; R1439-I1441 PolarHBondContact O-N 3.5Å; R1439-I1442 PolarHBondContact O-N 3.21Å; R1439-R1443 WeakPolarHBondContact O-CB 3.48Å; R1439-R1443 WeakPolarHBondContact O-CG 3.42Å; R1439-R1443 PolarHBondContact O-N 2.98Å; R1439-D1470 WeakPolarHBondContact CB-OD2 3.37Å; R1439-D1470 WeakPolarHBondContact CG-OD2 3.26Å; R1439-D1470 IonicContact CZ-OD1 2.77Å; R1439-D1470 IonicContact CZ-OD2 2.7Å; R1439-D1470 IonicContact NE-OD1 3.61Å; R1439-D1470 PolarHBondContact NE-OD1 3.12Å; R1439-D1470 IonicContact NE-OD2 2.7Å; R1439-D1470 PolarHBondContact NE-OD2 3.39Å; R1439-D1470 IonicContact NH2-OD1 3.62Å; R1439-D1470 PolarHBondContact NH2-OD1 2.9Å; R1439-D1470 IonicContact NH2-OD2 3.31Å |
| 1440 | S | 90.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 172.2 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | W1436 L1437 R1443 L1444 A1467 | W1436-S1440 PolarHBondContact O-N 3.47Å; L1437-S1440 PolarHBondContact O-N 3.18Å; L1437-S1440 PolarHBondContact O-OG 2.77Å; S1440-R1443 PolarHBondContact O-N 3.27Å; S1440-L1444 VanDerWaalsContact O-CB 3.32Å; S1440-L1444 WeakPolarHBondContact O-CB 3.34Å; S1440-L1444 PolarHBondContact O-N 3.33Å; S1440-A1467 WeakPolarHBondContact CB-O 3.2Å |
| 1441 | I | 89 | Confident | 80.8 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.9 | -45.6 | 174.3 | -69.6 | 163.1 | 0 | 0 | 0 | 110.6 | L1437 L1438 R1439 R1443 L1444 I1445 T1495 | L1437-I1441 HydrophobicContact CG-CD1 4.17Å; L1437-I1441 WeakPolarHBondContact O-CG1 3.26Å; L1437-I1441 PolarHBondContact O-N 2.97Å; L1438-I1441 PolarHBondContact O-N 3.43Å; R1439-I1441 VanDerWaalsContact C-N 3.3Å; R1439-I1441 PolarHBondContact O-N 3.5Å; I1441-R1443 VanDerWaalsContact C-N 3.31Å; I1441-R1443 PolarHBondContact O-N 3.02Å; I1441-L1444 PolarHBondContact O-N 3.45Å; I1441-I1445 HydrophobicContact CG2-CD1 3.74Å; I1441-I1445 HydrophobicContact CG2-CG1 4.44Å; I1441-I1445 VanDerWaalsContact O-CG1 3.31Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; I1441-I1445 PolarHBondContact O-N 2.96Å; I1441-T1495 HydrophobicContact CD1-CG2 4Å; I1441-T1495 HydrophobicContact CG1-CG2 3.56Å |
| 1442 | I | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.2 | -46.5 | 175.3 | -70.5 | 160.1 | 0 | 0 | 0 | 110.2 | L1406 I1411 S1414 E1415 I1418 L1438 R1439 I1445 K1446 | L1406-I1442 HydrophobicContact CD1-CD1 4.35Å; L1406-I1442 HydrophobicContact CD1-CG1 3.8Å; L1406-I1442 HydrophobicContact CD2-CG1 4.08Å; L1406-I1442 HydrophobicContact CG-CG1 4.26Å; I1411-I1442 HydrophobicContact CG2-CG2 4.08Å; S1414-I1442 WeakPolarHBondContact OG-CD1 3.44Å; E1415-I1442 HydrophobicContact CB-CG2 3.83Å; E1415-I1442 HydrophobicContact CG-CG2 4.12Å; I1418-I1442 HydrophobicContact CB-CD1 4.16Å; I1418-I1442 HydrophobicContact CG2-CD1 3.87Å; L1438-I1442 HydrophobicContact CG-CD1 4.19Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.38Å; L1438-I1442 VanDerWaalsContact O-CG1 3.25Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.5Å; L1438-I1442 PolarHBondContact O-N 3.15Å; R1439-I1442 PolarHBondContact O-N 3.21Å; I1442-I1445 PolarHBondContact O-N 2.82Å; I1442-K1446 VanDerWaalsContact O-CB 3.27Å; I1442-K1446 WeakPolarHBondContact O-CB 3.37Å; I1442-K1446 PolarHBondContact O-N 2.98Å |
| 1443 | R | 89.3 | Confident | 80.5 | Confident | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.106 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 178 | -75 | 172.3 | 160.3 | 170.2 | -13.8 | 113 | R1439 S1440 I1441 K1446 Y1447 E1466 A1467 D1470 | R1439-R1443 WeakPolarHBondContact O-CB 3.48Å; R1439-R1443 WeakPolarHBondContact O-CG 3.42Å; R1439-R1443 PolarHBondContact O-N 2.98Å; S1440-R1443 PolarHBondContact O-N 3.27Å; I1441-R1443 VanDerWaalsContact C-N 3.31Å; I1441-R1443 PolarHBondContact O-N 3.02Å; R1443-K1446 PolarHBondContact O-N 3.2Å; R1443-Y1447 PolarHBondContact O-N 3.44Å; R1443-E1466 IonicContact CZ-OE2 2.77Å; R1443-E1466 IonicContact NE-OE2 3.5Å; R1443-E1466 PolarHBondContact NE-OE2 3.2Å; R1443-E1466 IonicContact NH1-OE2 3.52Å; R1443-E1466 IonicContact NH2-OE2 3.46Å; R1443-E1466 PolarHBondContact NH2-OE2 2.99Å; R1443-A1467 HydrophobicContact CB-CB 3.94Å; R1443-D1470 IonicContact CZ-OD2 2.7Å; R1443-D1470 IonicContact NE-OD2 2.75Å; R1443-D1470 IonicContact NH1-OD1 2.74Å; R1443-D1470 PolarHBondContact NH1-OD1 2.86Å; R1443-D1470 VanDerWaalsContact NH1-OD1 3.14Å; R1443-D1470 IonicContact NH1-OD2 3.4Å; R1443-D1470 PolarHBondContact NH1-OD2 3.45Å |
| 1444 | L | 88 | Confident | 79.1 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 175.6 | 176.7 | 62.7 | 0 | 0 | 0 | 112.5 | S1440 I1441 Q1448 L1464 Q1498 I1499 Q1502 | S1440-L1444 VanDerWaalsContact O-CB 3.32Å; S1440-L1444 WeakPolarHBondContact O-CB 3.34Å; S1440-L1444 PolarHBondContact O-N 3.33Å; I1441-L1444 PolarHBondContact O-N 3.45Å; L1444-Q1448 WeakPolarHBondContact O-CG 3.41Å; L1444-Q1448 PolarHBondContact O-N 2.91Å; L1444-L1464 HydrophobicContact CD1-CD2 4.29Å; L1444-Q1498 HydrophobicContact CD1-CG 4.49Å; L1444-Q1498 HydrophobicContact CD2-CB 4.14Å; L1444-Q1498 HydrophobicContact CD2-CG 3.82Å; L1444-I1499 HydrophobicContact CB-CG1 4.47Å; L1444-I1499 HydrophobicContact CD1-CG1 3.98Å; L1444-I1499 HydrophobicContact CD2-CG1 4.24Å; L1444-I1499 HydrophobicContact CG-CG1 4.46Å; L1444-Q1502 HydrophobicContact CD1-CG 4.27Å |
| 1445 | I | 86.3 | Confident | 77.6 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 174.6 | -65.4 | 166.2 | 0 | 0 | 0 | 110.2 | L1406 I1411 I1441 I1442 Y1447 Q1448 S1449 | L1406-I1445 HydrophobicContact CD2-CD1 4.03Å; I1411-I1445 HydrophobicContact CD1-CG2 3.79Å; I1411-I1445 HydrophobicContact CG1-CG2 4.23Å; I1441-I1445 HydrophobicContact CG2-CD1 3.74Å; I1441-I1445 HydrophobicContact CG2-CG1 4.44Å; I1441-I1445 VanDerWaalsContact O-CG1 3.31Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; I1441-I1445 PolarHBondContact O-N 2.96Å; I1442-I1445 PolarHBondContact O-N 2.82Å; I1445-Y1447 VanDerWaalsContact C-N 3.32Å; I1445-Y1447 PolarHBondContact O-N 3.46Å; I1445-Q1448 CarbonylContact O-C 3.6Å; I1445-Q1448 PolarHBondContact O-N 3.16Å; I1445-Q1448 VanDerWaalsContact O-N 3.16Å; I1445-S1449 PolarHBondContact O-N 2.74Å; I1445-S1449 PolarHBondContact O-OG 2.86Å |
| 1446 | K | 86 | Confident | 76.1 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 177.1 | -170 | 175.5 | -177.6 | 176.2 | 0 | 112.8 | I1411 E1415 I1442 R1443 S1449 | I1411-K1446 HydrophobicContact CG2-CB 4.2Å; E1415-K1446 VanDerWaalsContact CD-NZ 3.34Å; E1415-K1446 IonicContact OE1-NZ 3.49Å; E1415-K1446 PolarHBondContact OE1-NZ 2.93Å; E1415-K1446 IonicContact OE2-NZ 2.69Å; E1415-K1446 PolarHBondContact OE2-NZ 3.4Å; I1442-K1446 VanDerWaalsContact O-CB 3.27Å; I1442-K1446 WeakPolarHBondContact O-CB 3.37Å; I1442-K1446 PolarHBondContact O-N 2.98Å; R1443-K1446 PolarHBondContact O-N 3.2Å; K1446-S1449 WeakPolarHBondContact CA-OG 3.3Å; K1446-S1449 PolarHBondContact O-OG 3.11Å |
| 1447 | Y | 84.6 | Confident | 74.7 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -56.9 | 167.4 | 176.4 | -90.3 | 0 | 0 | 0 | 110.4 | R1443 I1445 S1449 K1450 N1451 E1460 L1464 Q1502 | R1443-Y1447 PolarHBondContact O-N 3.44Å; I1445-Y1447 VanDerWaalsContact C-N 3.32Å; I1445-Y1447 PolarHBondContact O-N 3.46Å; Y1447-S1449 PolarHBondContact O-N 3.15Å; Y1447-K1450 WeakPolarHBondContact O-CB 3.07Å; Y1447-K1450 PolarHBondContact O-N 3.22Å; Y1447-N1451 WeakPolarHBondContact CD1-OD1 3.39Å; Y1447-N1451 WeakPolarHBondContact CE1-OD1 3.45Å; Y1447-N1451 PolarHBondContact O-N 2.75Å; Y1447-N1451 PolarHBondContact O-OD1 3.39Å; Y1447-N1451 PolarHBondContact OH-ND2 3.39Å; Y1447-E1460 HydrophobicContact CD2-CB 4.15Å; Y1447-E1460 HydrophobicContact CE2-CB 3.73Å; Y1447-L1464 HydrophobicContact CD1-CD1 4.49Å; Y1447-L1464 HydrophobicContact CD1-CD2 3.93Å; Y1447-L1464 HydrophobicContact CD1-CG 4.47Å; Y1447-L1464 HydrophobicContact CD2-CD1 3.93Å; Y1447-L1464 HydrophobicContact CD2-CD2 3.78Å; Y1447-L1464 HydrophobicContact CD2-CG 3.59Å; Y1447-L1464 HydrophobicContact CE1-CD1 4.1Å; Y1447-L1464 HydrophobicContact CE1-CD2 4.34Å; Y1447-L1464 HydrophobicContact CE2-CD1 3.47Å; Y1447-L1464 VanDerWaalsContact CE2-CD1 3.47Å; Y1447-L1464 HydrophobicContact CE2-CD2 4.19Å; Y1447-L1464 HydrophobicContact CE2-CG 3.68Å; Y1447-L1464 HydrophobicContact CG-CD1 4.43Å; Y1447-L1464 HydrophobicContact CG-CD2 3.66Å; Y1447-L1464 HydrophobicContact CG-CG 4.03Å; Y1447-Q1502 HydrophobicContact CD1-CG 4.34Å; Y1447-Q1502 HydrophobicContact CE1-CB 3.93Å; Y1447-Q1502 HydrophobicContact CE1-CG 3.91Å |
| 1448 | Q | 81.1 | Confident | 73.5 | Confident | 93 Ų | 93 | 73.8 Ų | 73.8 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.4 | -23.1 | -179.5 | -71.6 | 171 | -1.2 | 0 | 0 | 114.7 | L1444 I1445 | L1444-Q1448 WeakPolarHBondContact O-CG 3.41Å; L1444-Q1448 PolarHBondContact O-N 2.91Å; I1445-Q1448 CarbonylContact O-C 3.6Å; I1445-Q1448 PolarHBondContact O-N 3.16Å; I1445-Q1448 VanDerWaalsContact O-N 3.16Å |
| 1449 | S | 77.6 | Confident | 72.3 | Confident | 67 Ų | 67 | 79 Ų | 79 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.2 | 172.7 | 57.3 | 0 | 0 | 0 | 0 | 115.7 | I1445 K1446 Y1447 | I1445-S1449 PolarHBondContact O-N 2.74Å; I1445-S1449 PolarHBondContact O-OG 2.86Å; K1446-S1449 WeakPolarHBondContact CA-OG 3.3Å; K1446-S1449 PolarHBondContact O-OG 3.11Å; Y1447-S1449 PolarHBondContact O-N 3.15Å |
| 1450 | K | 72.2 | Confident | 71.1 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -38.3 | 174.6 | -80.6 | -175.1 | 155.1 | -152.6 | 0 | 112.8 | Y1447 S1452 D1453 E1460 L1463 | Y1447-K1450 WeakPolarHBondContact O-CB 3.07Å; Y1447-K1450 PolarHBondContact O-N 3.22Å; K1450-S1452 PolarHBondContact O-N 3.09Å; K1450-D1453 PolarHBondContact O-N 2.93Å; K1450-E1460 WeakPolarHBondContact CB-OE1 3.26Å; K1450-L1463 HydrophobicContact CD-CD1 4.08Å |
| 1451 | N | 60 | Low | 70.3 | Confident | 70 Ų | 70 | 81.4 Ų | 81.4 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 6.9 | -175.6 | -67.9 | 93.3 | 0 | 0 | 0 | 116.3 | Y1447 E1460 | Y1447-N1451 WeakPolarHBondContact CD1-OD1 3.39Å; Y1447-N1451 WeakPolarHBondContact CE1-OD1 3.45Å; Y1447-N1451 PolarHBondContact O-N 2.75Å; Y1447-N1451 PolarHBondContact O-OD1 3.39Å; Y1447-N1451 PolarHBondContact OH-ND2 3.39Å; N1451-E1460 PolarHBondContact ND2-OE2 2.88Å |
| 1452 | S | 57.6 | Low | 69.9 | Low | 88 Ų | 88 | 83.5 Ų | 83.5 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -24.9 | 164.6 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | K1450 | K1450-S1452 PolarHBondContact O-N 3.09Š|
| 1453 | D | 54.6 | Low | 69.7 | Low | 122 Ų | 122 | 84.8 Ų | 84.8 | 65% | 0.652 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -117.4 | 103.6 | -165 | -64.4 | 17.4 | 0 | 0 | 0 | 109.8 | K1450 H1455 | K1450-D1453 PolarHBondContact O-N 2.93Å; D1453-H1455 PolarHBondContact O-N 2.7Å |
| 1454 | H | 43.8 | Very low | 69.5 | Low | 182 Ų | 182 | 83.4 Ų | 83.4 | 84% | 0.843 | 43% | 0.43 | S | S | * | . | trans | -67.5 | 87.5 | -172.5 | -70.7 | -63.5 | 0 | 0 | 0 | 114.7 | ||||
| 1455 | H | 46.1 | Very low | 69.4 | Low | 165 Ų | 165 | 87.1 Ų | 87.1 | 76% | 0.764 | 45% | 0.446 | S | S | * | . | trans | -150.5 | 137.4 | 160 | -85.4 | -68.1 | 0 | 0 | 0 | 113.5 | D1453 | D1453-H1455 PolarHBondContact O-N 2.7Š| ||
| 1456 | D | 53.3 | Low | 69.6 | Low | 124 Ų | 124 | 87.6 Ų | 87.6 | 66% | 0.663 | 45% | 0.447 | S | S | * | . | trans | 57.5 | 88.8 | 163.8 | -53.7 | -12.3 | 0 | 0 | 0 | 118.4 | D1458 | D1456-D1458 VanDerWaalsContact C-N 3.3Å; D1456-D1458 PolarHBondContact O-N 3.44Å; D1456-D1458 VanDerWaalsContact O-N 3.17Å | ||
| 1457 | D | 57.3 | Low | 69.7 | Low | 132 Ų | 132 | 85 Ų | 85 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -52.6 | -34.3 | -178.9 | -72.3 | -68 | 0 | 0 | 0 | 115.3 | D1459 D1461 | D1457-D1459 PolarHBondContact O-N 3.01Å; D1457-D1461 PolarHBondContact O-N 3.49Å |
| 1458 | D | 61.8 | Low | 69.9 | Low | 142 Ų | 142 | 85.2 Ų | 85.2 | 76% | 0.759 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | -169.5 | -80.5 | -41 | 0 | 0 | 0 | 113.7 | D1456 Q1462 | D1456-D1458 VanDerWaalsContact C-N 3.3Å; D1456-D1458 PolarHBondContact O-N 3.44Å; D1456-D1458 VanDerWaalsContact O-N 3.17Å; D1458-Q1462 PolarHBondContact O-N 2.87Å |
| 1459 | D | 62.1 | Low | 70.4 | Confident | 118 Ų | 118 | 85.1 Ų | 85.1 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -80.5 | -29.5 | -173.3 | -125.2 | 29 | 0 | 0 | 0 | 111.7 | D1457 | D1457-D1459 PolarHBondContact O-N 3.01Å |
| 1460 | E | 63.5 | Low | 70.9 | Confident | 25 Ų | 25 | 82 Ų | 82 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70 | -41.5 | 173.8 | -59.7 | -152.4 | 131.7 | 0 | 0 | 111.7 | Y1447 K1450 N1451 Q1462 L1463 | Y1447-E1460 HydrophobicContact CD2-CB 4.15Å; Y1447-E1460 HydrophobicContact CE2-CB 3.73Å; K1450-E1460 WeakPolarHBondContact CB-OE1 3.26Å; N1451-E1460 PolarHBondContact ND2-OE2 2.88Å; E1460-Q1462 PolarHBondContact O-N 3.12Å; E1460-L1463 PolarHBondContact O-N 3.48Å; E1460-L1463 VanDerWaalsContact O-N 3.13Å |
| 1461 | D | 72.7 | Confident | 71.6 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 32% | 0.316 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -26.6 | 179.8 | -151.3 | 51.3 | 0 | 0 | 0 | 111.5 | D1457 K1465 L1503 | D1457-D1461 PolarHBondContact O-N 3.49Å; D1461-K1465 VanDerWaalsContact O-CD 3.32Å; D1461-K1465 WeakPolarHBondContact O-CD 3.38Å; D1461-K1465 WeakPolarHBondContact O-CE 3.41Å; D1461-K1465 VanDerWaalsContact O-CG 3.25Å; D1461-K1465 WeakPolarHBondContact O-CG 3.35Å; D1461-K1465 PolarHBondContact O-N 2.86Å; D1461-K1465 WeakPolarHBondContact OD2-CE 3.35Å; D1461-K1465 IonicContact OD2-NZ 3.2Å; D1461-K1465 PolarHBondContact OD2-NZ 2.85Å; D1461-L1503 WeakPolarHBondContact OD1-CD2 3.45Å |
| 1462 | Q | 81.6 | Confident | 72.8 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 174 | -174.4 | 63.2 | 4.8 | 0 | 0 | 113.4 | D1458 E1460 L1464 K1465 E1466 | D1458-Q1462 PolarHBondContact O-N 2.87Å; E1460-Q1462 PolarHBondContact O-N 3.12Å; Q1462-L1464 VanDerWaalsContact C-N 3.3Å; Q1462-L1464 PolarHBondContact O-N 3.44Å; Q1462-K1465 PolarHBondContact O-N 3.25Å; Q1462-E1466 PolarHBondContact O-N 3Å |
| 1463 | L | 84 | Confident | 74.1 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 176.3 | -76.8 | 167.1 | 0 | 0 | 0 | 112.1 | K1450 E1460 E1466 A1467 | K1450-L1463 HydrophobicContact CD-CD1 4.08Å; E1460-L1463 PolarHBondContact O-N 3.48Å; E1460-L1463 VanDerWaalsContact O-N 3.13Å; L1463-E1466 PolarHBondContact O-N 3.13Å; L1463-A1467 PolarHBondContact O-N 3.18Å |
| 1464 | L | 85.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | 175.2 | -64.8 | -179.3 | 0 | 0 | 0 | 112.2 | L1444 Y1447 Q1462 E1466 A1467 L1468 I1499 Q1502 L1503 | L1444-L1464 HydrophobicContact CD1-CD2 4.29Å; Y1447-L1464 HydrophobicContact CD1-CD1 4.49Å; Y1447-L1464 HydrophobicContact CD1-CD2 3.93Å; Y1447-L1464 HydrophobicContact CD1-CG 4.47Å; Y1447-L1464 HydrophobicContact CD2-CD1 3.93Å; Y1447-L1464 HydrophobicContact CD2-CD2 3.78Å; Y1447-L1464 HydrophobicContact CD2-CG 3.59Å; Y1447-L1464 HydrophobicContact CE1-CD1 4.1Å; Y1447-L1464 HydrophobicContact CE1-CD2 4.34Å; Y1447-L1464 HydrophobicContact CE2-CD1 3.47Å; Y1447-L1464 VanDerWaalsContact CE2-CD1 3.47Å; Y1447-L1464 HydrophobicContact CE2-CD2 4.19Å; Y1447-L1464 HydrophobicContact CE2-CG 3.68Å; Y1447-L1464 HydrophobicContact CG-CD1 4.43Å; Y1447-L1464 HydrophobicContact CG-CD2 3.66Å; Y1447-L1464 HydrophobicContact CG-CG 4.03Å; Q1462-L1464 VanDerWaalsContact C-N 3.3Å; Q1462-L1464 PolarHBondContact O-N 3.44Å; L1464-E1466 VanDerWaalsContact C-N 3.33Å; L1464-E1466 PolarHBondContact O-N 2.88Å; L1464-A1467 PolarHBondContact O-N 2.92Å; L1464-L1468 PolarHBondContact O-N 3.39Å; L1464-I1499 HydrophobicContact CB-CG2 4.14Å; L1464-I1499 HydrophobicContact CD2-CG2 4.21Å; L1464-Q1502 HydrophobicContact CD1-CB 3.64Å; L1464-Q1502 HydrophobicContact CD2-CB 4.37Å; L1464-L1503 HydrophobicContact CB-CD1 4.41Å; L1464-L1503 HydrophobicContact CB-CD2 3.76Å; L1464-L1503 HydrophobicContact CB-CG 4.09Å; L1464-L1503 HydrophobicContact CD1-CD2 3.71Å; L1464-L1503 HydrophobicContact CD1-CG 3.92Å; L1464-L1503 HydrophobicContact CG-CD2 4.42Å |
| 1465 | K | 86.6 | Confident | 77.1 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 172.7 | -68.4 | 158.9 | -159.5 | 155.2 | 0 | 111.5 | D1461 Q1462 L1468 N1469 | D1461-K1465 VanDerWaalsContact O-CD 3.32Å; D1461-K1465 WeakPolarHBondContact O-CD 3.38Å; D1461-K1465 WeakPolarHBondContact O-CE 3.41Å; D1461-K1465 VanDerWaalsContact O-CG 3.25Å; D1461-K1465 WeakPolarHBondContact O-CG 3.35Å; D1461-K1465 PolarHBondContact O-N 2.86Å; D1461-K1465 WeakPolarHBondContact OD2-CE 3.35Å; D1461-K1465 IonicContact OD2-NZ 3.2Å; D1461-K1465 PolarHBondContact OD2-NZ 2.85Å; Q1462-K1465 PolarHBondContact O-N 3.25Å; K1465-L1468 PolarHBondContact O-N 3.14Å; K1465-N1469 PolarHBondContact O-N 3.48Å |
| 1466 | E | 88.7 | Confident | 78.6 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 172.7 | -71.3 | -165.9 | 169.6 | 0 | 0 | 113.2 | R1443 Q1462 L1463 L1464 N1469 D1470 | R1443-E1466 IonicContact CZ-OE2 2.77Å; R1443-E1466 IonicContact NE-OE2 3.5Å; R1443-E1466 PolarHBondContact NE-OE2 3.2Å; R1443-E1466 IonicContact NH1-OE2 3.52Å; R1443-E1466 IonicContact NH2-OE2 3.46Å; R1443-E1466 PolarHBondContact NH2-OE2 2.99Å; Q1462-E1466 PolarHBondContact O-N 3Å; L1463-E1466 PolarHBondContact O-N 3.13Å; L1464-E1466 VanDerWaalsContact C-N 3.33Å; L1464-E1466 PolarHBondContact O-N 2.88Å; E1466-N1469 PolarHBondContact O-N 2.81Å; E1466-D1470 PolarHBondContact O-N 3.3Å |
| 1467 | A | 89.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1440 R1443 L1463 L1464 D1470 I1471 I1499 | S1440-A1467 WeakPolarHBondContact CB-O 3.2Å; R1443-A1467 HydrophobicContact CB-CB 3.94Å; L1463-A1467 PolarHBondContact O-N 3.18Å; L1464-A1467 PolarHBondContact O-N 2.92Å; A1467-D1470 PolarHBondContact O-N 3.26Å; A1467-I1471 PolarHBondContact O-N 2.82Å; A1467-I1471 VanDerWaalsContact O-N 3.17Å; A1467-I1499 HydrophobicContact CB-CD1 3.67Å; A1467-I1499 HydrophobicContact CB-CG1 4.31Å |
| 1468 | L | 88.9 | Confident | 80 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 170.5 | -76.6 | 179.7 | 0 | 0 | 0 | 112.2 | L1464 K1465 D1470 I1471 H1472 K1496 I1499 L1500 L1503 | L1464-L1468 PolarHBondContact O-N 3.39Å; K1465-L1468 PolarHBondContact O-N 3.14Å; L1468-D1470 VanDerWaalsContact C-N 3.32Å; L1468-D1470 PolarHBondContact O-N 2.98Å; L1468-I1471 PolarHBondContact O-N 3.14Å; L1468-I1471 VanDerWaalsContact O-N 3.14Å; L1468-H1472 PolarHBondContact O-CD2 2.77Å; L1468-H1472 PolarHBondContact O-N 3.45Å; L1468-K1496 HydrophobicContact CD2-CG 4.38Å; L1468-I1499 HydrophobicContact CD1-CG2 4.39Å; L1468-I1499 HydrophobicContact CD2-CB 4.26Å; L1468-I1499 HydrophobicContact CD2-CG2 3.85Å; L1468-I1499 HydrophobicContact CG-CG2 3.7Å; L1468-L1500 HydrophobicContact CD1-CD2 4.49Å; L1468-L1500 HydrophobicContact CD2-CD2 4.48Å; L1468-L1503 HydrophobicContact CD1-CD1 3.53Å; L1468-L1503 HydrophobicContact CG-CD1 4.34Å |
| 1469 | N | 90.2 | Very high | 79.8 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | 177.1 | -168.9 | 14.2 | 0 | 0 | 0 | 111.6 | K1465 E1466 I1471 H1472 Q1473 | K1465-N1469 PolarHBondContact O-N 3.48Å; E1466-N1469 PolarHBondContact O-N 2.81Å; N1469-I1471 VanDerWaalsContact C-N 3.34Å; N1469-I1471 PolarHBondContact O-N 3.33Å; N1469-H1472 PolarHBondContact O-N 3.25Å; N1469-Q1473 WeakPolarHBondContact O-CG 3.37Å; N1469-Q1473 PolarHBondContact O-N 3.02Å |
| 1470 | D | 88.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 172.7 | -77.4 | -12.3 | 0 | 0 | 0 | 112.6 | W1436 R1439 R1443 E1466 A1467 L1468 Q1473 A1474 | W1436-D1470 HydrophobicContact CE3-CB 4.31Å; R1439-D1470 WeakPolarHBondContact CB-OD2 3.37Å; R1439-D1470 WeakPolarHBondContact CG-OD2 3.26Å; R1439-D1470 IonicContact CZ-OD1 2.77Å; R1439-D1470 IonicContact CZ-OD2 2.7Å; R1439-D1470 IonicContact NE-OD1 3.61Å; R1439-D1470 PolarHBondContact NE-OD1 3.12Å; R1439-D1470 IonicContact NE-OD2 2.7Å; R1439-D1470 PolarHBondContact NE-OD2 3.39Å; R1439-D1470 IonicContact NH2-OD1 3.62Å; R1439-D1470 PolarHBondContact NH2-OD1 2.9Å; R1439-D1470 IonicContact NH2-OD2 3.31Å; R1443-D1470 IonicContact CZ-OD2 2.7Å; R1443-D1470 IonicContact NE-OD2 2.75Å; R1443-D1470 IonicContact NH1-OD1 2.74Å; R1443-D1470 PolarHBondContact NH1-OD1 2.86Å; R1443-D1470 VanDerWaalsContact NH1-OD1 3.14Å; R1443-D1470 IonicContact NH1-OD2 3.4Å; R1443-D1470 PolarHBondContact NH1-OD2 3.45Å; E1466-D1470 PolarHBondContact O-N 3.3Å; A1467-D1470 PolarHBondContact O-N 3.26Å; L1468-D1470 VanDerWaalsContact C-N 3.32Å; L1468-D1470 PolarHBondContact O-N 2.98Å; D1470-Q1473 PolarHBondContact O-N 3.33Å; D1470-A1474 PolarHBondContact O-N 2.99Å |
| 1471 | I | 87.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 173.4 | -68.6 | -179.6 | 0 | 0 | 0 | 110.8 | A1467 L1468 N1469 Q1473 A1474 E1475 L1492 K1496 I1499 | A1467-I1471 PolarHBondContact O-N 2.82Å; A1467-I1471 VanDerWaalsContact O-N 3.17Å; L1468-I1471 PolarHBondContact O-N 3.14Å; L1468-I1471 VanDerWaalsContact O-N 3.14Å; N1469-I1471 VanDerWaalsContact C-N 3.34Å; N1469-I1471 PolarHBondContact O-N 3.33Å; I1471-Q1473 VanDerWaalsContact C-N 3.3Å; I1471-Q1473 PolarHBondContact O-N 2.83Å; I1471-A1474 CarbonylContact O-C 3.34Å; I1471-A1474 WeakPolarHBondContact O-CA 3.46Å; I1471-A1474 WeakPolarHBondContact O-CB 3.43Å; I1471-A1474 PolarHBondContact O-N 2.82Å; I1471-A1474 VanDerWaalsContact O-N 3.1Å; I1471-E1475 HydrophobicContact CG2-CG 4.34Å; I1471-E1475 WeakPolarHBondContact O-CG 3.5Å; I1471-E1475 PolarHBondContact O-N 3.43Å; I1471-L1492 HydrophobicContact CG2-CD2 3.97Å; I1471-L1492 HydrophobicContact CG2-CG 4.2Å; I1471-K1496 HydrophobicContact CD1-CB 3.93Å; I1471-K1496 HydrophobicContact CG2-CB 4.26Å; I1471-K1496 HydrophobicContact CG2-CD 4.05Å; I1471-K1496 HydrophobicContact CG2-CG 4.22Å; I1471-I1499 HydrophobicContact CD1-CD1 3.62Å |
| 1472 | H | 85.9 | Confident | 77.8 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -31.8 | 174.3 | -69.8 | -43.3 | 0 | 0 | 0 | 113 | L1468 N1469 E1475 Q1476 | L1468-H1472 PolarHBondContact O-CD2 2.77Å; L1468-H1472 PolarHBondContact O-N 3.45Å; N1469-H1472 PolarHBondContact O-N 3.25Å; H1472-E1475 IonicContact CE1-OE2 2.65Å; H1472-E1475 IonicContact CG-OE2 3.46Å; H1472-E1475 IonicContact ND1-OE2 3.58Å; H1472-E1475 PolarHBondContact ND1-OE2 3.2Å; H1472-E1475 PolarHBondContact O-N 2.84Å; H1472-Q1476 WeakPolarHBondContact O-CB 3.44Å; H1472-Q1476 VanDerWaalsContact O-CG 3.28Å; H1472-Q1476 WeakPolarHBondContact O-CG 3.22Å; H1472-Q1476 PolarHBondContact O-N 3.49Å |
| 1473 | Q | 84.1 | Confident | 76 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 170.1 | -68.6 | -60.9 | -52.7 | 0 | 0 | 111.7 | W1436 N1469 D1470 I1471 L1477 | W1436-Q1473 HydrophobicContact CD2-CB 3.58Å; W1436-Q1473 HydrophobicContact CD2-CG 4.37Å; W1436-Q1473 HydrophobicContact CE3-CB 3.5Å; W1436-Q1473 HydrophobicContact CE3-CG 3.9Å; W1436-Q1473 HydrophobicContact CG-CB 4.13Å; W1436-Q1473 HydrophobicContact CH2-CB 4.14Å; W1436-Q1473 HydrophobicContact CH2-CG 3.9Å; W1436-Q1473 HydrophobicContact CZ2-CB 4.22Å; W1436-Q1473 HydrophobicContact CZ2-CG 4.38Å; W1436-Q1473 HydrophobicContact CZ3-CB 3.78Å; W1436-Q1473 HydrophobicContact CZ3-CG 3.62Å; N1469-Q1473 WeakPolarHBondContact O-CG 3.37Å; N1469-Q1473 PolarHBondContact O-N 3.02Å; D1470-Q1473 PolarHBondContact O-N 3.33Å; I1471-Q1473 VanDerWaalsContact C-N 3.3Å; I1471-Q1473 PolarHBondContact O-N 2.83Å; Q1473-L1477 WeakPolarHBondContact O-CB 3.42Å; Q1473-L1477 WeakPolarHBondContact O-CD1 3.17Å; Q1473-L1477 VanDerWaalsContact O-CG 3.26Å; Q1473-L1477 WeakPolarHBondContact O-CG 3.31Å; Q1473-L1477 PolarHBondContact O-N 3.3Å |
| 1474 | A | 81.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | P1433 W1436 D1470 I1471 L1477 I1478 L1492 | P1433-A1474 HydrophobicContact CB-CB 4.13Å; W1436-A1474 HydrophobicContact CB-CB 4.07Å; D1470-A1474 PolarHBondContact O-N 2.99Å; I1471-A1474 CarbonylContact O-C 3.34Å; I1471-A1474 WeakPolarHBondContact O-CA 3.46Å; I1471-A1474 WeakPolarHBondContact O-CB 3.43Å; I1471-A1474 PolarHBondContact O-N 2.82Å; I1471-A1474 VanDerWaalsContact O-N 3.1Å; A1474-L1477 WeakPolarHBondContact O-CB 3.25Å; A1474-L1477 PolarHBondContact O-N 3.33Å; A1474-I1478 WeakPolarHBondContact O-CD1 3.39Å; A1474-I1478 WeakPolarHBondContact O-CG1 3.44Å; A1474-I1478 PolarHBondContact O-N 3.33Å; A1474-L1492 HydrophobicContact CB-CD1 3.97Å |
| 1475 | E | 81.1 | Confident | 72.3 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.7 | -71.3 | 176 | 156 | 0 | 0 | 112 | I1471 H1472 L1477 I1478 L1479 L1492 K1496 | I1471-E1475 HydrophobicContact CG2-CG 4.34Å; I1471-E1475 WeakPolarHBondContact O-CG 3.5Å; I1471-E1475 PolarHBondContact O-N 3.43Å; H1472-E1475 IonicContact CE1-OE2 2.65Å; H1472-E1475 IonicContact CG-OE2 3.46Å; H1472-E1475 IonicContact ND1-OE2 3.58Å; H1472-E1475 PolarHBondContact ND1-OE2 3.2Å; H1472-E1475 PolarHBondContact O-N 2.84Å; E1475-L1477 VanDerWaalsContact C-N 3.25Å; E1475-L1477 PolarHBondContact O-N 3.12Å; E1475-I1478 CarbonylContact O-C 3.46Å; E1475-I1478 WeakPolarHBondContact O-CA 3.34Å; E1475-I1478 PolarHBondContact O-N 3.35Å; E1475-L1479 WeakPolarHBondContact O-CG 3.24Å; E1475-L1479 PolarHBondContact O-N 3.1Å; E1475-L1492 HydrophobicContact CG-CD1 4.5Å; E1475-L1492 HydrophobicContact CG-CD2 4.13Å; E1475-K1496 WeakPolarHBondContact OE1-CE 3.12Å; E1475-K1496 IonicContact OE1-NZ 3.98Å; E1475-K1496 PolarHBondContact OE1-NZ 3.37Å |
| 1476 | Q | 77.6 | Confident | 70.3 | Confident | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -32.6 | 175.7 | -78.4 | -178.9 | 13.9 | 0 | 0 | 112.5 | H1472 P1480 | H1472-Q1476 WeakPolarHBondContact O-CB 3.44Å; H1472-Q1476 VanDerWaalsContact O-CG 3.28Å; H1472-Q1476 WeakPolarHBondContact O-CG 3.22Å; H1472-Q1476 PolarHBondContact O-N 3.49Å; Q1476-P1480 WeakPolarHBondContact O-CD 3.42Å |
| 1477 | L | 71.4 | Confident | 68.6 | Low | 28 Ų | 28 | 59.9 Ų | 59.9 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 169.7 | -72.3 | 163.6 | 0 | 0 | 0 | 110.7 | L1431 P1433 W1436 Q1473 A1474 E1475 K1481 | L1431-L1477 HydrophobicContact CB-CD1 3.66Å; L1431-L1477 HydrophobicContact CB-CD2 3.92Å; L1431-L1477 HydrophobicContact CB-CG 4.48Å; L1431-L1477 HydrophobicContact CD1-CD2 4.44Å; P1433-L1477 HydrophobicContact CG-CB 4.09Å; W1436-L1477 VanDerWaalsContact CD1-CD1 3.47Å; W1436-L1477 HydrophobicContact CG-CD1 4.49Å; Q1473-L1477 WeakPolarHBondContact O-CB 3.42Å; Q1473-L1477 WeakPolarHBondContact O-CD1 3.17Å; Q1473-L1477 VanDerWaalsContact O-CG 3.26Å; Q1473-L1477 WeakPolarHBondContact O-CG 3.31Å; Q1473-L1477 PolarHBondContact O-N 3.3Å; A1474-L1477 WeakPolarHBondContact O-CB 3.25Å; A1474-L1477 PolarHBondContact O-N 3.33Å; E1475-L1477 VanDerWaalsContact C-N 3.25Å; E1475-L1477 PolarHBondContact O-N 3.12Å; L1477-K1481 WeakPolarHBondContact O-CD 3.41Å; L1477-K1481 WeakPolarHBondContact O-CE 3.38Å; L1477-K1481 WeakPolarHBondContact O-CG 3.26Å |
| 1478 | I | 68.2 | Low | 67.2 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.1 | -34.8 | -177.2 | -65.9 | 163 | 0 | 0 | 0 | 113.5 | P1433 A1474 E1475 K1481 L1482 L1486 W1489 L1492 | P1433-I1478 HydrophobicContact CB-CD1 3.97Å; P1433-I1478 HydrophobicContact CB-CG1 4.04Å; P1433-I1478 HydrophobicContact CG-CD1 4.31Å; P1433-I1478 HydrophobicContact CG-CG1 3.84Å; A1474-I1478 WeakPolarHBondContact O-CD1 3.39Å; A1474-I1478 WeakPolarHBondContact O-CG1 3.44Å; A1474-I1478 PolarHBondContact O-N 3.33Å; E1475-I1478 CarbonylContact O-C 3.46Å; E1475-I1478 WeakPolarHBondContact O-CA 3.34Å; E1475-I1478 PolarHBondContact O-N 3.35Å; I1478-K1481 VanDerWaalsContact O-CB 3.25Å; I1478-K1481 WeakPolarHBondContact O-CB 3.23Å; I1478-K1481 PolarHBondContact O-N 3.1Å; I1478-L1482 HydrophobicContact CG2-CD1 4.32Å; I1478-L1486 HydrophobicContact CG2-CD1 3.81Å; I1478-L1486 HydrophobicContact CG2-CG 4.36Å; I1478-W1489 HydrophobicContact CD1-CD2 4.45Å; I1478-W1489 HydrophobicContact CD1-CE3 4.36Å; I1478-L1492 HydrophobicContact CD1-CD1 3.79Å |
| 1479 | L | 56.8 | Low | 66.5 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -54.2 | -46.6 | -175.4 | -84.7 | 156.5 | 0 | 0 | 0 | 114.5 | E1475 K1481 L1486 | E1475-L1479 WeakPolarHBondContact O-CG 3.24Å; E1475-L1479 PolarHBondContact O-N 3.1Å; L1479-K1481 PolarHBondContact O-N 3.27Å; L1479-L1486 HydrophobicContact CB-CD1 4.36Å; L1479-L1486 HydrophobicContact CD2-CD1 3.69Å; L1479-L1486 HydrophobicContact CD2-CD2 3.81Å; L1479-L1486 HydrophobicContact CD2-CG 4.43Å; L1479-L1486 HydrophobicContact CG-CD1 3.81Å; L1479-L1486 HydrophobicContact CG-CD2 4.16Å |
| 1480 | P | 53.8 | Low | 66.1 | Low | 69 Ų | 69 | 62.2 Ų | 62.2 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -80.3 | 5.4 | 178.4 | -13.8 | 31.5 | 0 | 0 | 0 | 114.3 | Y149 Q1476 | Y149-P1480 HydrophobicContact CE1-CB 3.82Å; Y149-P1480 HydrophobicContact CE1-CG 4.1Å; Q1476-P1480 WeakPolarHBondContact O-CD 3.42Å |
| 1481 | K | 51.9 | Low | 65.9 | Low | 30 Ų | 30 | 67.4 Ų | 67.4 | 13% | 0.13 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -102.1 | -25.7 | -171.7 | -65.7 | 178.4 | 177.6 | 179.6 | 0 | 113.5 | Y149 P150 L1477 I1478 L1479 | Y149-K1481 HydrophobicContact CD1-CD 4.33Å; Y149-K1481 HydrophobicContact CD1-CG 3.7Å; Y149-K1481 HydrophobicContact CE1-CG 4.17Å; P150-K1481 HydrophobicContact CB-CD 3.39Å; P150-K1481 VanDerWaalsContact CB-CE 3.43Å; P150-K1481 HydrophobicContact CB-CG 3.97Å; P150-K1481 HydrophobicContact CG-CB 3.82Å; P150-K1481 HydrophobicContact CG-CD 3.48Å; P150-K1481 VanDerWaalsContact CG-CD 3.48Å; P150-K1481 HydrophobicContact CG-CG 3.52Å; L1477-K1481 WeakPolarHBondContact O-CD 3.41Å; L1477-K1481 WeakPolarHBondContact O-CE 3.38Å; L1477-K1481 WeakPolarHBondContact O-CG 3.26Å; I1478-K1481 VanDerWaalsContact O-CB 3.25Å; I1478-K1481 WeakPolarHBondContact O-CB 3.23Å; I1478-K1481 PolarHBondContact O-N 3.1Å; L1479-K1481 PolarHBondContact O-N 3.27Å |
| 1482 | L | 50.2 | Low | 65.9 | Low | 66 Ų | 66 | 67.8 Ų | 67.8 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | trans | -143.1 | 90.4 | -168.4 | -70.3 | 166.7 | 0 | 0 | 0 | 109.7 | I1478 D1484 H1485 | I1478-L1482 HydrophobicContact CG2-CD1 4.32Å; L1482-D1484 PolarHBondContact O-N 3.21Å; L1482-D1484 VanDerWaalsContact O-N 3.09Å; L1482-H1485 WeakPolarHBondContact CB-O 3.43Å; L1482-H1485 WeakPolarHBondContact CD1-O 3.43Å | ||
| 1483 | N | 43.3 | Very low | 65.9 | Low | 155 Ų | 155 | 64.7 Ų | 64.7 | 83% | 0.829 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -60.2 | -22.1 | -170.8 | -98 | 23.8 | 0 | 0 | 0 | 115.6 | ||
| 1484 | D | 46.3 | Very low | 66.2 | Low | 145 Ų | 145 | 64.9 Ų | 64.9 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -126 | -10.5 | -175.2 | -61.6 | -81 | 0 | 0 | 0 | 114.1 | L1482 | L1482-D1484 PolarHBondContact O-N 3.21Å; L1482-D1484 VanDerWaalsContact O-N 3.09Å |
| 1485 | H | 47.3 | Very low | 66.6 | Low | 117 Ų | 117 | 65.2 Ų | 65.2 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | trans | -138.2 | 78.6 | -168.4 | -64.6 | -20.8 | 0 | 0 | 0 | 112.4 | L1482 T1487 | L1482-H1485 WeakPolarHBondContact CB-O 3.43Å; L1482-H1485 WeakPolarHBondContact CD1-O 3.43Å; H1485-T1487 PolarHBondContact O-N 3.46Å; H1485-T1487 VanDerWaalsContact O-N 3.14Å | ||
| 1486 | L | 43.1 | Very low | 67 | Low | 71 Ų | 71 | 65.2 Ų | 65.2 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | trans | -75.3 | 10.2 | 171 | -146.6 | 78 | 0 | 0 | 0 | 113.6 | I1478 L1479 | I1478-L1486 HydrophobicContact CG2-CD1 3.81Å; I1478-L1486 HydrophobicContact CG2-CG 4.36Å; L1479-L1486 HydrophobicContact CB-CD1 4.36Å; L1479-L1486 HydrophobicContact CD2-CD1 3.69Å; L1479-L1486 HydrophobicContact CD2-CD2 3.81Å; L1479-L1486 HydrophobicContact CD2-CG 4.43Å; L1479-L1486 HydrophobicContact CG-CD1 3.81Å; L1479-L1486 HydrophobicContact CG-CD2 4.16Å | ||
| 1487 | T | 53 | Low | 67.7 | Low | 69 Ų | 69 | 59.8 Ų | 59.8 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | trans | -126.3 | 60.7 | -160.1 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | H1485 L1519 | H1485-T1487 PolarHBondContact O-N 3.46Å; H1485-T1487 VanDerWaalsContact O-N 3.14Å; T1487-L1519 VanDerWaalsContact C-CD1 3.45Å; T1487-L1519 WeakPolarHBondContact O-CD1 3.5Å; T1487-L1519 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1488 | C | 61.5 | Low | 68.6 | Low | 73 Ų | 73 | 59.8 Ų | 59.8 | 49% | 0.493 | 31% | 0.309 | S | S | . | . | trans | -129.3 | -3.7 | 179.6 | -68.1 | 0 | 0 | 0 | 0 | 113.9 | P1490 | C1488-P1490 VanDerWaalsContact C-CD 3.46Å; C1488-P1490 WeakPolarHBondContact O-CD 3.49Å | ||
| 1489 | W | 74.3 | Confident | 69.7 | Low | 79 Ų | 79 | 59.1 Ų | 59.1 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -117.3 | 79.8 | -175.7 | -82.4 | 33.6 | 0 | 0 | 0 | 110.5 | P1433 L1437 I1478 H1491 L1492 H1493 | P1433-W1489 HydrophobicContact CB-CH2 3.84Å; P1433-W1489 HydrophobicContact CB-CZ3 3.78Å; P1433-W1489 HydrophobicContact CG-CH2 4.39Å; L1437-W1489 HydrophobicContact CD2-CE3 4.01Å; L1437-W1489 HydrophobicContact CD2-CZ3 4.06Å; I1478-W1489 HydrophobicContact CD1-CD2 4.45Å; I1478-W1489 HydrophobicContact CD1-CE3 4.36Å; W1489-H1491 PolarHBondContact O-N 2.99Å; W1489-H1491 VanDerWaalsContact O-N 3.13Å; W1489-L1492 HydrophobicContact CB-CB 4.01Å; W1489-L1492 WeakPolarHBondContact O-CB 3.21Å; W1489-L1492 PolarHBondContact O-N 2.94Å; W1489-H1493 PolarHBondContact O-N 3.21Å | ||
| 1490 | P | 81.8 | Confident | 71.3 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.6 | -34.2 | -179.1 | -2.2 | -4.1 | 0 | 0 | 0 | 113.3 | C1488 L1492 H1493 Y1494 L1519 L1520 F1526 | C1488-P1490 VanDerWaalsContact C-CD 3.46Å; C1488-P1490 WeakPolarHBondContact O-CD 3.49Å; P1490-L1492 VanDerWaalsContact C-N 3.32Å; P1490-L1492 PolarHBondContact O-N 3.02Å; P1490-H1493 PolarHBondContact O-N 3.14Å; P1490-Y1494 VanDerWaalsContact O-CB 3.23Å; P1490-Y1494 WeakPolarHBondContact O-CB 3.36Å; P1490-Y1494 PolarHBondContact O-N 2.87Å; P1490-L1519 HydrophobicContact CB-CB 4.05Å; P1490-L1519 HydrophobicContact CG-CB 3.79Å; P1490-L1519 HydrophobicContact CG-CD1 4.46Å; P1490-L1520 HydrophobicContact CB-CB 4.48Å; P1490-L1520 HydrophobicContact CB-CD1 3.94Å; P1490-L1520 HydrophobicContact CB-CG 4.12Å; P1490-L1520 HydrophobicContact CG-CB 4.49Å; P1490-L1520 HydrophobicContact CG-CD1 3.63Å; P1490-L1520 HydrophobicContact CG-CG 3.66Å; P1490-F1526 HydrophobicContact CB-CE2 3.75Å; P1490-F1526 HydrophobicContact CB-CZ 4.1Å |
| 1491 | H | 82.8 | Confident | 73 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 176.5 | -62.5 | -62.6 | 0 | 0 | 0 | 113.8 | L1437 W1489 T1495 | L1437-H1491 HydrophobicContact CD2-CB 4.4Å; W1489-H1491 PolarHBondContact O-N 2.99Å; W1489-H1491 VanDerWaalsContact O-N 3.13Å; H1491-T1495 WeakPolarHBondContact O-CG2 3.48Å; H1491-T1495 PolarHBondContact O-N 2.9Å; H1491-T1495 PolarHBondContact O-OG1 2.8Å |
| 1492 | L | 87 | Confident | 74.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.7 | -47.5 | 177.9 | -176.2 | 156.3 | 0 | 0 | 0 | 110.6 | L1437 I1471 A1474 E1475 I1478 W1489 P1490 Y1494 T1495 K1496 | L1437-L1492 HydrophobicContact CD1-CB 4.25Å; L1437-L1492 HydrophobicContact CD1-CG 4.46Å; I1471-L1492 HydrophobicContact CG2-CD2 3.97Å; I1471-L1492 HydrophobicContact CG2-CG 4.2Å; A1474-L1492 HydrophobicContact CB-CD1 3.97Å; E1475-L1492 HydrophobicContact CG-CD1 4.5Å; E1475-L1492 HydrophobicContact CG-CD2 4.13Å; I1478-L1492 HydrophobicContact CD1-CD1 3.79Å; W1489-L1492 HydrophobicContact CB-CB 4.01Å; W1489-L1492 WeakPolarHBondContact O-CB 3.21Å; W1489-L1492 PolarHBondContact O-N 2.94Å; P1490-L1492 VanDerWaalsContact C-N 3.32Å; P1490-L1492 PolarHBondContact O-N 3.02Å; L1492-Y1494 VanDerWaalsContact C-N 3.31Å; L1492-Y1494 PolarHBondContact O-N 2.81Å; L1492-T1495 PolarHBondContact O-N 3.12Å; L1492-T1495 PolarHBondContact O-OG1 3.31Å; L1492-K1496 VanDerWaalsContact O-CB 3.23Å; L1492-K1496 WeakPolarHBondContact O-CB 3.38Å; L1492-K1496 PolarHBondContact O-N 2.97Å |
| 1493 | H | 87.5 | Confident | 76.4 | Confident | 16 Ų | 16 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.7 | -65.3 | -63 | 0 | 0 | 0 | 111.1 | W1489 P1490 K1496 G1497 E1512 K1515 A1516 | W1489-H1493 PolarHBondContact O-N 3.21Å; P1490-H1493 PolarHBondContact O-N 3.14Å; H1493-K1496 PolarHBondContact O-N 2.9Å; H1493-G1497 PolarHBondContact O-N 3.14Å; H1493-E1512 WeakPolarHBondContact CB-O 3.3Å; H1493-E1512 IonicContact CE1-OE2 3.43Å; H1493-E1512 IonicContact CG-OE2 3.74Å; H1493-E1512 IonicContact ND1-OE2 2.67Å; H1493-E1512 PolarHBondContact ND1-OE2 3.09Å; H1493-E1512 WeakPolarHBondContact O-CB 3.28Å; H1493-K1515 HydrophobicContact CB-CB 4.19Å; H1493-A1516 HydrophobicContact CB-CB 4Å |
| 1494 | Y | 89.2 | Confident | 78.5 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 175.9 | 171.8 | -99.9 | 0 | 0 | 0 | 113.4 | P1490 L1492 K1496 G1497 Q1498 F1513 F1526 I1529 | P1490-Y1494 VanDerWaalsContact O-CB 3.23Å; P1490-Y1494 WeakPolarHBondContact O-CB 3.36Å; P1490-Y1494 PolarHBondContact O-N 2.87Å; L1492-Y1494 VanDerWaalsContact C-N 3.31Å; L1492-Y1494 PolarHBondContact O-N 2.81Å; Y1494-K1496 VanDerWaalsContact C-N 3.33Å; Y1494-K1496 PolarHBondContact O-N 2.99Å; Y1494-G1497 PolarHBondContact O-N 2.99Å; Y1494-Q1498 WeakPolarHBondContact O-CB 3.37Å; Y1494-Q1498 PolarHBondContact O-N 3.08Å; Y1494-F1513 HydrophobicContact CD2-CD1 4.32Å; Y1494-F1513 HydrophobicContact CD2-CE1 4.11Å; Y1494-F1526 HydrophobicContact CD1-CE1 4.13Å; Y1494-F1526 AromaticContact CD2-CD1 3.3Å; Y1494-F1526 HydrophobicContact CD2-CD1 3.3Å; Y1494-F1526 AromaticContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CG 4.32Å; Y1494-F1526 HydrophobicContact CD2-CZ 4.35Å; Y1494-F1526 AromaticContact CE2-CD1 3.69Å; Y1494-F1526 HydrophobicContact CE2-CD1 3.69Å; Y1494-F1526 AromaticContact CE2-CE1 3.91Å; Y1494-F1526 HydrophobicContact CE2-CE1 3.91Å; Y1494-F1526 AromaticContact CG-CD1 3.94Å; Y1494-F1526 HydrophobicContact CG-CD1 3.94Å; Y1494-F1526 AromaticContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CE1 3.43Å; Y1494-F1526 VanDerWaalsContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CZ 4.18Å; Y1494-I1529 HydrophobicContact CE2-CD1 3.65Å; Y1494-I1529 WeakPolarHBondContact OH-CD1 3.43Å |
| 1495 | T | 89.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.6 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | L1437 I1441 H1491 L1492 Q1498 I1499 | L1437-T1495 HydrophobicContact CD1-CG2 4.12Å; L1437-T1495 WeakPolarHBondContact CD1-OG1 3.44Å; I1441-T1495 HydrophobicContact CD1-CG2 4Å; I1441-T1495 HydrophobicContact CG1-CG2 3.56Å; H1491-T1495 WeakPolarHBondContact O-CG2 3.48Å; H1491-T1495 PolarHBondContact O-N 2.9Å; H1491-T1495 PolarHBondContact O-OG1 2.8Å; L1492-T1495 PolarHBondContact O-N 3.12Å; L1492-T1495 PolarHBondContact O-OG1 3.31Å; T1495-Q1498 PolarHBondContact O-N 3.18Å; T1495-I1499 WeakPolarHBondContact O-CD1 3.35Å; T1495-I1499 WeakPolarHBondContact O-CG1 3.34Å; T1495-I1499 PolarHBondContact O-N 2.84Å |
| 1496 | K | 90.9 | Very high | 82.5 | Confident | 30 Ų | 30 | 46 Ų | 46 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 176.6 | -168.8 | 177.3 | 171.1 | -169 | 0 | 110.5 | L1468 I1471 E1475 L1492 H1493 Y1494 Q1498 I1499 L1500 E1512 | L1468-K1496 HydrophobicContact CD2-CG 4.38Å; I1471-K1496 HydrophobicContact CD1-CB 3.93Å; I1471-K1496 HydrophobicContact CG2-CB 4.26Å; I1471-K1496 HydrophobicContact CG2-CD 4.05Å; I1471-K1496 HydrophobicContact CG2-CG 4.22Å; E1475-K1496 WeakPolarHBondContact OE1-CE 3.12Å; E1475-K1496 IonicContact OE1-NZ 3.98Å; E1475-K1496 PolarHBondContact OE1-NZ 3.37Å; L1492-K1496 VanDerWaalsContact O-CB 3.23Å; L1492-K1496 WeakPolarHBondContact O-CB 3.38Å; L1492-K1496 PolarHBondContact O-N 2.97Å; H1493-K1496 PolarHBondContact O-N 2.9Å; Y1494-K1496 VanDerWaalsContact C-N 3.33Å; Y1494-K1496 PolarHBondContact O-N 2.99Å; K1496-Q1498 VanDerWaalsContact C-N 3.31Å; K1496-Q1498 PolarHBondContact O-N 2.77Å; K1496-I1499 PolarHBondContact O-N 3.44Å; K1496-L1500 HydrophobicContact CG-CD1 4.03Å; K1496-L1500 WeakPolarHBondContact O-CB 3.5Å; K1496-L1500 WeakPolarHBondContact O-CD1 3.46Å; K1496-L1500 WeakPolarHBondContact O-CG 3.5Å; K1496-L1500 PolarHBondContact O-N 3.16Å; K1496-E1512 HydrophobicContact CB-CG 4.41Å; K1496-E1512 HydrophobicContact CD-CG 3.99Å; K1496-E1512 HydrophobicContact CG-CG 4.1Å; K1496-E1512 IonicContact NZ-OE1 2.86Å; K1496-E1512 PolarHBondContact NZ-OE1 2.92Å; K1496-E1512 IonicContact NZ-OE2 3.53Å |
| 1497 | G | 91 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1493 Y1494 L1500 Y1501 A1509 F1513 | H1493-G1497 PolarHBondContact O-N 3.14Å; Y1494-G1497 PolarHBondContact O-N 2.99Å; G1497-L1500 PolarHBondContact O-N 3.37Å; G1497-Y1501 WeakPolarHBondContact O-CB 3.46Å; G1497-Y1501 PolarHBondContact O-N 3.03Å; G1497-A1509 WeakPolarHBondContact O-CB 3.31Å; G1497-F1513 WeakPolarHBondContact O-CZ 3.26Å |
| 1498 | Q | 90.7 | Very high | 86.4 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 178.2 | -169 | 64.7 | 12.2 | 0 | 0 | 112.8 | L1444 Y1494 T1495 K1496 Q1502 F1513 | L1444-Q1498 HydrophobicContact CD1-CG 4.49Å; L1444-Q1498 HydrophobicContact CD2-CB 4.14Å; L1444-Q1498 HydrophobicContact CD2-CG 3.82Å; Y1494-Q1498 WeakPolarHBondContact O-CB 3.37Å; Y1494-Q1498 PolarHBondContact O-N 3.08Å; T1495-Q1498 PolarHBondContact O-N 3.18Å; K1496-Q1498 VanDerWaalsContact C-N 3.31Å; K1496-Q1498 PolarHBondContact O-N 2.77Å; Q1498-Q1502 WeakPolarHBondContact O-CG 3.46Å; Q1498-Q1502 PolarHBondContact O-N 2.94Å; Q1498-F1513 HydrophobicContact CB-CZ 4.45Å |
| 1499 | I | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 173.6 | -66.3 | 156.8 | 0 | 0 | 0 | 110.5 | L1444 L1464 A1467 L1468 I1471 T1495 K1496 Y1501 Q1502 L1503 | L1444-I1499 HydrophobicContact CB-CG1 4.47Å; L1444-I1499 HydrophobicContact CD1-CG1 3.98Å; L1444-I1499 HydrophobicContact CD2-CG1 4.24Å; L1444-I1499 HydrophobicContact CG-CG1 4.46Å; L1464-I1499 HydrophobicContact CB-CG2 4.14Å; L1464-I1499 HydrophobicContact CD2-CG2 4.21Å; A1467-I1499 HydrophobicContact CB-CD1 3.67Å; A1467-I1499 HydrophobicContact CB-CG1 4.31Å; L1468-I1499 HydrophobicContact CD1-CG2 4.39Å; L1468-I1499 HydrophobicContact CD2-CB 4.26Å; L1468-I1499 HydrophobicContact CD2-CG2 3.85Å; L1468-I1499 HydrophobicContact CG-CG2 3.7Å; I1471-I1499 HydrophobicContact CD1-CD1 3.62Å; T1495-I1499 WeakPolarHBondContact O-CD1 3.35Å; T1495-I1499 WeakPolarHBondContact O-CG1 3.34Å; T1495-I1499 PolarHBondContact O-N 2.84Å; K1496-I1499 PolarHBondContact O-N 3.44Å; I1499-Y1501 VanDerWaalsContact C-N 3.27Å; I1499-Y1501 PolarHBondContact O-N 3.47Å; I1499-Q1502 PolarHBondContact O-N 3.22Å; I1499-Q1502 VanDerWaalsContact O-N 3.16Å; I1499-L1503 HydrophobicContact CG2-CD1 3.98Å; I1499-L1503 HydrophobicContact CG2-CG 4.45Å; I1499-L1503 WeakPolarHBondContact O-CG 3.3Å; I1499-L1503 PolarHBondContact O-N 3.19Å |
| 1500 | L | 90.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 175.9 | -67.8 | 165.3 | 0 | 0 | 0 | 112.2 | L1468 K1496 G1497 L1503 K1504 K1505 E1508 A1509 E1512 | L1468-L1500 HydrophobicContact CD1-CD2 4.49Å; L1468-L1500 HydrophobicContact CD2-CD2 4.48Å; K1496-L1500 HydrophobicContact CG-CD1 4.03Å; K1496-L1500 WeakPolarHBondContact O-CB 3.5Å; K1496-L1500 WeakPolarHBondContact O-CD1 3.46Å; K1496-L1500 WeakPolarHBondContact O-CG 3.5Å; K1496-L1500 PolarHBondContact O-N 3.16Å; G1497-L1500 PolarHBondContact O-N 3.37Å; L1500-L1503 CarbonylContact O-C 3.57Å; L1500-L1503 PolarHBondContact O-N 3.01Å; L1500-K1504 PolarHBondContact O-N 3.2Å; L1500-K1505 HydrophobicContact CB-CB 4.31Å; L1500-K1505 HydrophobicContact CD2-CB 4.28Å; L1500-K1505 HydrophobicContact CD2-CD 3.76Å; L1500-K1505 WeakPolarHBondContact O-CA 3.32Å; L1500-K1505 WeakPolarHBondContact O-CB 3.38Å; L1500-K1505 PolarHBondContact O-N 3Å; L1500-E1508 HydrophobicContact CD1-CB 3.93Å; L1500-E1508 HydrophobicContact CD2-CB 4.22Å; L1500-E1508 WeakPolarHBondContact CD2-OE2 3.44Å; L1500-E1508 HydrophobicContact CG-CB 4.49Å; L1500-A1509 HydrophobicContact CB-CB 3.91Å; L1500-E1512 HydrophobicContact CD1-CG 3.92Å |
| 1501 | Y | 90.3 | Very high | 89 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 18% | 0.18 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 173.1 | 176.6 | -82.1 | 0 | 0 | 0 | 112.2 | G1497 I1499 L1503 K1504 Y1506 C1533 E1536 | G1497-Y1501 WeakPolarHBondContact O-CB 3.46Å; G1497-Y1501 PolarHBondContact O-N 3.03Å; I1499-Y1501 VanDerWaalsContact C-N 3.27Å; I1499-Y1501 PolarHBondContact O-N 3.47Å; Y1501-L1503 VanDerWaalsContact C-N 3.34Å; Y1501-K1504 PolarHBondContact O-N 3.47Å; Y1501-K1504 VanDerWaalsContact O-N 3.1Å; Y1501-Y1506 AromaticContact CD2-CD1 3.85Å; Y1501-Y1506 HydrophobicContact CD2-CD1 3.85Å; Y1501-Y1506 AromaticContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CE2-CD1 4.16Å; Y1501-Y1506 AromaticContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CG-CE1 4.37Å; Y1501-C1533 HydrophobicContact CD2-CB 4.1Å; Y1501-C1533 HydrophobicContact CE2-CB 4.38Å; Y1501-E1536 HydrophobicContact CE2-CG 4.29Å |
| 1502 | Q | 87.5 | Confident | 89.3 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 174.7 | -58.9 | -52.4 | -41.4 | 0 | 0 | 111.5 | L1444 Y1447 L1464 Q1498 I1499 K1504 | L1444-Q1502 HydrophobicContact CD1-CG 4.27Å; Y1447-Q1502 HydrophobicContact CD1-CG 4.34Å; Y1447-Q1502 HydrophobicContact CE1-CB 3.93Å; Y1447-Q1502 HydrophobicContact CE1-CG 3.91Å; L1464-Q1502 HydrophobicContact CD1-CB 3.64Å; L1464-Q1502 HydrophobicContact CD2-CB 4.37Å; Q1498-Q1502 WeakPolarHBondContact O-CG 3.46Å; Q1498-Q1502 PolarHBondContact O-N 2.94Å; I1499-Q1502 PolarHBondContact O-N 3.22Å; I1499-Q1502 VanDerWaalsContact O-N 3.16Å; Q1502-K1504 PolarHBondContact O-N 2.79Å |
| 1503 | L | 86.8 | Confident | 89.5 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 10.9 | 172 | -66.2 | 172.2 | 0 | 0 | 0 | 114 | D1461 L1464 L1468 I1499 L1500 Y1501 K1505 | D1461-L1503 WeakPolarHBondContact OD1-CD2 3.45Å; L1464-L1503 HydrophobicContact CB-CD1 4.41Å; L1464-L1503 HydrophobicContact CB-CD2 3.76Å; L1464-L1503 HydrophobicContact CB-CG 4.09Å; L1464-L1503 HydrophobicContact CD1-CD2 3.71Å; L1464-L1503 HydrophobicContact CD1-CG 3.92Å; L1464-L1503 HydrophobicContact CG-CD2 4.42Å; L1468-L1503 HydrophobicContact CD1-CD1 3.53Å; L1468-L1503 HydrophobicContact CG-CD1 4.34Å; I1499-L1503 HydrophobicContact CG2-CD1 3.98Å; I1499-L1503 HydrophobicContact CG2-CG 4.45Å; I1499-L1503 WeakPolarHBondContact O-CG 3.3Å; I1499-L1503 PolarHBondContact O-N 3.19Å; L1500-L1503 CarbonylContact O-C 3.57Å; L1500-L1503 PolarHBondContact O-N 3.01Å; Y1501-L1503 VanDerWaalsContact C-N 3.34Å; L1503-K1505 HydrophobicContact CB-CD 4.1Å; L1503-K1505 HydrophobicContact CB-CG 4.46Å; L1503-K1505 PolarHBondContact O-N 3.11Å |
| 1504 | K | 85.8 | Confident | 89.6 | Confident | 146 Ų | 146 | 44.8 Ų | 44.8 | 64% | 0.635 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 15.7 | 178.4 | -57.2 | 159.3 | -171.7 | 162.6 | 0 | 113.9 | L1500 Y1501 Q1502 Y1506 | L1500-K1504 PolarHBondContact O-N 3.2Å; Y1501-K1504 PolarHBondContact O-N 3.47Å; Y1501-K1504 VanDerWaalsContact O-N 3.1Å; Q1502-K1504 PolarHBondContact O-N 2.79Å; K1504-Y1506 VanDerWaalsContact C-N 3.29Å; K1504-Y1506 HydrophobicContact CB-CE2 4.19Å; K1504-Y1506 WeakPolarHBondContact O-CD2 3.35Å; K1504-Y1506 PolarHBondContact O-N 3.44Å; K1504-Y1506 VanDerWaalsContact O-N 3.12Å |
| 1505 | K | 89 | Confident | 89.5 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | trans | -86.7 | 55.3 | 179.8 | -76.4 | 164.3 | 149.9 | -87.9 | 0 | 111.6 | L1500 L1503 K1507 E1508 A1509 | L1500-K1505 HydrophobicContact CB-CB 4.31Å; L1500-K1505 HydrophobicContact CD2-CB 4.28Å; L1500-K1505 HydrophobicContact CD2-CD 3.76Å; L1500-K1505 WeakPolarHBondContact O-CA 3.32Å; L1500-K1505 WeakPolarHBondContact O-CB 3.38Å; L1500-K1505 PolarHBondContact O-N 3Å; L1503-K1505 HydrophobicContact CB-CD 4.1Å; L1503-K1505 HydrophobicContact CB-CG 4.46Å; L1503-K1505 PolarHBondContact O-N 3.11Å; K1505-K1507 VanDerWaalsContact C-N 3.29Å; K1505-K1507 PolarHBondContact O-N 3.28Å; K1505-K1507 VanDerWaalsContact O-N 3.1Å; K1505-E1508 HydrophobicContact CB-CB 4.35Å; K1505-E1508 IonicContact NZ-OE1 3.88Å; K1505-E1508 PolarHBondContact NZ-OE1 3.42Å; K1505-E1508 IonicContact NZ-OE2 3.39Å; K1505-E1508 PolarHBondContact NZ-OE2 2.96Å; K1505-E1508 PolarHBondContact O-N 3.05Å; K1505-E1508 VanDerWaalsContact O-N 3.09Å; K1505-A1509 PolarHBondContact O-N 3.23Å | ||
| 1506 | Y | 88.8 | Confident | 89.4 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -32.1 | -166.5 | -53.8 | -64.6 | 0 | 0 | 0 | 115.4 | Y1501 K1504 A1509 E1510 C1533 E1536 M1537 T1540 L1542 | Y1501-Y1506 AromaticContact CD2-CD1 3.85Å; Y1501-Y1506 HydrophobicContact CD2-CD1 3.85Å; Y1501-Y1506 AromaticContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CE2-CD1 4.16Å; Y1501-Y1506 AromaticContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CG-CE1 4.37Å; K1504-Y1506 VanDerWaalsContact C-N 3.29Å; K1504-Y1506 HydrophobicContact CB-CE2 4.19Å; K1504-Y1506 WeakPolarHBondContact O-CD2 3.35Å; K1504-Y1506 PolarHBondContact O-N 3.44Å; K1504-Y1506 VanDerWaalsContact O-N 3.12Å; Y1506-A1509 PolarHBondContact O-N 3.03Å; Y1506-E1510 PolarHBondContact O-N 3.34Å; Y1506-C1533 PolarHBondContact O-SG 3.47Å; Y1506-C1533 VanDerWaalsContact O-SG 3.35Å; Y1506-E1536 HydrophobicContact CD1-CB 4.22Å; Y1506-E1536 HydrophobicContact CE1-CB 4.05Å; Y1506-E1536 HydrophobicContact CE1-CG 4.44Å; Y1506-M1537 VanDerWaalsContact CB-CG 3.48Å; Y1506-M1537 HydrophobicContact CG-CG 4.43Å; Y1506-T1540 HydrophobicContact CE2-CG2 4.32Å; Y1506-L1542 HydrophobicContact CD2-CD1 4.23Å |
| 1507 | K | 87.6 | Confident | 89.2 | Confident | 121 Ų | 121 | 43.8 Ų | 43.8 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.6 | -48.9 | 175.1 | -74.1 | -179.5 | 172.7 | 174.9 | 0 | 112.7 | K1505 A1509 E1510 E1511 M1537 | K1505-K1507 VanDerWaalsContact C-N 3.29Å; K1505-K1507 PolarHBondContact O-N 3.28Å; K1505-K1507 VanDerWaalsContact O-N 3.1Å; K1507-A1509 PolarHBondContact O-N 2.79Å; K1507-E1510 PolarHBondContact O-N 3.49Å; K1507-E1511 PolarHBondContact O-N 3.01Å; K1507-E1511 VanDerWaalsContact O-N 3.1Å; K1507-M1537 HydrophobicContact CG-CE 3.98Å |
| 1508 | E | 90.4 | Very high | 88.9 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 176 | -61.5 | 168.7 | -136.8 | 0 | 0 | 110.6 | L1500 K1505 E1512 | L1500-E1508 HydrophobicContact CD1-CB 3.93Å; L1500-E1508 HydrophobicContact CD2-CB 4.22Å; L1500-E1508 WeakPolarHBondContact CD2-OE2 3.44Å; L1500-E1508 HydrophobicContact CG-CB 4.49Å; K1505-E1508 HydrophobicContact CB-CB 4.35Å; K1505-E1508 IonicContact NZ-OE1 3.88Å; K1505-E1508 PolarHBondContact NZ-OE1 3.42Å; K1505-E1508 IonicContact NZ-OE2 3.39Å; K1505-E1508 PolarHBondContact NZ-OE2 2.96Å; K1505-E1508 PolarHBondContact O-N 3.05Å; K1505-E1508 VanDerWaalsContact O-N 3.09Å; E1508-E1512 PolarHBondContact O-N 2.91Å; E1508-E1512 VanDerWaalsContact O-N 3.13Å |
| 1509 | A | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1497 L1500 K1505 Y1506 K1507 E1511 E1512 F1513 | G1497-A1509 WeakPolarHBondContact O-CB 3.31Å; L1500-A1509 HydrophobicContact CB-CB 3.91Å; K1505-A1509 PolarHBondContact O-N 3.23Å; Y1506-A1509 PolarHBondContact O-N 3.03Å; K1507-A1509 PolarHBondContact O-N 2.79Å; A1509-E1511 VanDerWaalsContact C-N 3.33Å; A1509-E1511 PolarHBondContact O-N 3.42Å; A1509-E1512 PolarHBondContact O-N 2.9Å; A1509-F1513 HydrophobicContact CB-CD2 4.35Å; A1509-F1513 HydrophobicContact CB-CE2 3.96Å; A1509-F1513 WeakPolarHBondContact O-CD2 3.12Å; A1509-F1513 VanDerWaalsContact O-CG 3.32Å; A1509-F1513 WeakPolarHBondContact O-CG 3.48Å; A1509-F1513 PolarHBondContact O-N 3.19Å |
| 1510 | E | 90.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 52 Ų | 52 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.5 | -165.1 | -166.1 | 173.7 | 0 | 0 | 111.7 | Y1506 K1507 E1512 F1513 T1514 R1530 R1534 M1537 | Y1506-E1510 PolarHBondContact O-N 3.34Å; K1507-E1510 PolarHBondContact O-N 3.49Å; E1510-E1512 PolarHBondContact O-N 3.35Å; E1510-F1513 PolarHBondContact O-N 2.9Å; E1510-T1514 HydrophobicContact CG-CG2 4.33Å; E1510-T1514 WeakPolarHBondContact O-CB 3.41Å; E1510-T1514 VanDerWaalsContact O-CG2 3.3Å; E1510-T1514 WeakPolarHBondContact O-CG2 3.1Å; E1510-T1514 PolarHBondContact O-N 2.91Å; E1510-T1514 PolarHBondContact O-OG1 2.91Å; E1510-R1530 HydrophobicContact CG-CG 4.3Å; E1510-R1534 HydrophobicContact CG-CG 4.45Å; E1510-R1534 IonicContact OE1-CZ 3.15Å; E1510-R1534 IonicContact OE1-NE 2.72Å; E1510-R1534 PolarHBondContact OE1-NE 2.81Å; E1510-R1534 IonicContact OE1-NH2 2.72Å; E1510-R1534 PolarHBondContact OE1-NH2 3.44Å; E1510-M1537 HydrophobicContact CB-SD 3.96Å; E1510-M1537 VanDerWaalsContact OE2-CE 3.23Å; E1510-M1537 WeakPolarHBondContact OE2-CE 3.25Å |
| 1511 | E | 90.8 | Very high | 87.5 | Confident | 107 Ų | 107 | 55.5 Ų | 55.5 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 173.6 | -78.1 | -171.5 | -149.5 | 0 | 0 | 112.3 | K1507 A1509 T1514 K1515 | K1507-E1511 PolarHBondContact O-N 3.01Å; K1507-E1511 VanDerWaalsContact O-N 3.1Å; A1509-E1511 VanDerWaalsContact C-N 3.33Å; A1509-E1511 PolarHBondContact O-N 3.42Å; E1511-T1514 WeakPolarHBondContact CA-OG1 3.45Å; E1511-T1514 PolarHBondContact O-N 2.94Å; E1511-T1514 PolarHBondContact O-OG1 3.28Å; E1511-K1515 WeakPolarHBondContact O-CD 3.28Å; E1511-K1515 VanDerWaalsContact O-CE 3.28Å; E1511-K1515 WeakPolarHBondContact O-CE 3.31Å; E1511-K1515 WeakPolarHBondContact O-CG 3.1Å; E1511-K1515 PolarHBondContact O-N 3.07Å; E1511-K1515 IonicContact OE2-NZ 2.68Å; E1511-K1515 PolarHBondContact OE2-NZ 3.3Å |
| 1512 | E | 90.7 | Very high | 86.8 | Confident | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.3 | -33.7 | 178.5 | -65.1 | -62.9 | 149 | 0 | 0 | 112.1 | H1493 K1496 L1500 E1508 A1509 E1510 K1515 A1516 | H1493-E1512 WeakPolarHBondContact CB-O 3.3Å; H1493-E1512 IonicContact CE1-OE2 3.43Å; H1493-E1512 IonicContact CG-OE2 3.74Å; H1493-E1512 IonicContact ND1-OE2 2.67Å; H1493-E1512 PolarHBondContact ND1-OE2 3.09Å; H1493-E1512 WeakPolarHBondContact O-CB 3.28Å; K1496-E1512 HydrophobicContact CB-CG 4.41Å; K1496-E1512 HydrophobicContact CD-CG 3.99Å; K1496-E1512 HydrophobicContact CG-CG 4.1Å; K1496-E1512 IonicContact NZ-OE1 2.86Å; K1496-E1512 PolarHBondContact NZ-OE1 2.92Å; K1496-E1512 IonicContact NZ-OE2 3.53Å; L1500-E1512 HydrophobicContact CD1-CG 3.92Å; E1508-E1512 PolarHBondContact O-N 2.91Å; E1508-E1512 VanDerWaalsContact O-N 3.13Å; A1509-E1512 PolarHBondContact O-N 2.9Å; E1510-E1512 PolarHBondContact O-N 3.35Å; E1512-K1515 PolarHBondContact O-N 3.39Å; E1512-K1515 IonicContact OE1-NZ 3.23Å; E1512-K1515 PolarHBondContact OE1-NZ 3.18Å; E1512-A1516 PolarHBondContact O-N 3.25Å |
| 1513 | F | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 172.2 | -63.7 | -47.5 | 0 | 0 | 0 | 113.4 | Y1494 G1497 Q1498 A1509 E1510 A1516 L1517 I1529 R1530 C1533 | Y1494-F1513 HydrophobicContact CD2-CD1 4.32Å; Y1494-F1513 HydrophobicContact CD2-CE1 4.11Å; G1497-F1513 WeakPolarHBondContact O-CZ 3.26Å; Q1498-F1513 HydrophobicContact CB-CZ 4.45Å; A1509-F1513 HydrophobicContact CB-CD2 4.35Å; A1509-F1513 HydrophobicContact CB-CE2 3.96Å; A1509-F1513 WeakPolarHBondContact O-CD2 3.12Å; A1509-F1513 VanDerWaalsContact O-CG 3.32Å; A1509-F1513 WeakPolarHBondContact O-CG 3.48Å; A1509-F1513 PolarHBondContact O-N 3.19Å; E1510-F1513 PolarHBondContact O-N 2.9Å; F1513-A1516 PolarHBondContact O-N 2.96Å; F1513-L1517 WeakPolarHBondContact O-CB 3.36Å; F1513-L1517 PolarHBondContact O-N 3.48Å; F1513-I1529 HydrophobicContact CD1-CG2 4.15Å; F1513-I1529 HydrophobicContact CD2-CG2 4.35Å; F1513-I1529 HydrophobicContact CE1-CG2 3.5Å; F1513-I1529 HydrophobicContact CE2-CG2 3.74Å; F1513-I1529 HydrophobicContact CZ-CG2 3.26Å; F1513-R1530 HydrophobicContact CB-CB 4.12Å; F1513-R1530 HydrophobicContact CB-CG 4.15Å; F1513-C1533 HydrophobicContact CD2-CB 4.1Å; F1513-C1533 HydrophobicContact CE2-CB 4.06Å |
| 1514 | T | 89.4 | Confident | 86.3 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 31% | 0.307 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | E1510 E1511 L1517 S1518 | E1510-T1514 HydrophobicContact CG-CG2 4.33Å; E1510-T1514 WeakPolarHBondContact O-CB 3.41Å; E1510-T1514 VanDerWaalsContact O-CG2 3.3Å; E1510-T1514 WeakPolarHBondContact O-CG2 3.1Å; E1510-T1514 PolarHBondContact O-N 2.91Å; E1510-T1514 PolarHBondContact O-OG1 2.91Å; E1511-T1514 WeakPolarHBondContact CA-OG1 3.45Å; E1511-T1514 PolarHBondContact O-N 2.94Å; E1511-T1514 PolarHBondContact O-OG1 3.28Å; T1514-L1517 PolarHBondContact O-N 2.81Å; T1514-S1518 PolarHBondContact O-N 3.44Å |
| 1515 | K | 87.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 169.3 | -65.7 | 161.9 | -148.1 | 171.4 | 0 | 112.2 | H1493 E1511 E1512 S1518 L1519 | H1493-K1515 HydrophobicContact CB-CB 4.19Å; E1511-K1515 WeakPolarHBondContact O-CD 3.28Å; E1511-K1515 VanDerWaalsContact O-CE 3.28Å; E1511-K1515 WeakPolarHBondContact O-CE 3.31Å; E1511-K1515 WeakPolarHBondContact O-CG 3.1Å; E1511-K1515 PolarHBondContact O-N 3.07Å; E1511-K1515 IonicContact OE2-NZ 2.68Å; E1511-K1515 PolarHBondContact OE2-NZ 3.3Å; E1512-K1515 PolarHBondContact O-N 3.39Å; E1512-K1515 IonicContact OE1-NZ 3.23Å; E1512-K1515 PolarHBondContact OE1-NZ 3.18Å; K1515-S1518 PolarHBondContact O-OG 3.2Å; K1515-S1518 VanDerWaalsContact O-OG 3.04Å; K1515-L1519 WeakPolarHBondContact O-CG 3.49Å |
| 1516 | A | 86.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1493 E1512 F1513 L1519 L1520 F1526 | H1493-A1516 HydrophobicContact CB-CB 4Å; E1512-A1516 PolarHBondContact O-N 3.25Å; F1513-A1516 PolarHBondContact O-N 2.96Å; A1516-L1519 PolarHBondContact O-N 2.9Å; A1516-L1520 PolarHBondContact O-N 3.02Å; A1516-L1520 VanDerWaalsContact O-N 3.1Å; A1516-F1526 HydrophobicContact CB-CD2 3.9Å; A1516-F1526 HydrophobicContact CB-CE2 3.87Å; A1516-F1526 HydrophobicContact CB-CG 4.47Å; A1516-F1526 HydrophobicContact CB-CZ 4.43Å |
| 1517 | L | 86.4 | Confident | 86 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.2 | -25.7 | 179.8 | -82.1 | 165.2 | 0 | 0 | 0 | 114.4 | F1513 T1514 L1519 L1520 P1521 F1526 Y1527 R1530 | F1513-L1517 WeakPolarHBondContact O-CB 3.36Å; F1513-L1517 PolarHBondContact O-N 3.48Å; T1514-L1517 PolarHBondContact O-N 2.81Å; L1517-L1519 PolarHBondContact O-N 2.95Å; L1517-L1520 CarbonylContact O-C 3.56Å; L1517-P1521 WeakPolarHBondContact O-CA 3.44Å; L1517-P1521 WeakPolarHBondContact O-CB 3.43Å; L1517-P1521 VanDerWaalsContact O-N 3.11Å; L1517-F1526 HydrophobicContact CD1-CB 4.23Å; L1517-F1526 HydrophobicContact CD2-CB 3.56Å; L1517-F1526 HydrophobicContact CD2-CD2 4.33Å; L1517-F1526 HydrophobicContact CD2-CG 4.49Å; L1517-F1526 HydrophobicContact CG-CB 3.67Å; L1517-F1526 HydrophobicContact CG-CD2 4.41Å; L1517-Y1527 HydrophobicContact CD1-CD1 3.81Å; L1517-Y1527 HydrophobicContact CD1-CE1 3.95Å; L1517-Y1527 HydrophobicContact CD1-CG 4.33Å; L1517-Y1527 HydrophobicContact CD2-CD1 4.06Å; L1517-Y1527 HydrophobicContact CD2-CD2 3.83Å; L1517-Y1527 HydrophobicContact CD2-CE1 3.88Å; L1517-Y1527 HydrophobicContact CD2-CE2 3.67Å; L1517-Y1527 HydrophobicContact CD2-CG 4.02Å; L1517-R1530 HydrophobicContact CD1-CB 4.24Å; L1517-R1530 VanDerWaalsContact CD1-CZ 3.4Å; L1517-R1530 VanDerWaalsContact CD1-NH1 3.31Å |
| 1518 | S | 84.9 | Confident | 86 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68.5 | -17.6 | 172.1 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | T1514 K1515 | T1514-S1518 PolarHBondContact O-N 3.44Å; K1515-S1518 PolarHBondContact O-OG 3.2Å; K1515-S1518 VanDerWaalsContact O-OG 3.04Å |
| 1519 | L | 81 | Confident | 85.8 | Confident | 52 Ų | 52 | 46 Ų | 46 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -102.3 | -31.2 | -179.9 | -54.5 | -179.2 | 0 | 0 | 0 | 113.4 | T1487 P1490 K1515 A1516 L1517 | T1487-L1519 VanDerWaalsContact C-CD1 3.45Å; T1487-L1519 WeakPolarHBondContact O-CD1 3.5Å; T1487-L1519 WeakPolarHBondContact O-CD2 3.22Å; P1490-L1519 HydrophobicContact CB-CB 4.05Å; P1490-L1519 HydrophobicContact CG-CB 3.79Å; P1490-L1519 HydrophobicContact CG-CD1 4.46Å; K1515-L1519 WeakPolarHBondContact O-CG 3.49Å; A1516-L1519 PolarHBondContact O-N 2.9Å; L1517-L1519 PolarHBondContact O-N 2.95Å |
| 1520 | L | 80.8 | Confident | 85.7 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | trans | -130.5 | 75.1 | 170 | -73.8 | 175.6 | 0 | 0 | 0 | 110.7 | P1490 A1516 L1517 S1522 N1523 F1526 | P1490-L1520 HydrophobicContact CB-CB 4.48Å; P1490-L1520 HydrophobicContact CB-CD1 3.94Å; P1490-L1520 HydrophobicContact CB-CG 4.12Å; P1490-L1520 HydrophobicContact CG-CB 4.49Å; P1490-L1520 HydrophobicContact CG-CD1 3.63Å; P1490-L1520 HydrophobicContact CG-CG 3.66Å; A1516-L1520 PolarHBondContact O-N 3.02Å; A1516-L1520 VanDerWaalsContact O-N 3.1Å; L1517-L1520 CarbonylContact O-C 3.56Å; L1520-S1522 PolarHBondContact O-N 2.82Å; L1520-S1522 VanDerWaalsContact O-N 3.11Å; L1520-N1523 HydrophobicContact CB-CB 4.09Å; L1520-N1523 PolarHBondContact O-N 2.95Å; L1520-N1523 VanDerWaalsContact O-N 3.13Å; L1520-F1526 HydrophobicContact CB-CD2 4.39Å; L1520-F1526 HydrophobicContact CB-CE2 4.03Å; L1520-F1526 HydrophobicContact CD1-CE2 4.2Å | ||
| 1521 | P | 80.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 46.1 Ų | 46.1 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -3.2 | -178 | 29.3 | -36.7 | 0 | 0 | 0 | 114.1 | L1517 Y1527 | L1517-P1521 WeakPolarHBondContact O-CA 3.44Å; L1517-P1521 WeakPolarHBondContact O-CB 3.43Å; L1517-P1521 VanDerWaalsContact O-N 3.11Å; P1521-Y1527 VanDerWaalsContact O-CE2 3.29Å; P1521-Y1527 WeakPolarHBondContact O-CE2 3.44Å; P1521-Y1527 PolarHBondContact O-OH 2.71Å |
| 1522 | S | 76.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -8 | 172.9 | 53 | 0 | 0 | 0 | 0 | 113.7 | L1520 K1524 T1563 | L1520-S1522 PolarHBondContact O-N 2.82Å; L1520-S1522 VanDerWaalsContact O-N 3.11Å; S1522-K1524 PolarHBondContact O-N 3.45Å; S1522-K1524 VanDerWaalsContact O-N 3.12Å; S1522-T1563 WeakPolarHBondContact O-CG2 3.32Å |
| 1523 | N | 80.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | trans | -80.8 | 100.8 | -170.3 | -172.3 | -5.8 | 0 | 0 | 0 | 112.7 | L1520 Y1525 F1526 Y1527 | L1520-N1523 HydrophobicContact CB-CB 4.09Å; L1520-N1523 PolarHBondContact O-N 2.95Å; L1520-N1523 VanDerWaalsContact O-N 3.13Å; N1523-Y1525 VanDerWaalsContact C-N 3.29Å; N1523-Y1525 PolarHBondContact O-N 2.9Å; N1523-Y1525 PolarHBondContact OD1-N 3.38Å; N1523-Y1525 VanDerWaalsContact OD1-N 3.15Å; N1523-F1526 HydrophobicContact CB-CB 4.39Å; N1523-F1526 HydrophobicContact CB-CD2 3.81Å; N1523-F1526 HydrophobicContact CB-CE2 4.24Å; N1523-F1526 HydrophobicContact CB-CG 3.99Å; N1523-F1526 VanDerWaalsContact ND2-CD1 3.31Å; N1523-F1526 WeakPolarHBondContact ND2-CD1 3.23Å; N1523-F1526 WeakPolarHBondContact ND2-CE1 3.38Å; N1523-F1526 WeakPolarHBondContact ND2-CE2 3.19Å; N1523-F1526 VanDerWaalsContact ND2-CZ 3.27Å; N1523-F1526 WeakPolarHBondContact ND2-CZ 3.38Å; N1523-F1526 PolarHBondContact O-N 3.45Å; N1523-Y1527 PolarHBondContact O-N 3.12Å | ||
| 1524 | K | 83.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -42 | -49.5 | 173.6 | 174.9 | 174.6 | 173.8 | -178.7 | 0 | 114 | S1522 F1526 Y1527 E1528 A1559 N1560 | S1522-K1524 PolarHBondContact O-N 3.45Å; S1522-K1524 VanDerWaalsContact O-N 3.12Å; K1524-F1526 VanDerWaalsContact C-N 3.25Å; K1524-F1526 PolarHBondContact O-N 2.88Å; K1524-Y1527 WeakPolarHBondContact O-CB 3.16Å; K1524-Y1527 PolarHBondContact O-N 3.05Å; K1524-Y1527 VanDerWaalsContact O-N 3.07Å; K1524-E1528 WeakPolarHBondContact CE-OE1 3.31Å; K1524-E1528 HydrophobicContact CG-CG 4.27Å; K1524-E1528 IonicContact NZ-OE1 3.54Å; K1524-E1528 PolarHBondContact O-N 2.72Å; K1524-A1559 HydrophobicContact CB-CB 3.86Å; K1524-N1560 VanDerWaalsContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CE-OD1 3.31Å; K1524-N1560 PolarHBondContact NZ-OD1 2.83Å |
| 1525 | Y | 83.2 | Confident | 85.2 | Confident | 148 Ų | 148 | 47.6 Ų | 47.6 | 58% | 0.58 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.9 | -31.5 | -174.8 | -66.5 | -71.3 | 0 | 0 | 0 | 112.8 | N1523 I1529 | N1523-Y1525 VanDerWaalsContact C-N 3.29Å; N1523-Y1525 PolarHBondContact O-N 2.9Å; N1523-Y1525 PolarHBondContact OD1-N 3.38Å; N1523-Y1525 VanDerWaalsContact OD1-N 3.15Å; Y1525-I1529 WeakPolarHBondContact O-CB 3.47Å; Y1525-I1529 PolarHBondContact O-N 3.04Å; Y1525-I1529 VanDerWaalsContact O-N 3.1Å |
| 1526 | F | 87.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.2 | -36.6 | 175.8 | -63.7 | -7.1 | 0 | 0 | 0 | 111.2 | P1490 Y1494 A1516 L1517 L1520 N1523 K1524 R1530 | P1490-F1526 HydrophobicContact CB-CE2 3.75Å; P1490-F1526 HydrophobicContact CB-CZ 4.1Å; Y1494-F1526 HydrophobicContact CD1-CE1 4.13Å; Y1494-F1526 AromaticContact CD2-CD1 3.3Å; Y1494-F1526 HydrophobicContact CD2-CD1 3.3Å; Y1494-F1526 AromaticContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CG 4.32Å; Y1494-F1526 HydrophobicContact CD2-CZ 4.35Å; Y1494-F1526 AromaticContact CE2-CD1 3.69Å; Y1494-F1526 HydrophobicContact CE2-CD1 3.69Å; Y1494-F1526 AromaticContact CE2-CE1 3.91Å; Y1494-F1526 HydrophobicContact CE2-CE1 3.91Å; Y1494-F1526 AromaticContact CG-CD1 3.94Å; Y1494-F1526 HydrophobicContact CG-CD1 3.94Å; Y1494-F1526 AromaticContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CE1 3.43Å; Y1494-F1526 VanDerWaalsContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CZ 4.18Å; A1516-F1526 HydrophobicContact CB-CD2 3.9Å; A1516-F1526 HydrophobicContact CB-CE2 3.87Å; A1516-F1526 HydrophobicContact CB-CG 4.47Å; A1516-F1526 HydrophobicContact CB-CZ 4.43Å; L1517-F1526 HydrophobicContact CD1-CB 4.23Å; L1517-F1526 HydrophobicContact CD2-CB 3.56Å; L1517-F1526 HydrophobicContact CD2-CD2 4.33Å; L1517-F1526 HydrophobicContact CD2-CG 4.49Å; L1517-F1526 HydrophobicContact CG-CB 3.67Å; L1517-F1526 HydrophobicContact CG-CD2 4.41Å; L1520-F1526 HydrophobicContact CB-CD2 4.39Å; L1520-F1526 HydrophobicContact CB-CE2 4.03Å; L1520-F1526 HydrophobicContact CD1-CE2 4.2Å; N1523-F1526 HydrophobicContact CB-CB 4.39Å; N1523-F1526 HydrophobicContact CB-CD2 3.81Å; N1523-F1526 HydrophobicContact CB-CE2 4.24Å; N1523-F1526 HydrophobicContact CB-CG 3.99Å; N1523-F1526 VanDerWaalsContact ND2-CD1 3.31Å; N1523-F1526 WeakPolarHBondContact ND2-CD1 3.23Å; N1523-F1526 WeakPolarHBondContact ND2-CE1 3.38Å; N1523-F1526 WeakPolarHBondContact ND2-CE2 3.19Å; N1523-F1526 VanDerWaalsContact ND2-CZ 3.27Å; N1523-F1526 WeakPolarHBondContact ND2-CZ 3.38Å; N1523-F1526 PolarHBondContact O-N 3.45Å; K1524-F1526 VanDerWaalsContact C-N 3.25Å; K1524-F1526 PolarHBondContact O-N 2.88Å; F1526-R1530 WeakPolarHBondContact O-CB 3.5Å; F1526-R1530 PolarHBondContact O-N 3.33Å |
| 1527 | Y | 87 | Confident | 85.2 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 171.4 | -72.3 | -68.4 | 0 | 0 | 0 | 112.5 | L1517 P1521 N1523 K1524 I1529 R1530 C1531 D1552 L1555 | L1517-Y1527 HydrophobicContact CD1-CD1 3.81Å; L1517-Y1527 HydrophobicContact CD1-CE1 3.95Å; L1517-Y1527 HydrophobicContact CD1-CG 4.33Å; L1517-Y1527 HydrophobicContact CD2-CD1 4.06Å; L1517-Y1527 HydrophobicContact CD2-CD2 3.83Å; L1517-Y1527 HydrophobicContact CD2-CE1 3.88Å; L1517-Y1527 HydrophobicContact CD2-CE2 3.67Å; L1517-Y1527 HydrophobicContact CD2-CG 4.02Å; P1521-Y1527 VanDerWaalsContact O-CE2 3.29Å; P1521-Y1527 WeakPolarHBondContact O-CE2 3.44Å; P1521-Y1527 PolarHBondContact O-OH 2.71Å; N1523-Y1527 PolarHBondContact O-N 3.12Å; K1524-Y1527 WeakPolarHBondContact O-CB 3.16Å; K1524-Y1527 PolarHBondContact O-N 3.05Å; K1524-Y1527 VanDerWaalsContact O-N 3.07Å; Y1527-I1529 VanDerWaalsContact C-N 3.28Å; Y1527-I1529 PolarHBondContact O-N 3.49Å; Y1527-R1530 PolarHBondContact O-N 3Å; Y1527-C1531 WeakPolarHBondContact O-CB 3.25Å; Y1527-C1531 PolarHBondContact O-N 2.94Å; Y1527-D1552 HydrophobicContact CD1-CB 4.5Å; Y1527-L1555 HydrophobicContact CD1-CB 3.71Å; Y1527-L1555 HydrophobicContact CD1-CD1 4.21Å; Y1527-L1555 HydrophobicContact CD2-CB 4.22Å; Y1527-L1555 HydrophobicContact CE1-CB 3.65Å; Y1527-L1555 HydrophobicContact CE1-CD1 3.59Å; Y1527-L1555 HydrophobicContact CE1-CG 4.19Å; Y1527-L1555 HydrophobicContact CE2-CB 4.15Å; Y1527-L1555 HydrophobicContact CG-CB 4Å |
| 1528 | E | 86.4 | Confident | 85.2 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 177.1 | -70.6 | -175.3 | 164.4 | 0 | 0 | 112.4 | K1524 C1531 K1532 | K1524-E1528 WeakPolarHBondContact CE-OE1 3.31Å; K1524-E1528 HydrophobicContact CG-CG 4.27Å; K1524-E1528 IonicContact NZ-OE1 3.54Å; K1524-E1528 PolarHBondContact O-N 2.72Å; E1528-C1531 WeakPolarHBondContact O-CB 3.26Å; E1528-K1532 WeakPolarHBondContact O-CG 3.22Å; E1528-K1532 PolarHBondContact O-N 3.04Å; E1528-K1532 VanDerWaalsContact O-N 3.11Å |
| 1529 | I | 86.3 | Confident | 85.1 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82 | -35.4 | -179.4 | -74 | 166.6 | 0 | 0 | 0 | 111.9 | Y1494 F1513 Y1525 Y1527 C1531 K1532 C1533 | Y1494-I1529 HydrophobicContact CE2-CD1 3.65Å; Y1494-I1529 WeakPolarHBondContact OH-CD1 3.43Å; F1513-I1529 HydrophobicContact CD1-CG2 4.15Å; F1513-I1529 HydrophobicContact CD2-CG2 4.35Å; F1513-I1529 HydrophobicContact CE1-CG2 3.5Å; F1513-I1529 HydrophobicContact CE2-CG2 3.74Å; F1513-I1529 HydrophobicContact CZ-CG2 3.26Å; Y1525-I1529 WeakPolarHBondContact O-CB 3.47Å; Y1525-I1529 PolarHBondContact O-N 3.04Å; Y1525-I1529 VanDerWaalsContact O-N 3.1Å; Y1527-I1529 VanDerWaalsContact C-N 3.28Å; Y1527-I1529 PolarHBondContact O-N 3.49Å; I1529-C1531 VanDerWaalsContact C-N 3.31Å; I1529-C1531 PolarHBondContact O-N 3.41Å; I1529-K1532 PolarHBondContact O-N 3.1Å; I1529-C1533 WeakPolarHBondContact O-CB 3.44Å; I1529-C1533 PolarHBondContact O-N 2.82Å |
| 1530 | R | 89.3 | Confident | 85.2 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 168.7 | -164.9 | 174.3 | 70.3 | -169.2 | 3.3 | 111.7 | E1510 F1513 L1517 F1526 Y1527 C1533 R1534 D1552 | E1510-R1530 HydrophobicContact CG-CG 4.3Å; F1513-R1530 HydrophobicContact CB-CB 4.12Å; F1513-R1530 HydrophobicContact CB-CG 4.15Å; L1517-R1530 HydrophobicContact CD1-CB 4.24Å; L1517-R1530 VanDerWaalsContact CD1-CZ 3.4Å; L1517-R1530 VanDerWaalsContact CD1-NH1 3.31Å; F1526-R1530 WeakPolarHBondContact O-CB 3.5Å; F1526-R1530 PolarHBondContact O-N 3.33Å; Y1527-R1530 PolarHBondContact O-N 3Å; R1530-C1533 PolarHBondContact O-N 3.21Å; R1530-R1534 HydrophobicContact CG-CG 4.43Å; R1530-R1534 WeakPolarHBondContact O-CB 3.4Å; R1530-R1534 WeakPolarHBondContact O-CG 3.45Å; R1530-R1534 PolarHBondContact O-N 2.81Å; R1530-D1552 WeakPolarHBondContact CG-OD2 3.29Å; R1530-D1552 IonicContact CZ-OD1 3.7Å; R1530-D1552 IonicContact CZ-OD2 3.56Å; R1530-D1552 IonicContact NE-OD1 3.8Å; R1530-D1552 PolarHBondContact NE-OD1 2.89Å; R1530-D1552 IonicContact NE-OD2 3.08Å; R1530-D1552 PolarHBondContact NE-OD2 2.99Å; R1530-D1552 IonicContact NH2-OD1 2.79Å; R1530-D1552 PolarHBondContact NH2-OD1 3.47Å; R1530-D1552 IonicContact NH2-OD2 3.88Å |
| 1531 | C | 88.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 9% | 0.088 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | Y1527 E1528 I1529 R1534 E1535 V1549 D1552 | Y1527-C1531 WeakPolarHBondContact O-CB 3.25Å; Y1527-C1531 PolarHBondContact O-N 2.94Å; E1528-C1531 WeakPolarHBondContact O-CB 3.26Å; I1529-C1531 VanDerWaalsContact C-N 3.31Å; I1529-C1531 PolarHBondContact O-N 3.41Å; C1531-R1534 PolarHBondContact O-N 3.02Å; C1531-E1535 WeakPolarHBondContact O-CB 3.33Å; C1531-E1535 PolarHBondContact O-N 3.36Å; C1531-V1549 VanDerWaalsContact SG-CG1 3.54Å; C1531-D1552 HydrophobicContact CB-CB 3.91Å |
| 1532 | K | 88 | Confident | 84.8 | Confident | 114 Ų | 114 | 54.9 Ų | 54.9 | 50% | 0.496 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.5 | -72.5 | 169.7 | -178.1 | 175.6 | 0 | 112.6 | E1528 I1529 R1534 E1535 E1536 | E1528-K1532 WeakPolarHBondContact O-CG 3.22Å; E1528-K1532 PolarHBondContact O-N 3.04Å; E1528-K1532 VanDerWaalsContact O-N 3.11Å; I1529-K1532 PolarHBondContact O-N 3.1Å; K1532-R1534 VanDerWaalsContact C-N 3.34Å; K1532-R1534 PolarHBondContact O-N 3.11Å; K1532-E1535 PolarHBondContact O-N 3.06Å; K1532-E1536 PolarHBondContact O-N 3.22Å |
| 1533 | C | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.6 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | Y1501 Y1506 F1513 I1529 R1530 E1536 M1537 | Y1501-C1533 HydrophobicContact CD2-CB 4.1Å; Y1501-C1533 HydrophobicContact CE2-CB 4.38Å; Y1506-C1533 PolarHBondContact O-SG 3.47Å; Y1506-C1533 VanDerWaalsContact O-SG 3.35Å; F1513-C1533 HydrophobicContact CD2-CB 4.1Å; F1513-C1533 HydrophobicContact CE2-CB 4.06Å; I1529-C1533 WeakPolarHBondContact O-CB 3.44Å; I1529-C1533 PolarHBondContact O-N 2.82Å; R1530-C1533 PolarHBondContact O-N 3.21Å; C1533-E1536 PolarHBondContact O-N 2.86Å; C1533-M1537 VanDerWaalsContact O-CG 3.27Å; C1533-M1537 WeakPolarHBondContact O-CG 3.38Å; C1533-M1537 PolarHBondContact O-N 3.31Å |
| 1534 | R | 88.1 | Confident | 83.9 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.1 | -33.1 | 176.5 | -74.3 | 171.2 | 165.4 | -168 | -14.1 | 112.9 | E1510 R1530 C1531 K1532 M1537 Y1538 N1548 V1549 D1552 | E1510-R1534 HydrophobicContact CG-CG 4.45Å; E1510-R1534 IonicContact OE1-CZ 3.15Å; E1510-R1534 IonicContact OE1-NE 2.72Å; E1510-R1534 PolarHBondContact OE1-NE 2.81Å; E1510-R1534 IonicContact OE1-NH2 2.72Å; E1510-R1534 PolarHBondContact OE1-NH2 3.44Å; R1530-R1534 HydrophobicContact CG-CG 4.43Å; R1530-R1534 WeakPolarHBondContact O-CB 3.4Å; R1530-R1534 WeakPolarHBondContact O-CG 3.45Å; R1530-R1534 PolarHBondContact O-N 2.81Å; C1531-R1534 PolarHBondContact O-N 3.02Å; K1532-R1534 VanDerWaalsContact C-N 3.34Å; K1532-R1534 PolarHBondContact O-N 3.11Å; R1534-M1537 PolarHBondContact O-N 3.35Å; R1534-Y1538 WeakPolarHBondContact O-CB 3.36Å; R1534-Y1538 PolarHBondContact O-N 3.06Å; R1534-N1548 PolarHBondContact NH1-O 2.81Å; R1534-V1549 HydrophobicContact CB-CG2 3.88Å; R1534-D1552 VanDerWaalsContact CD-OD2 3.24Å; R1534-D1552 WeakPolarHBondContact CD-OD2 3.43Å; R1534-D1552 IonicContact CZ-OD2 2.69Å; R1534-D1552 IonicContact NE-OD2 2.87Å; R1534-D1552 IonicContact NH1-OD1 3.13Å; R1534-D1552 PolarHBondContact NH1-OD1 3.4Å; R1534-D1552 VanDerWaalsContact NH1-OD1 3.13Å; R1534-D1552 IonicContact NH1-OD2 2.82Å; R1534-D1552 PolarHBondContact NH1-OD2 3.01Å |
| 1535 | E | 87.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 172.1 | -163.5 | -172.7 | 164 | 0 | 0 | 110.8 | C1531 K1532 M1537 Y1538 R1539 V1549 | C1531-E1535 WeakPolarHBondContact O-CB 3.33Å; C1531-E1535 PolarHBondContact O-N 3.36Å; K1532-E1535 PolarHBondContact O-N 3.06Å; E1535-M1537 VanDerWaalsContact C-N 3.35Å; E1535-M1537 PolarHBondContact O-N 3.41Å; E1535-Y1538 WeakPolarHBondContact O-CB 3.43Å; E1535-Y1538 PolarHBondContact O-N 3.48Å; E1535-Y1538 VanDerWaalsContact O-N 3.13Å; E1535-R1539 VanDerWaalsContact O-CG 3.29Å; E1535-R1539 WeakPolarHBondContact O-CG 3.29Å; E1535-R1539 PolarHBondContact O-N 2.94Å; E1535-R1539 IonicContact OE1-CZ 3.51Å; E1535-R1539 VanDerWaalsContact OE1-CZ 3.3Å; E1535-R1539 IonicContact OE1-NE 2.66Å; E1535-R1539 PolarHBondContact OE1-NE 3.07Å; E1535-R1539 IonicContact OE1-NH2 3.34Å; E1535-R1539 PolarHBondContact OE1-NH2 3.47Å; E1535-V1549 HydrophobicContact CB-CG1 4.28Å |
| 1536 | E | 86.6 | Confident | 83.7 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -36 | 173.3 | -67.4 | -54.6 | 151.2 | 0 | 0 | 112.6 | Y1501 Y1506 K1532 C1533 Y1538 R1539 T1540 | Y1501-E1536 HydrophobicContact CE2-CG 4.29Å; Y1506-E1536 HydrophobicContact CD1-CB 4.22Å; Y1506-E1536 HydrophobicContact CE1-CB 4.05Å; Y1506-E1536 HydrophobicContact CE1-CG 4.44Å; K1532-E1536 PolarHBondContact O-N 3.22Å; C1533-E1536 PolarHBondContact O-N 2.86Å; E1536-Y1538 VanDerWaalsContact C-N 3.29Å; E1536-Y1538 PolarHBondContact O-N 2.94Å; E1536-R1539 PolarHBondContact O-N 3.16Å; E1536-R1539 WeakPolarHBondContact OE1-CD 3.39Å; E1536-R1539 IonicContact OE1-CZ 3.2Å; E1536-R1539 IonicContact OE1-NE 3.85Å; E1536-R1539 IonicContact OE1-NH1 2.78Å; E1536-R1539 PolarHBondContact OE1-NH1 2.86Å; E1536-R1539 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1539 WeakPolarHBondContact OE2-CD 3.49Å; E1536-R1539 IonicContact OE2-NH1 3.3Å; E1536-T1540 WeakPolarHBondContact O-CB 3.36Å; E1536-T1540 WeakPolarHBondContact O-CG2 3.49Å; E1536-T1540 PolarHBondContact O-N 2.88Å; E1536-T1540 PolarHBondContact O-OG1 3.47Å |
| 1537 | M | 87 | Confident | 83.4 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -30.3 | 171.2 | -73.5 | 174.3 | 62.5 | 0 | 0 | 113.2 | Y1506 K1507 E1510 C1533 R1534 E1535 T1540 G1541 L1542 S1543 | Y1506-M1537 VanDerWaalsContact CB-CG 3.48Å; Y1506-M1537 HydrophobicContact CG-CG 4.43Å; K1507-M1537 HydrophobicContact CG-CE 3.98Å; E1510-M1537 HydrophobicContact CB-SD 3.96Å; E1510-M1537 VanDerWaalsContact OE2-CE 3.23Å; E1510-M1537 WeakPolarHBondContact OE2-CE 3.25Å; C1533-M1537 VanDerWaalsContact O-CG 3.27Å; C1533-M1537 WeakPolarHBondContact O-CG 3.38Å; C1533-M1537 PolarHBondContact O-N 3.31Å; R1534-M1537 PolarHBondContact O-N 3.35Å; E1535-M1537 VanDerWaalsContact C-N 3.35Å; E1535-M1537 PolarHBondContact O-N 3.41Å; M1537-T1540 WeakPolarHBondContact CA-OG1 3.35Å; M1537-G1541 PolarHBondContact O-N 2.94Å; M1537-L1542 HydrophobicContact CB-CB 4.04Å; M1537-L1542 HydrophobicContact CE-CB 4.42Å; M1537-L1542 HydrophobicContact CG-CB 4.19Å; M1537-L1542 HydrophobicContact CG-CD1 4.25Å; M1537-L1542 CarbonylContact O-C 3.58Å; M1537-L1542 WeakPolarHBondContact O-CA 3.26Å; M1537-L1542 WeakPolarHBondContact O-CB 3.47Å; M1537-L1542 PolarHBondContact O-N 3.21Å; M1537-S1543 PolarHBondContact O-N 3.4Å; M1537-S1543 VanDerWaalsContact O-N 3.07Å |
| 1538 | Y | 85.5 | Confident | 83.2 | Confident | 109 Ų | 109 | 65.3 Ų | 65.3 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74 | -46.8 | 172.3 | -176.4 | -100.5 | 0 | 0 | 0 | 111 | R1534 E1535 E1536 T1540 G1541 Y1546 | R1534-Y1538 WeakPolarHBondContact O-CB 3.36Å; R1534-Y1538 PolarHBondContact O-N 3.06Å; E1535-Y1538 WeakPolarHBondContact O-CB 3.43Å; E1535-Y1538 PolarHBondContact O-N 3.48Å; E1535-Y1538 VanDerWaalsContact O-N 3.13Å; E1536-Y1538 VanDerWaalsContact C-N 3.29Å; E1536-Y1538 PolarHBondContact O-N 2.94Å; Y1538-T1540 VanDerWaalsContact C-N 3.27Å; Y1538-T1540 PolarHBondContact O-N 3.43Å; Y1538-G1541 PolarHBondContact O-N 3.36Å; Y1538-G1541 VanDerWaalsContact O-N 3.11Å; Y1538-Y1546 AromaticContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CE2 4.34Å; Y1538-Y1546 HydrophobicContact CD2-CD2 4.36Å; Y1538-Y1546 AromaticContact CE1-CD2 3.91Å; Y1538-Y1546 HydrophobicContact CE1-CD2 3.91Å; Y1538-Y1546 AromaticContact CG-CD2 3.98Å; Y1538-Y1546 HydrophobicContact CG-CD2 3.98Å |
| 1539 | R | 83.9 | Confident | 83.1 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.2 | -35.8 | 176.2 | -68.9 | 165.9 | 178.5 | -158.7 | -2.2 | 112.9 | E1535 E1536 | E1535-R1539 VanDerWaalsContact O-CG 3.29Å; E1535-R1539 WeakPolarHBondContact O-CG 3.29Å; E1535-R1539 PolarHBondContact O-N 2.94Å; E1535-R1539 IonicContact OE1-CZ 3.51Å; E1535-R1539 VanDerWaalsContact OE1-CZ 3.3Å; E1535-R1539 IonicContact OE1-NE 2.66Å; E1535-R1539 PolarHBondContact OE1-NE 3.07Å; E1535-R1539 IonicContact OE1-NH2 3.34Å; E1535-R1539 PolarHBondContact OE1-NH2 3.47Å; E1536-R1539 PolarHBondContact O-N 3.16Å; E1536-R1539 WeakPolarHBondContact OE1-CD 3.39Å; E1536-R1539 IonicContact OE1-CZ 3.2Å; E1536-R1539 IonicContact OE1-NE 3.85Å; E1536-R1539 IonicContact OE1-NH1 2.78Å; E1536-R1539 PolarHBondContact OE1-NH1 2.86Å; E1536-R1539 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1539 WeakPolarHBondContact OE2-CD 3.49Å; E1536-R1539 IonicContact OE2-NH1 3.3Å |
| 1540 | T | 81.7 | Confident | 83 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | Y1506 E1536 M1537 Y1538 L1542 | Y1506-T1540 HydrophobicContact CE2-CG2 4.32Å; E1536-T1540 WeakPolarHBondContact O-CB 3.36Å; E1536-T1540 WeakPolarHBondContact O-CG2 3.49Å; E1536-T1540 PolarHBondContact O-N 2.88Å; E1536-T1540 PolarHBondContact O-OG1 3.47Å; M1537-T1540 WeakPolarHBondContact CA-OG1 3.35Å; Y1538-T1540 VanDerWaalsContact C-N 3.27Å; Y1538-T1540 PolarHBondContact O-N 3.43Å; T1540-L1542 VanDerWaalsContact C-N 3.27Å; T1540-L1542 PolarHBondContact O-N 3.02Å; T1540-L1542 WeakPolarHBondContact OG1-CD1 3.26Å; T1540-L1542 WeakPolarHBondContact OG1-CG 2.96Å |
| 1541 | G | 79 | Confident | 82.8 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 18.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1537 Y1538 | M1537-G1541 PolarHBondContact O-N 2.94Å; Y1538-G1541 PolarHBondContact O-N 3.36Å; Y1538-G1541 VanDerWaalsContact O-N 3.11Å |
| 1542 | L | 74.9 | Confident | 82.6 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -84.1 | -14.1 | 177.1 | -61.3 | 175.9 | 0 | 0 | 0 | 113.5 | Y1506 M1537 T1540 | Y1506-L1542 HydrophobicContact CD2-CD1 4.23Å; M1537-L1542 HydrophobicContact CB-CB 4.04Å; M1537-L1542 HydrophobicContact CE-CB 4.42Å; M1537-L1542 HydrophobicContact CG-CB 4.19Å; M1537-L1542 HydrophobicContact CG-CD1 4.25Å; M1537-L1542 CarbonylContact O-C 3.58Å; M1537-L1542 WeakPolarHBondContact O-CA 3.26Å; M1537-L1542 WeakPolarHBondContact O-CB 3.47Å; M1537-L1542 PolarHBondContact O-N 3.21Å; T1540-L1542 VanDerWaalsContact C-N 3.27Å; T1540-L1542 PolarHBondContact O-N 3.02Å; T1540-L1542 WeakPolarHBondContact OG1-CD1 3.26Å; T1540-L1542 WeakPolarHBondContact OG1-CG 2.96Å |
| 1543 | S | 73.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | trans | -145 | 143.2 | 171.6 | 83.4 | 0 | 0 | 0 | 0 | 112.4 | M1537 | M1537-S1543 PolarHBondContact O-N 3.4Å; M1537-S1543 VanDerWaalsContact O-N 3.07Å | ||
| 1544 | N | 65.2 | Low | 82.1 | Confident | 157 Ų | 157 | 74.2 Ų | 74.2 | 84% | 0.84 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -93.3 | -8.5 | -175.8 | -66.8 | -1.5 | 0 | 0 | 0 | 114.1 | ||
| 1545 | S | 75.7 | Confident | 81.9 | Confident | 41 Ų | 41 | 75.9 Ų | 75.9 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | trans | -113.8 | 87.2 | -165.2 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | E1547 N1548 | S1545-E1547 PolarHBondContact O-N 3Å; S1545-E1547 VanDerWaalsContact O-N 3.11Å; S1545-N1548 WeakPolarHBondContact O-CB 3.31Å; S1545-N1548 PolarHBondContact O-N 3.27Å; S1545-N1548 PolarHBondContact OG-ND2 3.27Å; S1545-N1548 VanDerWaalsContact OG-ND2 3.15Å | ||
| 1546 | Y | 84.7 | Confident | 81.6 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 38% | 0.384 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | 173 | -165.9 | -103.3 | 0 | 0 | 0 | 112.7 | Y1538 N1548 V1549 L1550 | Y1538-Y1546 AromaticContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CE2 4.34Å; Y1538-Y1546 HydrophobicContact CD2-CD2 4.36Å; Y1538-Y1546 AromaticContact CE1-CD2 3.91Å; Y1538-Y1546 HydrophobicContact CE1-CD2 3.91Å; Y1538-Y1546 AromaticContact CG-CD2 3.98Å; Y1538-Y1546 HydrophobicContact CG-CD2 3.98Å; Y1546-N1548 PolarHBondContact O-N 2.96Å; Y1546-V1549 HydrophobicContact CD2-CB 4.28Å; Y1546-V1549 HydrophobicContact CD2-CG2 4.04Å; Y1546-V1549 HydrophobicContact CE2-CB 4.27Å; Y1546-V1549 HydrophobicContact CE2-CG1 4.29Å; Y1546-V1549 HydrophobicContact CE2-CG2 4.29Å; Y1546-V1549 WeakPolarHBondContact O-CB 3.33Å; Y1546-V1549 PolarHBondContact O-N 2.94Å; Y1546-L1550 HydrophobicContact CD1-CD1 3.9Å; Y1546-L1550 HydrophobicContact CD1-CD2 4.49Å; Y1546-L1550 HydrophobicContact CD1-CG 3.91Å; Y1546-L1550 HydrophobicContact CE1-CD1 4.15Å; Y1546-L1550 HydrophobicContact CE1-CD2 3.96Å; Y1546-L1550 HydrophobicContact CE1-CG 3.88Å; Y1546-L1550 PolarHBondContact O-N 3.25Å; Y1546-L1550 VanDerWaalsContact O-N 3.11Å |
| 1547 | E | 82.3 | Confident | 81.2 | Confident | 148 Ų | 148 | 75.7 Ų | 75.7 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -52.2 | -36.3 | 168.9 | -62.2 | -169.9 | 131.2 | 0 | 0 | 113 | S1545 V1549 L1550 T1551 | S1545-E1547 PolarHBondContact O-N 3Å; S1545-E1547 VanDerWaalsContact O-N 3.11Å; E1547-V1549 VanDerWaalsContact C-N 3.29Å; E1547-V1549 PolarHBondContact O-N 3.03Å; E1547-L1550 CarbonylContact O-C 3.59Å; E1547-L1550 PolarHBondContact O-N 3Å; E1547-T1551 WeakPolarHBondContact O-CG2 3.26Å; E1547-T1551 PolarHBondContact O-N 2.92Å; E1547-T1551 PolarHBondContact O-OG1 3.11Å |
| 1548 | N | 82.8 | Confident | 80.5 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.3 | -26.5 | 178.6 | -74.5 | -11.1 | 0 | 0 | 0 | 113.1 | R1534 S1545 Y1546 T1551 D1552 | R1534-N1548 PolarHBondContact NH1-O 2.81Å; S1545-N1548 WeakPolarHBondContact O-CB 3.31Å; S1545-N1548 PolarHBondContact O-N 3.27Å; S1545-N1548 PolarHBondContact OG-ND2 3.27Å; S1545-N1548 VanDerWaalsContact OG-ND2 3.15Å; Y1546-N1548 PolarHBondContact O-N 2.96Å; N1548-T1551 WeakPolarHBondContact CA-OG1 3.29Å; N1548-T1551 PolarHBondContact O-OG1 2.94Å; N1548-T1551 VanDerWaalsContact O-OG1 3.06Å; N1548-D1552 PolarHBondContact O-N 3.1Å |
| 1549 | V | 84 | Confident | 79.6 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72 | -47.3 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | C1531 R1534 E1535 Y1546 E1547 T1551 D1552 Y1553 | C1531-V1549 VanDerWaalsContact SG-CG1 3.54Å; R1534-V1549 HydrophobicContact CB-CG2 3.88Å; E1535-V1549 HydrophobicContact CB-CG1 4.28Å; Y1546-V1549 HydrophobicContact CD2-CB 4.28Å; Y1546-V1549 HydrophobicContact CD2-CG2 4.04Å; Y1546-V1549 HydrophobicContact CE2-CB 4.27Å; Y1546-V1549 HydrophobicContact CE2-CG1 4.29Å; Y1546-V1549 HydrophobicContact CE2-CG2 4.29Å; Y1546-V1549 WeakPolarHBondContact O-CB 3.33Å; Y1546-V1549 PolarHBondContact O-N 2.94Å; E1547-V1549 VanDerWaalsContact C-N 3.29Å; E1547-V1549 PolarHBondContact O-N 3.03Å; V1549-T1551 PolarHBondContact O-N 3.45Å; V1549-D1552 PolarHBondContact O-N 3.39Å; V1549-Y1553 WeakPolarHBondContact O-CB 3.49Å; V1549-Y1553 PolarHBondContact O-N 2.92Å |
| 1550 | L | 84.7 | Confident | 78.3 | Confident | 70 Ų | 70 | 71 Ų | 71 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.7 | -66.6 | 174.1 | 0 | 0 | 0 | 113.4 | Y1546 E1547 R1554 | Y1546-L1550 HydrophobicContact CD1-CD1 3.9Å; Y1546-L1550 HydrophobicContact CD1-CD2 4.49Å; Y1546-L1550 HydrophobicContact CD1-CG 3.91Å; Y1546-L1550 HydrophobicContact CE1-CD1 4.15Å; Y1546-L1550 HydrophobicContact CE1-CD2 3.96Å; Y1546-L1550 HydrophobicContact CE1-CG 3.88Å; Y1546-L1550 PolarHBondContact O-N 3.25Å; Y1546-L1550 VanDerWaalsContact O-N 3.11Å; E1547-L1550 CarbonylContact O-C 3.59Å; E1547-L1550 PolarHBondContact O-N 3Å; L1550-R1554 WeakPolarHBondContact O-CG 3.33Å; L1550-R1554 PolarHBondContact O-N 3.34Å; L1550-R1554 WeakPolarHBondContact O-CD 3.36Å; L1550-R1554 WeakPolarHBondContact O-CB 3.21Å |
| 1551 | T | 84.3 | Confident | 76.9 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 173.5 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | E1547 N1548 V1549 R1554 L1555 | E1547-T1551 WeakPolarHBondContact O-CG2 3.26Å; E1547-T1551 PolarHBondContact O-N 2.92Å; E1547-T1551 PolarHBondContact O-OG1 3.11Å; N1548-T1551 WeakPolarHBondContact CA-OG1 3.29Å; N1548-T1551 PolarHBondContact O-OG1 2.94Å; N1548-T1551 VanDerWaalsContact O-OG1 3.06Å; V1549-T1551 PolarHBondContact O-N 3.45Å; T1551-R1554 PolarHBondContact O-N 2.94Å; T1551-L1555 WeakPolarHBondContact O-CB 3.22Å; T1551-L1555 VanDerWaalsContact O-CG 3.22Å; T1551-L1555 WeakPolarHBondContact O-CG 3.33Å; T1551-L1555 PolarHBondContact O-N 3.24Å |
| 1552 | D | 84.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 178.5 | -74.6 | -6.4 | 0 | 0 | 0 | 111.9 | Y1527 R1530 C1531 R1534 N1548 V1549 L1555 S1556 | Y1527-D1552 HydrophobicContact CD1-CB 4.5Å; R1530-D1552 WeakPolarHBondContact CG-OD2 3.29Å; R1530-D1552 IonicContact CZ-OD1 3.7Å; R1530-D1552 IonicContact CZ-OD2 3.56Å; R1530-D1552 IonicContact NE-OD1 3.8Å; R1530-D1552 PolarHBondContact NE-OD1 2.89Å; R1530-D1552 IonicContact NE-OD2 3.08Å; R1530-D1552 PolarHBondContact NE-OD2 2.99Å; R1530-D1552 IonicContact NH2-OD1 2.79Å; R1530-D1552 PolarHBondContact NH2-OD1 3.47Å; R1530-D1552 IonicContact NH2-OD2 3.88Å; C1531-D1552 HydrophobicContact CB-CB 3.91Å; R1534-D1552 VanDerWaalsContact CD-OD2 3.24Å; R1534-D1552 WeakPolarHBondContact CD-OD2 3.43Å; R1534-D1552 IonicContact CZ-OD2 2.69Å; R1534-D1552 IonicContact NE-OD2 2.87Å; R1534-D1552 IonicContact NH1-OD1 3.13Å; R1534-D1552 PolarHBondContact NH1-OD1 3.4Å; R1534-D1552 VanDerWaalsContact NH1-OD1 3.13Å; R1534-D1552 IonicContact NH1-OD2 2.82Å; R1534-D1552 PolarHBondContact NH1-OD2 3.01Å; N1548-D1552 PolarHBondContact O-N 3.1Å; V1549-D1552 PolarHBondContact O-N 3.39Å; D1552-L1555 PolarHBondContact O-N 2.73Å; D1552-S1556 PolarHBondContact O-N 2.8Å; D1552-S1556 PolarHBondContact O-OG 3.36Å |
| 1553 | Y | 84.9 | Confident | 73.6 | Confident | 132 Ų | 132 | 76 Ų | 76 | 52% | 0.518 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 171.7 | -170.7 | -99.6 | 0 | 0 | 0 | 112.4 | V1549 S1556 L1557 | V1549-Y1553 WeakPolarHBondContact O-CB 3.49Å; V1549-Y1553 PolarHBondContact O-N 2.92Å; Y1553-S1556 PolarHBondContact O-OG 3.29Å; Y1553-S1556 VanDerWaalsContact O-OG 3.04Å; Y1553-L1557 HydrophobicContact CE1-CG 4.43Å; Y1553-L1557 VanDerWaalsContact O-N 3.17Å; Y1553-L1557 PolarHBondContact O-N 3.42Å; Y1553-L1557 WeakPolarHBondContact O-CG 3.23Å; Y1553-L1557 HydrophobicContact CE1-CD1 3.61Å; Y1553-L1557 HydrophobicContact CD1-CD1 3.93Å; Y1553-L1557 VanDerWaalsContact O-CG 3.31Å |
| 1554 | R | 83.7 | Confident | 71.8 | Confident | 164 Ų | 164 | 82.1 Ų | 82.1 | 62% | 0.619 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.3 | -38.1 | 172.2 | -74.3 | 168.3 | -178.5 | 176.9 | 2.1 | 112 | L1550 T1551 L1557 L1558 | L1550-R1554 WeakPolarHBondContact O-CG 3.33Å; L1550-R1554 PolarHBondContact O-N 3.34Å; L1550-R1554 WeakPolarHBondContact O-CD 3.36Å; L1550-R1554 WeakPolarHBondContact O-CB 3.21Å; T1551-R1554 PolarHBondContact O-N 2.94Å; R1554-L1557 PolarHBondContact O-N 3.17Å; R1554-L1558 WeakPolarHBondContact O-CB 3.16Å; R1554-L1558 VanDerWaalsContact O-CG 3.31Å; R1554-L1558 WeakPolarHBondContact O-CG 3.36Å; R1554-L1558 PolarHBondContact O-N 3.4Å |
| 1555 | L | 83.2 | Confident | 69.9 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 178.8 | -70.7 | 166.5 | 0 | 0 | 0 | 112.4 | Y1527 T1551 D1552 L1557 L1558 A1559 | Y1527-L1555 HydrophobicContact CD1-CB 3.71Å; Y1527-L1555 HydrophobicContact CD1-CD1 4.21Å; Y1527-L1555 HydrophobicContact CD2-CB 4.22Å; Y1527-L1555 HydrophobicContact CE1-CB 3.65Å; Y1527-L1555 HydrophobicContact CE1-CD1 3.59Å; Y1527-L1555 HydrophobicContact CE1-CG 4.19Å; Y1527-L1555 HydrophobicContact CE2-CB 4.15Å; Y1527-L1555 HydrophobicContact CG-CB 4Å; T1551-L1555 WeakPolarHBondContact O-CB 3.22Å; T1551-L1555 VanDerWaalsContact O-CG 3.22Å; T1551-L1555 WeakPolarHBondContact O-CG 3.33Å; T1551-L1555 PolarHBondContact O-N 3.24Å; D1552-L1555 PolarHBondContact O-N 2.73Å; L1555-L1557 VanDerWaalsContact C-N 3.3Å; L1555-L1557 PolarHBondContact O-N 2.77Å; L1555-L1558 PolarHBondContact O-N 3.01Å; L1555-A1559 VanDerWaalsContact O-CB 3.28Å; L1555-A1559 WeakPolarHBondContact O-CB 3.45Å; L1555-A1559 PolarHBondContact O-N 2.73Å |
| 1556 | S | 81.4 | Confident | 69.6 | Low | 5 Ų | 5 | 89 Ų | 89 | 4% | 0.035 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 171.9 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | D1552 Y1553 N1560 | D1552-S1556 PolarHBondContact O-N 2.8Å; D1552-S1556 PolarHBondContact O-OG 3.36Å; Y1553-S1556 PolarHBondContact O-OG 3.29Å; Y1553-S1556 VanDerWaalsContact O-OG 3.04Å; S1556-N1560 PolarHBondContact O-ND2 3.16Å |
| 1557 | L | 79.2 | Confident | 68.8 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.1 | -48.9 | 169.9 | -73.9 | 171.4 | 0 | 0 | 0 | 111.9 | Y1553 R1554 L1555 A1559 N1560 | Y1553-L1557 HydrophobicContact CE1-CG 4.43Å; Y1553-L1557 VanDerWaalsContact O-N 3.17Å; Y1553-L1557 PolarHBondContact O-N 3.42Å; Y1553-L1557 WeakPolarHBondContact O-CG 3.23Å; Y1553-L1557 HydrophobicContact CE1-CD1 3.61Å; Y1553-L1557 HydrophobicContact CD1-CD1 3.93Å; Y1553-L1557 VanDerWaalsContact O-CG 3.31Å; R1554-L1557 PolarHBondContact O-N 3.17Å; L1555-L1557 VanDerWaalsContact C-N 3.3Å; L1555-L1557 PolarHBondContact O-N 2.77Å; L1557-A1559 VanDerWaalsContact C-N 3.28Å; L1557-A1559 PolarHBondContact O-N 3.12Å; L1557-N1560 WeakPolarHBondContact CA-ND2 2.95Å; L1557-N1560 PolarHBondContact O-N 2.8Å; L1557-N1560 PolarHBondContact O-ND2 3.3Å |
| 1558 | L | 72 | Confident | 68.1 | Low | 111 Ų | 111 | 85.2 Ų | 85.2 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.6 | -29.7 | 178 | -72.1 | 166.2 | 0 | 0 | 0 | 113.3 | R1554 L1555 N1560 D1561 | R1554-L1558 WeakPolarHBondContact O-CB 3.16Å; R1554-L1558 VanDerWaalsContact O-CG 3.31Å; R1554-L1558 WeakPolarHBondContact O-CG 3.36Å; R1554-L1558 PolarHBondContact O-N 3.4Å; L1555-L1558 PolarHBondContact O-N 3.01Å; L1558-N1560 PolarHBondContact O-N 3.39Å; L1558-D1561 PolarHBondContact O-N 3.28Å |
| 1559 | A | 66.3 | Low | 67.2 | Low | 8 Ų | 8 | 86.4 Ų | 86.4 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -62.6 | -27.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1524 L1555 L1557 D1561 V1562 T1563 | K1524-A1559 HydrophobicContact CB-CB 3.86Å; L1555-A1559 VanDerWaalsContact O-CB 3.28Å; L1555-A1559 WeakPolarHBondContact O-CB 3.45Å; L1555-A1559 PolarHBondContact O-N 2.73Å; L1557-A1559 VanDerWaalsContact C-N 3.28Å; L1557-A1559 PolarHBondContact O-N 3.12Å; A1559-D1561 PolarHBondContact O-N 2.69Å; A1559-V1562 PolarHBondContact O-N 2.99Å; A1559-V1562 VanDerWaalsContact O-N 3.15Å; A1559-T1563 PolarHBondContact O-N 3.37Å; A1559-T1563 PolarHBondContact O-OG1 3.37Å |
| 1560 | N | 56.9 | Low | 66.2 | Low | 51 Ų | 51 | 91.4 Ų | 91.4 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -57 | -36.3 | -178.8 | -65.7 | -77.4 | 0 | 0 | 0 | 112.7 | K1524 S1556 L1557 L1558 V1562 | K1524-N1560 VanDerWaalsContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CE-OD1 3.31Å; K1524-N1560 PolarHBondContact NZ-OD1 2.83Å; S1556-N1560 PolarHBondContact O-ND2 3.16Å; L1557-N1560 WeakPolarHBondContact CA-ND2 2.95Å; L1557-N1560 PolarHBondContact O-N 2.8Å; L1557-N1560 PolarHBondContact O-ND2 3.3Å; L1558-N1560 PolarHBondContact O-N 3.39Å; N1560-V1562 PolarHBondContact O-N 3.39Å |
| 1561 | D | 52.2 | Low | 64.9 | Low | 141 Ų | 141 | 92.9 Ų | 92.9 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -74.5 | -11.9 | -174.9 | -64.6 | -21.2 | 0 | 0 | 0 | 113.1 | L1558 A1559 | L1558-D1561 PolarHBondContact O-N 3.28Å; A1559-D1561 PolarHBondContact O-N 2.69Å |
| 1562 | V | 47.4 | Very low | 63.6 | Low | 103 Ų | 103 | 95.4 Ų | 95.4 | 62% | 0.624 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -24.7 | -176.2 | -173 | 0 | 0 | 0 | 0 | 112.3 | A1559 N1560 I1564 | A1559-V1562 PolarHBondContact O-N 2.99Å; A1559-V1562 VanDerWaalsContact O-N 3.15Å; N1560-V1562 PolarHBondContact O-N 3.39Å; V1562-I1564 PolarHBondContact O-N 2.93Å |
| 1563 | T | 37.6 | Very low | 62 | Low | 62 Ų | 62 | 102.7 Ų | 102.7 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 39.4 | -172.2 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | S1522 A1559 | S1522-T1563 WeakPolarHBondContact O-CG2 3.32Å; A1559-T1563 PolarHBondContact O-N 3.37Å; A1559-T1563 PolarHBondContact O-OG1 3.37Å |
| 1564 | I | 34.1 | Very low | 60.1 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 77% | 0.774 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.4 | 175.4 | -59.6 | 177.6 | 0 | 0 | 0 | 111.1 | V1562 | V1562-I1564 PolarHBondContact O-N 2.93Š|
| 1565 | Q | 26.7 | Very low | 57.9 | Low | 253 Ų | 253 | 94.5 Ų | 94.5 | 100% | 1.182 | 50% | 0.498 | S | S | * | . | trans | -126 | 0 | 168.9 | -66.9 | -174 | -5.2 | 0 | 0 | 110.4 |
Retrieved 1,565 of 1,565 residues in 591.8 ms
(Link to these results)