| 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 | 42.6 | Very low | 45.1 | Very low | 227 Ų | 227 | 117.8 Ų | 117.8 | 100% | 1.118 | 63% | 0.632 | S | S | * | * | 0 | 16.9 | 0 | -75.6 | 152.8 | 86.8 | 0 | 0 | 114.4 | |||||
| 2 | T | 41 | Very low | 45 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | trans | -102.9 | -15.4 | -177.7 | 41.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | S | 39.4 | Very low | 45.3 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.5 | -39.2 | -177.4 | 176.5 | 0 | 0 | 0 | 0 | 113.8 | N5 R6 | S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 2.8Å; S3-R6 PolarHBondContact O-N 3.22Å |
| 4 | V | 45.9 | Very low | 45.3 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 68% | 0.679 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.7 | -32.4 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | R6 H7 C8 | V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.26Å; V4-H7 PolarHBondContact O-N 3.3Å; V4-C8 PolarHBondContact O-N 3.37Å |
| 5 | N | 42.3 | Very low | 45.9 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71 | -29.1 | -178.5 | -143.9 | -1.6 | 0 | 0 | 0 | 112.4 | S3 V9 | S3-N5 VanDerWaalsContact C-N 3.32Å; S3-N5 PolarHBondContact O-N 2.8Å; N5-V9 WeakPolarHBondContact O-CG2 3.4Å; N5-V9 PolarHBondContact O-N 3.15Å |
| 6 | R | 44.7 | Very low | 45.9 | Very low | 198 Ų | 198 | 119.4 Ų | 119.4 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -37.3 | 175.8 | -73.9 | -171.1 | -176.3 | -156 | 1.5 | 112.6 | S3 V4 T10 | S3-R6 PolarHBondContact O-N 3.22Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.26Å; R6-T10 WeakPolarHBondContact O-CB 3.49Å; R6-T10 PolarHBondContact O-N 2.69Å; R6-T10 PolarHBondContact O-OG1 3.04Å |
| 7 | H | 45 | Very low | 46 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 62% | 0.616 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.6 | -39.1 | 178.3 | -89.8 | 81.7 | 0 | 0 | 0 | 112.4 | V4 T10 L11 | V4-H7 PolarHBondContact O-N 3.3Å; H7-T10 PolarHBondContact O-N 3.43Å; H7-L11 PolarHBondContact O-N 3.34Å; H7-L11 VanDerWaalsContact O-N 3.09Å |
| 8 | C | 42.4 | Very low | 46 | Very low | 59 Ų | 59 | 121.8 Ų | 121.8 | 40% | 0.399 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66 | -44.1 | 179.7 | -161.4 | 0 | 0 | 0 | 0 | 112.6 | V4 T10 L11 F12 | V4-C8 PolarHBondContact O-N 3.37Å; C8-T10 VanDerWaalsContact C-N 3.3Å; C8-T10 PolarHBondContact O-N 3.41Å; C8-L11 PolarHBondContact O-N 3.4Å; C8-F12 PolarHBondContact O-N 2.99Å; C8-F12 VanDerWaalsContact O-N 3.1Å |
| 9 | V | 50.4 | Low | 45.9 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.7 | -32 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 112 | N5 R13 | N5-V9 WeakPolarHBondContact O-CG2 3.4Å; N5-V9 PolarHBondContact O-N 3.15Å; V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 2.97Å; V9-R13 VanDerWaalsContact O-N 3.17Å |
| 10 | T | 52.1 | Low | 45.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.2 | -38.3 | -179.9 | -43.6 | 0 | 0 | 0 | 0 | 111.8 | R6 H7 C8 S14 | R6-T10 WeakPolarHBondContact O-CB 3.49Å; R6-T10 PolarHBondContact O-N 2.69Å; R6-T10 PolarHBondContact O-OG1 3.04Å; H7-T10 PolarHBondContact O-N 3.43Å; C8-T10 VanDerWaalsContact C-N 3.3Å; C8-T10 PolarHBondContact O-N 3.41Å; T10-S14 WeakPolarHBondContact O-CB 3.43Å; T10-S14 PolarHBondContact O-N 3.04Å; T10-S14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 50.1 | Low | 45.5 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 37% | 0.372 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.8 | -46.9 | 173 | -93.7 | 151.7 | 0 | 0 | 0 | 111.7 | H7 C8 R13 S14 V15 | H7-L11 PolarHBondContact O-N 3.34Å; H7-L11 VanDerWaalsContact O-N 3.09Å; C8-L11 PolarHBondContact O-N 3.4Å; L11-R13 PolarHBondContact O-N 3.13Å; L11-S14 WeakPolarHBondContact O-CB 3.36Å; L11-S14 PolarHBondContact O-N 3.44Å; L11-S14 VanDerWaalsContact O-N 3.07Å; L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.92Å |
| 12 | F | 44.5 | Very low | 45.7 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 62% | 0.623 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.1 | -43 | 177.5 | -114.8 | -89.4 | 0 | 0 | 0 | 112.6 | C8 S14 F16 | C8-F12 PolarHBondContact O-N 2.99Å; C8-F12 VanDerWaalsContact O-N 3.1Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.22Å; F12-F16 WeakPolarHBondContact O-CB 3.31Å; F12-F16 PolarHBondContact O-N 3.28Å; F12-F16 VanDerWaalsContact O-N 3.11Å |
| 13 | R | 48 | Very low | 45.9 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.5 | -23.7 | 175.5 | -88.9 | -177.7 | 158.6 | -173.3 | -4.3 | 114.1 | V9 L11 R17 | V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 2.97Å; V9-R13 VanDerWaalsContact O-N 3.17Å; L11-R13 PolarHBondContact O-N 3.13Å; R13-R17 WeakPolarHBondContact O-CB 3.44Å; R13-R17 PolarHBondContact O-N 3.25Å; R13-R17 PolarHBondContact O-NE 3.15Å |
| 14 | S | 46.2 | Very low | 46 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.4 | -47.3 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | T10 L11 F12 F16 R17 H18 | T10-S14 WeakPolarHBondContact O-CB 3.43Å; T10-S14 PolarHBondContact O-N 3.04Å; T10-S14 VanDerWaalsContact O-N 3.08Å; L11-S14 WeakPolarHBondContact O-CB 3.36Å; L11-S14 PolarHBondContact O-N 3.44Å; L11-S14 VanDerWaalsContact O-N 3.07Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.22Å; S14-F16 PolarHBondContact O-N 3.48Å; S14-R17 PolarHBondContact O-N 3.1Å; S14-H18 PolarHBondContact O-N 3.06Å; S14-H18 VanDerWaalsContact O-N 3.07Å |
| 15 | V | 53.8 | Low | 45.8 | Very low | 89 Ų | 89 | 126 Ų | 126 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 111 | L11 R17 H18 C19 | L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.92Å; V15-R17 PolarHBondContact O-N 3.38Å; V15-H18 PolarHBondContact O-N 3.21Å; V15-C19 PolarHBondContact O-N 2.92Å; V15-C19 VanDerWaalsContact O-N 3.13Å |
| 16 | F | 45.4 | Very low | 45.6 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 61% | 0.614 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -39.9 | 179.6 | -149.4 | -91.9 | 0 | 0 | 0 | 112.8 | F12 S14 H18 C19 Q20 | F12-F16 WeakPolarHBondContact O-CB 3.31Å; F12-F16 PolarHBondContact O-N 3.28Å; F12-F16 VanDerWaalsContact O-N 3.11Å; S14-F16 PolarHBondContact O-N 3.48Å; F16-H18 VanDerWaalsContact C-N 3.34Å; F16-H18 PolarHBondContact O-N 3.42Å; F16-C19 PolarHBondContact O-N 3.01Å; F16-Q20 PolarHBondContact O-N 3.25Å; F16-Q20 VanDerWaalsContact O-N 3.12Å |
| 17 | R | 48.8 | Very low | 45.3 | Very low | 173 Ų | 173 | 120.7 Ų | 120.7 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.7 | -29.4 | 176.1 | -94.4 | -176.4 | -74.1 | -154 | 2.2 | 113.5 | R13 S14 V15 R21 | R13-R17 WeakPolarHBondContact O-CB 3.44Å; R13-R17 PolarHBondContact O-N 3.25Å; R13-R17 PolarHBondContact O-NE 3.15Å; S14-R17 PolarHBondContact O-N 3.1Å; V15-R17 PolarHBondContact O-N 3.38Å; R17-R21 PolarHBondContact O-N 3.41Å |
| 18 | H | 46 | Very low | 45.2 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 50% | 0.5 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.1 | -38.5 | 177.2 | -163.7 | 70.3 | 0 | 0 | 0 | 111.6 | S14 V15 F16 | S14-H18 PolarHBondContact O-N 3.06Å; S14-H18 VanDerWaalsContact O-N 3.07Å; V15-H18 PolarHBondContact O-N 3.21Å; F16-H18 VanDerWaalsContact C-N 3.34Å; F16-H18 PolarHBondContact O-N 3.42Å |
| 19 | C | 44.1 | Very low | 44.8 | Very low | 86 Ų | 86 | 134 Ų | 134 | 58% | 0.581 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.6 | -41.3 | 174.8 | -132.3 | 0 | 0 | 0 | 0 | 112.1 | V15 F16 R21 H22 | V15-C19 PolarHBondContact O-N 2.92Å; V15-C19 VanDerWaalsContact O-N 3.13Å; F16-C19 PolarHBondContact O-N 3.01Å; C19-R21 VanDerWaalsContact C-N 3.31Å; C19-R21 PolarHBondContact O-N 2.96Å; C19-H22 PolarHBondContact O-N 3.35Å |
| 20 | Q | 39 | Very low | 43.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 58% | 0.575 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -28.4 | -179.8 | -157.7 | 118 | 9.4 | 0 | 0 | 113.6 | F16 | F16-Q20 PolarHBondContact O-N 3.25Å; F16-Q20 VanDerWaalsContact O-N 3.12Å |
| 21 | R | 43 | Very low | 43.5 | Very low | 210 Ų | 210 | 136.1 Ų | 136.1 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73 | -26.5 | 176.7 | -106.7 | 179.2 | -178.5 | 155.7 | -0 | 113.4 | R17 C19 | R17-R21 PolarHBondContact O-N 3.41Å; C19-R21 VanDerWaalsContact C-N 3.31Å; C19-R21 PolarHBondContact O-N 2.96Å |
| 22 | H | 47.6 | Very low | 42.8 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -78.8 | -22.8 | 177.7 | -97.1 | -80.1 | 0 | 0 | 0 | 113.4 | C19 | C19-H22 PolarHBondContact O-N 3.35Å |
| 23 | L | 45 | Very low | 42.4 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -78.4 | -22.2 | 177 | -88.8 | 139.4 | 0 | 0 | 0 | 114 | ||
| 24 | N | 40.8 | Very low | 41.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -0.3 | -171.4 | -118 | 17.3 | 0 | 0 | 0 | 115.3 | ||
| 25 | N | 42.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 20.8 | -176.6 | -96.5 | 15.7 | 0 | 0 | 0 | 114.4 | T27 | N25-T27 PolarHBondContact O-N 2.99Å; N25-T27 VanDerWaalsContact O-N 3.12Å |
| 26 | G | 36.8 | Very low | 40.6 | Very low | 73 Ų | 73 | 150.6 Ų | 150.6 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -82.7 | 75.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 27 | T | 39.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 152 Ų | 152 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -80.8 | 114.1 | 156.6 | 32.3 | 0 | 0 | 0 | 0 | 109.4 | N25 | N25-T27 PolarHBondContact O-N 2.99Å; N25-T27 VanDerWaalsContact O-N 3.12Å | ||
| 28 | Y | 43.5 | Very low | 39.5 | Very low | 207 Ų | 207 | 151.7 Ų | 151.7 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | 14 | 122.5 | 157.3 | -60.6 | -87.6 | 0 | 0 | 0 | 117.7 | ||||
| 29 | W | 32.5 | Very low | 39.2 | Very low | 265 Ų | 265 | 152.4 Ų | 152.4 | 100% | 1.004 | 76% | 0.76 | S | S | * | * | -177.5 | 133.4 | 126.1 | -84.6 | 107.9 | 0 | 0 | 0 | 109.4 | |||||
| 30 | G | 32.8 | Very low | 39.1 | Very low | 64 Ų | 64 | 152.4 Ų | 152.4 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 91.3 | 110 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117 | Q32 | G30-Q32 PolarHBondContact O-N 2.83Š| ||
| 31 | T | 41.9 | Very low | 39 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -50.1 | 101.7 | 159.5 | 40.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 32 | Q | 36.8 | Very low | 39 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -118.4 | 124.9 | 165 | -101.2 | 173 | -14.5 | 0 | 0 | 109.5 | G30 W34 | G30-Q32 PolarHBondContact O-N 2.83Å; Q32-W34 PolarHBondContact O-N 2.61Å; Q32-W34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | S | 34.8 | Very low | 38.9 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -48.8 | 108 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | R35 | S33-R35 PolarHBondContact O-N 3.33Š| ||
| 34 | W | 35.5 | Very low | 39 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -73.5 | 88.6 | 165.5 | -76.5 | 80.6 | 0 | 0 | 0 | 109.2 | Q32 F37 | Q32-W34 PolarHBondContact O-N 2.61Å; Q32-W34 VanDerWaalsContact O-N 3.1Å; W34-F37 HydrophobicContact CE3-CD2 4.05Å; W34-F37 AromaticContact CE3-CE2 3.99Å; W34-F37 HydrophobicContact CE3-CE2 3.99Å; W34-F37 HydrophobicContact CH2-CE2 4.36Å; W34-F37 AromaticContact CZ3-CD2 3.85Å; W34-F37 HydrophobicContact CZ3-CD2 3.85Å; W34-F37 AromaticContact CZ3-CE2 3.43Å; W34-F37 HydrophobicContact CZ3-CE2 3.43Å; W34-F37 VanDerWaalsContact CZ3-CE2 3.43Å; W34-F37 HydrophobicContact CZ3-CZ 4.44Å | ||
| 35 | R | 38.4 | Very low | 39 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -146.8 | 121.9 | 163.7 | -72.2 | -171 | -159.3 | -114.3 | 3 | 105 | S33 | S33-R35 PolarHBondContact O-N 3.33Š| ||
| 36 | E | 36.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -141.8 | 118 | 10.2 | -82.7 | 145.5 | 163.8 | 0 | 0 | 106.3 | H38 | E36-H38 PolarHBondContact O-N 2.95Š| ||
| 37 | F | 34.9 | Very low | 39.5 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -75.6 | 106.8 | 152.3 | -88.8 | -90.6 | 0 | 0 | 0 | 104.9 | W34 V39 | W34-F37 HydrophobicContact CE3-CD2 4.05Å; W34-F37 AromaticContact CE3-CE2 3.99Å; W34-F37 HydrophobicContact CE3-CE2 3.99Å; W34-F37 HydrophobicContact CH2-CE2 4.36Å; W34-F37 AromaticContact CZ3-CD2 3.85Å; W34-F37 HydrophobicContact CZ3-CD2 3.85Å; W34-F37 AromaticContact CZ3-CE2 3.43Å; W34-F37 HydrophobicContact CZ3-CE2 3.43Å; W34-F37 VanDerWaalsContact CZ3-CE2 3.43Å; W34-F37 HydrophobicContact CZ3-CZ 4.44Å; F37-V39 PolarHBondContact O-N 3.05Å | ||
| 38 | H | 36 | Very low | 40 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -60.3 | 92.9 | 164.7 | -75.3 | -80.5 | 0 | 0 | 0 | 107.1 | E36 A40 | E36-H38 PolarHBondContact O-N 2.95Å; H38-A40 VanDerWaalsContact C-N 3.3Å; H38-A40 PolarHBondContact O-N 3.36Å | ||
| 39 | V | 40.5 | Very low | 40.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | trans | -62.6 | 102.1 | 163.6 | 176.1 | 0 | 0 | 0 | 0 | 104.3 | F37 T41 | F37-V39 PolarHBondContact O-N 3.05Å; V39-T41 PolarHBondContact O-N 2.82Å | ||
| 40 | A | 41.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | -52.4 | 116.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | H38 | H38-A40 VanDerWaalsContact C-N 3.3Å; H38-A40 PolarHBondContact O-N 3.36Å | ||
| 41 | T | 38.7 | Very low | 41.9 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -46 | 127.8 | 173.3 | -42.6 | 0 | 0 | 0 | 0 | 107.5 | V39 V43 | V39-T41 PolarHBondContact O-N 2.82Å; T41-V43 VanDerWaalsContact C-N 3.29Å; T41-V43 PolarHBondContact O-N 3.09Å | ||
| 42 | P | 43.1 | Very low | 42.3 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | -65.8 | 101.2 | 173.7 | 26.2 | -28.3 | 0 | 0 | 0 | 105.8 | A44 | P42-A44 PolarHBondContact O-N 3.43Š| ||
| 43 | V | 45 | Very low | 43.1 | Very low | 123 Ų | 123 | 138 Ų | 138 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | trans | -66 | 91.5 | 169.4 | 176.3 | 0 | 0 | 0 | 0 | 104.8 | T41 A45 | T41-V43 VanDerWaalsContact C-N 3.29Å; T41-V43 PolarHBondContact O-N 3.09Å; V43-A45 HydrophobicContact CG1-CB 3.64Å; V43-A45 PolarHBondContact O-N 3.34Å | ||
| 44 | A | 46.7 | Very low | 43.7 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -70.1 | 62.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | P42 Y46 | P42-A44 PolarHBondContact O-N 3.43Å; A44-Y46 VanDerWaalsContact C-N 3.31Å | ||
| 45 | A | 40.9 | Very low | 44.4 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | trans | -101.6 | 55.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V43 D47 | V43-A45 HydrophobicContact CG1-CB 3.64Å; V43-A45 PolarHBondContact O-N 3.34Å; A45-D47 PolarHBondContact O-N 3.22Å | ||
| 46 | Y | 44.9 | Very low | 45.1 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | trans | -72.4 | 86.9 | 151.7 | -70.4 | -75.9 | 0 | 0 | 0 | 105.1 | A44 L48 | A44-Y46 VanDerWaalsContact C-N 3.31Å; Y46-L48 PolarHBondContact O-N 3.44Å | ||
| 47 | D | 45.5 | Very low | 45.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | trans | -65.2 | 77.8 | 168.2 | -172.6 | 24.9 | 0 | 0 | 0 | 107.1 | A45 R49 | A45-D47 PolarHBondContact O-N 3.22Å; D47-R49 PolarHBondContact O-N 3.42Å; D47-R49 IonicContact OD2-NE 3.98Å | ||
| 48 | L | 50.5 | Low | 46.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -66.3 | 79 | 165.2 | -80.8 | 160.5 | 0 | 0 | 0 | 105.7 | Y46 K50 | Y46-L48 PolarHBondContact O-N 3.44Å; L48-K50 PolarHBondContact O-N 2.88Å | ||
| 49 | R | 51.1 | Low | 47.8 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 68% | 0.683 | 69% | 0.691 | S | S | * | * | trans | -55.2 | 109 | 167.9 | -73.5 | -168 | -150 | 166.5 | 10.9 | 106.4 | D47 V51 | D47-R49 PolarHBondContact O-N 3.42Å; D47-R49 IonicContact OD2-NE 3.98Å; R49-V51 WeakPolarHBondContact O-CG2 3.24Å; R49-V51 PolarHBondContact O-N 3.5Å | ||
| 50 | K | 47.2 | Very low | 48.6 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 69% | 0.693 | S | S | * | * | trans | -60.6 | 104.4 | 172.9 | -161.6 | -179.5 | -175 | -171.6 | 0 | 105.7 | L48 E52 | L48-K50 PolarHBondContact O-N 2.88Å; K50-E52 VanDerWaalsContact C-N 3.33Å; K50-E52 PolarHBondContact O-N 3.38Å | ||
| 51 | V | 50.3 | Low | 49.7 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 39% | 0.394 | 67% | 0.671 | S | S | . | * | trans | -70.8 | 98.2 | -178 | -159.1 | 0 | 0 | 0 | 0 | 106.2 | R49 L53 I112 | R49-V51 WeakPolarHBondContact O-CG2 3.24Å; R49-V51 PolarHBondContact O-N 3.5Å; V51-L53 HydrophobicContact CB-CD1 3.98Å; V51-L53 HydrophobicContact CB-CG 4.14Å; V51-L53 HydrophobicContact CG1-CD1 3.62Å; V51-L53 HydrophobicContact CG1-CD2 3.62Å; V51-L53 HydrophobicContact CG1-CG 3.52Å; V51-L53 PolarHBondContact O-N 2.87Å; V51-I112 HydrophobicContact CG1-CG2 4.21Å | ||
| 52 | E | 50.3 | Low | 51 | Low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 68% | 0.676 | S | S | * | * | trans | -78.2 | 105.1 | 173.5 | -151.1 | 174.1 | -152.7 | 0 | 0 | 106.6 | K50 | K50-E52 VanDerWaalsContact C-N 3.33Å; K50-E52 PolarHBondContact O-N 3.38Å | ||
| 53 | L | 53.1 | Low | 52.7 | Low | 65 Ų | 65 | 128.5 Ų | 128.5 | 34% | 0.34 | 65% | 0.654 | S | S | . | * | trans | -106.2 | 132.2 | -172.4 | -70.3 | 161.8 | 0 | 0 | 0 | 109.5 | V51 H109 I112 | V51-L53 HydrophobicContact CB-CD1 3.98Å; V51-L53 HydrophobicContact CB-CG 4.14Å; V51-L53 HydrophobicContact CG1-CD1 3.62Å; V51-L53 HydrophobicContact CG1-CD2 3.62Å; V51-L53 HydrophobicContact CG1-CG 3.52Å; V51-L53 PolarHBondContact O-N 2.87Å; L53-H109 HydrophobicContact CD1-CB 4.48Å; L53-H109 WeakPolarHBondContact CD1-CD2 3.43Å; L53-H109 WeakPolarHBondContact CD1-NE2 3.44Å; L53-I112 HydrophobicContact CD2-CD1 3.89Å | ||
| 54 | T | 48.3 | Very low | 54.6 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | trans | -51.4 | 149.8 | -177 | 37.1 | 0 | 0 | 0 | 0 | 112.7 | L56 | T54-L56 PolarHBondContact O-N 3.25Š| ||
| 55 | P | 49.1 | Very low | 56.6 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | trans | -61.8 | 124.1 | 177 | -16 | 29.2 | 0 | 0 | 0 | 110 | E57 | P55-E57 PolarHBondContact O-N 3.47Š| ||
| 56 | L | 54.1 | Low | 58.8 | Low | 77 Ų | 77 | 128.7 Ų | 128.7 | 40% | 0.403 | 63% | 0.628 | S | S | . | * | trans | -67.2 | 102.8 | 174.4 | -79.5 | 120.7 | 0 | 0 | 0 | 110 | T54 Q58 T106 | T54-L56 PolarHBondContact O-N 3.25Å; L56-Q58 PolarHBondContact O-N 2.97Å; L56-T106 HydrophobicContact CD1-CG2 3.97Å; L56-T106 HydrophobicContact CD2-CG2 3.99Å | ||
| 57 | E | 51.8 | Low | 60.9 | Low | 199 Ų | 199 | 122.1 Ų | 122.1 | 93% | 0.93 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -1.7 | 170.2 | -94.7 | -179.4 | 148.5 | 0 | 0 | 114.1 | P55 R59 | P55-E57 PolarHBondContact O-N 3.47Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.98Å |
| 58 | Q | 53.2 | Low | 62.9 | Low | 168 Ų | 168 | 119.9 Ų | 119.9 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 15.9 | -175 | -74.8 | 177.6 | -44.5 | 0 | 0 | 114.9 | L56 K60 | L56-Q58 PolarHBondContact O-N 2.97Å; Q58-K60 PolarHBondContact O-N 3.3Å |
| 59 | R | 58.5 | Low | 64.8 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 56% | 0.562 | 56% | 0.564 | S | S | * | * | trans | -75 | 52.7 | 174.4 | -62.1 | -174.5 | -171.9 | 175.7 | 6.8 | 112.4 | E57 L61 D98 | E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.98Å; R59-L61 PolarHBondContact O-N 3.44Å; R59-D98 WeakPolarHBondContact CD-OD1 3.41Å; R59-D98 IonicContact CZ-OD1 3.34Å; R59-D98 IonicContact NE-OD1 2.65Å; R59-D98 IonicContact NH1-OD1 2.69Å; R59-D98 PolarHBondContact NH1-OD1 2.91Å; R59-D98 IonicContact NH1-OD2 2.94Å | ||
| 60 | K | 56.3 | Low | 66.7 | Low | 182 Ų | 182 | 108.5 Ų | 108.5 | 79% | 0.791 | 55% | 0.552 | S | S | * | * | trans | -91.3 | 95.2 | 177.1 | -155.5 | 172.2 | -174 | 179.8 | 0 | 108.6 | Q58 T62 | Q58-K60 PolarHBondContact O-N 3.3Å; K60-T62 PolarHBondContact O-N 3.37Å | ||
| 61 | L | 64.3 | Low | 68.7 | Low | 47 Ų | 47 | 104.8 Ų | 104.8 | 25% | 0.246 | 54% | 0.538 | C | S | . | . | trans | -60.2 | 106.2 | 167.6 | -176.2 | 74.9 | 0 | 0 | 0 | 107.6 | R59 F63 V90 A93 M97 | R59-L61 PolarHBondContact O-N 3.44Å; L61-F63 HydrophobicContact CD1-CB 4.37Å; L61-F63 HydrophobicContact CD2-CB 3.68Å; L61-F63 HydrophobicContact CD2-CG 4.4Å; L61-F63 HydrophobicContact CG-CB 3.63Å; L61-F63 PolarHBondContact O-N 3.17Å; L61-V90 HydrophobicContact CD2-CG1 4.19Å; L61-A93 HydrophobicContact CD1-CB 4.16Å; L61-A93 HydrophobicContact CD2-CB 4.34Å; L61-M97 HydrophobicContact CD1-CE 3.63Å; L61-M97 HydrophobicContact CD1-CG 4.43Å; L61-M97 HydrophobicContact CD1-SD 3.59Å; L61-M97 VanDerWaalsContact CD1-SD 3.59Å | ||
| 62 | T | 67.8 | Low | 70.6 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 83% | 0.828 | 53% | 0.526 | S | S | * | . | trans | -80.1 | 66.2 | 173.1 | 56.6 | 0 | 0 | 0 | 0 | 108.7 | K60 | K60-T62 PolarHBondContact O-N 3.37Š| ||
| 63 | F | 78 | Confident | 72.6 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 27% | 0.272 | 50% | 0.498 | S | S | . | . | trans | -111.3 | 114.5 | 177.7 | -176.5 | -88.2 | 0 | 0 | 0 | 108.6 | L61 S65 M68 V86 L89 V90 | L61-F63 HydrophobicContact CD1-CB 4.37Å; L61-F63 HydrophobicContact CD2-CB 3.68Å; L61-F63 HydrophobicContact CD2-CG 4.4Å; L61-F63 HydrophobicContact CG-CB 3.63Å; L61-F63 PolarHBondContact O-N 3.17Å; F63-S65 WeakPolarHBondContact CD1-OG 3.27Å; F63-S65 PolarHBondContact O-N 3.29Å; F63-S65 VanDerWaalsContact O-N 3.15Å; F63-M68 HydrophobicContact CE1-SD 4.45Å; F63-M68 HydrophobicContact CE2-SD 3.84Å; F63-M68 HydrophobicContact CZ-SD 3.43Å; F63-M68 WeakPolarHBondContact CZ-SD 3.06Å; F63-V86 HydrophobicContact CE1-CG1 3.73Å; F63-V86 HydrophobicContact CZ-CG1 4.24Å; F63-L89 HydrophobicContact CZ-CB 4.46Å; F63-V90 HydrophobicContact CD1-CG2 3.32Å; F63-V90 HydrophobicContact CE1-CG2 3.28Å; F63-V90 HydrophobicContact CG-CG2 4.25Å; F63-V90 HydrophobicContact CZ-CG2 4.2Å | ||
| 64 | D | 85 | Confident | 74.4 | Confident | 106 Ų | 106 | 98.5 Ų | 98.5 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | trans | -83.3 | 87.4 | 177.2 | -171.6 | -14.6 | 0 | 0 | 0 | 109.7 | H66 A67 M68 | D64-H66 PolarHBondContact O-N 3.1Å; D64-H66 PolarHBondContact OD1-N 3.45Å; D64-A67 HydrophobicContact CB-CB 4.21Å; D64-A67 PolarHBondContact OD1-N 2.97Å; D64-A67 WeakPolarHBondContact OD2-CB 3.32Å; D64-M68 PolarHBondContact O-N 3.28Å | ||
| 65 | S | 87.4 | Confident | 76.3 | Confident | 51 Ų | 51 | 98.1 Ų | 98.1 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -28.2 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | F63 V69 | F63-S65 WeakPolarHBondContact CD1-OG 3.27Å; F63-S65 PolarHBondContact O-N 3.29Å; F63-S65 VanDerWaalsContact O-N 3.15Å; S65-V69 VanDerWaalsContact O-CG2 3.27Å; S65-V69 WeakPolarHBondContact O-CG2 3.18Å; S65-V69 PolarHBondContact O-N 3.39Å |
| 66 | H | 87.7 | Confident | 78.2 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -78.4 | -45.5 | -174.1 | -172 | 50.9 | 0 | 0 | 0 | 111.6 | D64 M68 V69 I70 | D64-H66 PolarHBondContact O-N 3.1Å; D64-H66 PolarHBondContact OD1-N 3.45Å; H66-M68 PolarHBondContact O-N 2.72Å; H66-V69 PolarHBondContact O-N 2.98Å; H66-I70 WeakPolarHBondContact O-CG1 2.98Å; H66-I70 PolarHBondContact O-N 2.95Å; H66-I70 VanDerWaalsContact O-N 3.13Å |
| 67 | A | 88.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 96.6 Ų | 96.6 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D64 I70 E71 | D64-A67 HydrophobicContact CB-CB 4.21Å; D64-A67 PolarHBondContact OD1-N 2.97Å; D64-A67 WeakPolarHBondContact OD2-CB 3.32Å; A67-I70 PolarHBondContact O-N 3.18Å; A67-E71 PolarHBondContact O-N 2.68Å |
| 68 | M | 87.8 | Confident | 81.7 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 28% | 0.281 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.1 | -33 | -178.7 | -164.8 | 160.5 | 174.5 | 0 | 0 | 113.4 | F63 D64 H66 L72 V86 L89 | F63-M68 HydrophobicContact CE1-SD 4.45Å; F63-M68 HydrophobicContact CE2-SD 3.84Å; F63-M68 HydrophobicContact CZ-SD 3.43Å; F63-M68 WeakPolarHBondContact CZ-SD 3.06Å; D64-M68 PolarHBondContact O-N 3.28Å; H66-M68 PolarHBondContact O-N 2.72Å; M68-L72 HydrophobicContact CG-CD1 4.49Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.48Å; M68-L72 PolarHBondContact O-N 2.94Å; M68-V86 HydrophobicContact CB-CG2 4.1Å; M68-V86 HydrophobicContact CG-CG2 3.88Å; M68-L89 HydrophobicContact CE-CD1 3.38Å; M68-L89 HydrophobicContact SD-CD1 4.39Å |
| 69 | V | 91.3 | Very high | 83.4 | Confident | 15 Ų | 15 | 90.5 Ų | 90.5 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 172.2 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | S65 H66 E71 L72 E73 A82 E83 V86 | S65-V69 VanDerWaalsContact O-CG2 3.27Å; S65-V69 WeakPolarHBondContact O-CG2 3.18Å; S65-V69 PolarHBondContact O-N 3.39Å; H66-V69 PolarHBondContact O-N 2.98Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 2.87Å; V69-E73 HydrophobicContact CG1-CG 4.4Å; V69-E73 WeakPolarHBondContact O-CG 3.37Å; V69-E73 PolarHBondContact O-N 3.13Å; V69-A82 HydrophobicContact CG1-CB 4.16Å; V69-E83 HydrophobicContact CG1-CG 4.15Å; V69-E83 HydrophobicContact CG2-CG 4.21Å; V69-V86 HydrophobicContact CG2-CB 3.96Å; V69-V86 HydrophobicContact CG2-CG1 4.17Å; V69-V86 HydrophobicContact CG2-CG2 3.79Å |
| 70 | I | 89.8 | Confident | 84.8 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.7 | -66.8 | 171.4 | 0 | 0 | 0 | 110.9 | H66 A67 E73 S74 | H66-I70 WeakPolarHBondContact O-CG1 2.98Å; H66-I70 PolarHBondContact O-N 2.95Å; H66-I70 VanDerWaalsContact O-N 3.13Å; A67-I70 PolarHBondContact O-N 3.18Å; I70-E73 PolarHBondContact O-N 2.91Å; I70-S74 PolarHBondContact O-N 3.42Å |
| 71 | E | 90.2 | Very high | 86.4 | Confident | 124 Ų | 124 | 88.2 Ų | 88.2 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 177.5 | -172 | 174.6 | -172 | 0 | 0 | 111.6 | A67 V69 S74 N75 | A67-E71 PolarHBondContact O-N 2.68Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.27Å; E71-S74 PolarHBondContact O-N 3.42Å; E71-S74 PolarHBondContact O-OG 3.45Å; E71-N75 PolarHBondContact O-N 2.8Å; E71-N75 PolarHBondContact O-ND2 3.21Å |
| 72 | L | 90 | Very high | 87.6 | Confident | 31 Ų | 31 | 86 Ų | 86 | 16% | 0.162 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177 | -73 | 168.6 | 0 | 0 | 0 | 112.4 | M68 V69 S74 N75 G76 F77 A82 I85 V86 | M68-L72 HydrophobicContact CG-CD1 4.49Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.48Å; M68-L72 PolarHBondContact O-N 2.94Å; V69-L72 PolarHBondContact O-N 2.87Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 3.27Å; L72-N75 PolarHBondContact O-N 3.38Å; L72-N75 VanDerWaalsContact O-N 3.15Å; L72-G76 PolarHBondContact O-N 3.24Å; L72-F77 HydrophobicContact CB-CB 4.46Å; L72-F77 HydrophobicContact CB-CD2 4.42Å; L72-F77 HydrophobicContact CD2-CD2 4.13Å; L72-F77 HydrophobicContact CD2-CE2 4.22Å; L72-F77 WeakPolarHBondContact O-CB 3.08Å; L72-F77 WeakPolarHBondContact O-CD2 3.39Å; L72-F77 PolarHBondContact O-N 3.46Å; L72-A82 HydrophobicContact CB-CB 3.63Å; L72-A82 HydrophobicContact CD1-CB 4.16Å; L72-I85 HydrophobicContact CD1-CG2 4.31Å; L72-V86 HydrophobicContact CD1-CG2 3.6Å |
| 73 | E | 91.7 | Very high | 88.7 | Confident | 68 Ų | 68 | 83.8 Ų | 83.8 | 32% | 0.318 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 173.4 | -73.5 | 178.9 | 164 | 0 | 0 | 111.5 | V69 I70 N75 G76 K79 A82 | V69-E73 HydrophobicContact CG1-CG 4.4Å; V69-E73 WeakPolarHBondContact O-CG 3.37Å; V69-E73 PolarHBondContact O-N 3.13Å; I70-E73 PolarHBondContact O-N 2.91Å; E73-N75 PolarHBondContact O-N 3.06Å; E73-G76 PolarHBondContact O-N 3.17Å; E73-G76 VanDerWaalsContact O-N 3.1Å; E73-K79 HydrophobicContact CG-CB 4.48Å; E73-K79 WeakPolarHBondContact OE1-CA 3.49Å; E73-K79 WeakPolarHBondContact OE1-CB 3.27Å; E73-K79 WeakPolarHBondContact OE1-CD 3.49Å; E73-K79 WeakPolarHBondContact OE1-CG 3.41Å; E73-A82 HydrophobicContact CG-CB 4.37Å |
| 74 | S | 90.4 | Very high | 89.4 | Confident | 93 Ų | 93 | 86.6 Ų | 86.6 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.4 | -22.9 | 178 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | I70 E71 L72 G76 | I70-S74 PolarHBondContact O-N 3.42Å; E71-S74 PolarHBondContact O-N 3.42Å; E71-S74 PolarHBondContact O-OG 3.45Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 3.27Å; S74-G76 VanDerWaalsContact C-N 3.34Å |
| 75 | N | 89.4 | Confident | 89.7 | Confident | 111 Ų | 111 | 84.8 Ų | 84.8 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 10.4 | 176.8 | -75.1 | -70.1 | 0 | 0 | 0 | 113.3 | E71 L72 E73 | E71-N75 PolarHBondContact O-N 2.8Å; E71-N75 PolarHBondContact O-ND2 3.21Å; L72-N75 PolarHBondContact O-N 3.38Å; L72-N75 VanDerWaalsContact O-N 3.15Å; E73-N75 PolarHBondContact O-N 3.06Å |
| 76 | G | 87.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 82.5 Ų | 82.5 | 72% | 0.722 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 12.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L72 E73 S74 | L72-G76 PolarHBondContact O-N 3.24Å; E73-G76 PolarHBondContact O-N 3.17Å; E73-G76 VanDerWaalsContact O-N 3.1Å; S74-G76 VanDerWaalsContact C-N 3.34Å |
| 77 | F | 89.6 | Confident | 90 | Very high | 93 Ų | 93 | 78.6 Ų | 78.6 | 41% | 0.408 | 42% | 0.415 | S | S | . | . | trans | -82.5 | 143.1 | 171.2 | -70.7 | -91.8 | 0 | 0 | 0 | 111.4 | L72 A82 I85 | L72-F77 HydrophobicContact CB-CB 4.46Å; L72-F77 HydrophobicContact CB-CD2 4.42Å; L72-F77 HydrophobicContact CD2-CD2 4.13Å; L72-F77 HydrophobicContact CD2-CE2 4.22Å; L72-F77 WeakPolarHBondContact O-CB 3.08Å; L72-F77 WeakPolarHBondContact O-CD2 3.39Å; L72-F77 PolarHBondContact O-N 3.46Å; F77-A82 HydrophobicContact CB-CB 4.43Å; F77-I85 HydrophobicContact CD1-CD1 4.24Å; F77-I85 HydrophobicContact CE1-CD1 4.2Å | ||
| 78 | E | 90.1 | Very high | 90.1 | Very high | 119 Ų | 119 | 78.7 Ų | 78.7 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | trans | -66.2 | 140.7 | 169.8 | -171.4 | -175.9 | 169.6 | 0 | 0 | 109.6 | R80 Q81 A82 | E78-R80 PolarHBondContact O-N 3.43Å; E78-R80 VanDerWaalsContact O-N 3.09Å; E78-Q81 HydrophobicContact CB-CB 4.47Å; E78-Q81 HydrophobicContact CB-CG 4.12Å; E78-Q81 WeakPolarHBondContact O-CA 3.31Å; E78-Q81 WeakPolarHBondContact O-CB 3.41Å; E78-Q81 PolarHBondContact O-N 3.09Å; E78-A82 PolarHBondContact O-N 3.26Å | ||
| 79 | K | 89.2 | Confident | 90.2 | Very high | 121 Ų | 121 | 79.3 Ų | 79.3 | 53% | 0.526 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -43.1 | -47.8 | 178.7 | 178.6 | 158.5 | -168.4 | 171.5 | 0 | 113.8 | E73 Q81 A82 E83 | E73-K79 HydrophobicContact CG-CB 4.48Å; E73-K79 WeakPolarHBondContact OE1-CA 3.49Å; E73-K79 WeakPolarHBondContact OE1-CB 3.27Å; E73-K79 WeakPolarHBondContact OE1-CD 3.49Å; E73-K79 WeakPolarHBondContact OE1-CG 3.41Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.08Å; K79-A82 PolarHBondContact O-N 3.34Å; K79-E83 WeakPolarHBondContact CE-OE1 3.22Å; K79-E83 HydrophobicContact CG-CG 4.48Å; K79-E83 WeakPolarHBondContact O-CB 3.37Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.39Å |
| 80 | R | 89.1 | Confident | 90 | Very high | 183 Ų | 183 | 80.4 Ų | 80.4 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 178.3 | -80.3 | -174 | 169.9 | -164.9 | -1.1 | 112.9 | E78 I84 | E78-R80 PolarHBondContact O-N 3.43Å; E78-R80 VanDerWaalsContact O-N 3.09Å; R80-I84 WeakPolarHBondContact O-CD1 3.18Å; R80-I84 WeakPolarHBondContact O-CG1 3.45Å; R80-I84 PolarHBondContact O-N 3.02Å; R80-I84 VanDerWaalsContact O-N 3.17Å |
| 81 | Q | 89.1 | Confident | 90 | Very high | 99 Ų | 99 | 81 Ų | 81 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 178.3 | -63.4 | 175.5 | -35.9 | 0 | 0 | 110.7 | E78 K79 I84 I85 | E78-Q81 HydrophobicContact CB-CB 4.47Å; E78-Q81 HydrophobicContact CB-CG 4.12Å; E78-Q81 WeakPolarHBondContact O-CA 3.31Å; E78-Q81 WeakPolarHBondContact O-CB 3.41Å; E78-Q81 PolarHBondContact O-N 3.09Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.08Å; Q81-I84 PolarHBondContact O-N 3.37Å; Q81-I85 WeakPolarHBondContact O-CD1 3.47Å; Q81-I85 VanDerWaalsContact O-CG1 3.27Å; Q81-I85 WeakPolarHBondContact O-CG1 3.31Å; Q81-I85 PolarHBondContact O-N 3.1Å |
| 82 | A | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V69 L72 E73 F77 E78 K79 I84 I85 V86 | V69-A82 HydrophobicContact CG1-CB 4.16Å; L72-A82 HydrophobicContact CB-CB 3.63Å; L72-A82 HydrophobicContact CD1-CB 4.16Å; E73-A82 HydrophobicContact CG-CB 4.37Å; F77-A82 HydrophobicContact CB-CB 4.43Å; E78-A82 PolarHBondContact O-N 3.26Å; K79-A82 PolarHBondContact O-N 3.34Å; A82-I84 PolarHBondContact O-N 3.26Å; A82-I85 PolarHBondContact O-N 3Å; A82-V86 WeakPolarHBondContact O-CB 3.35Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.03Å; A82-V86 PolarHBondContact O-N 3.31Å |
| 83 | E | 89.9 | Confident | 89.8 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 176.8 | -74.5 | 173 | 178.6 | 0 | 0 | 112.5 | V69 K79 A87 | V69-E83 HydrophobicContact CG1-CG 4.15Å; V69-E83 HydrophobicContact CG2-CG 4.21Å; K79-E83 WeakPolarHBondContact CE-OE1 3.22Å; K79-E83 HydrophobicContact CG-CG 4.48Å; K79-E83 WeakPolarHBondContact O-CB 3.37Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 3.39Å; E83-A87 VanDerWaalsContact O-CB 3.25Å; E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å |
| 84 | I | 93.2 | Very high | 89.5 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 179.1 | -69.5 | 166 | 0 | 0 | 0 | 111.3 | R80 Q81 A82 A87 A88 | R80-I84 WeakPolarHBondContact O-CD1 3.18Å; R80-I84 WeakPolarHBondContact O-CG1 3.45Å; R80-I84 PolarHBondContact O-N 3.02Å; R80-I84 VanDerWaalsContact O-N 3.17Å; Q81-I84 PolarHBondContact O-N 3.37Å; A82-I84 PolarHBondContact O-N 3.26Å; I84-A87 PolarHBondContact O-N 3.45Å; I84-A88 WeakPolarHBondContact O-CB 3.3Å; I84-A88 PolarHBondContact O-N 3.4Å |
| 85 | I | 90.2 | Very high | 89.3 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 35% | 0.349 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 178.1 | -68.9 | 166 | 0 | 0 | 0 | 110 | L72 F77 Q81 A82 A87 A88 L89 | L72-I85 HydrophobicContact CD1-CG2 4.31Å; F77-I85 HydrophobicContact CD1-CD1 4.24Å; F77-I85 HydrophobicContact CE1-CD1 4.2Å; Q81-I85 WeakPolarHBondContact O-CD1 3.47Å; Q81-I85 VanDerWaalsContact O-CG1 3.27Å; Q81-I85 WeakPolarHBondContact O-CG1 3.31Å; Q81-I85 PolarHBondContact O-N 3.1Å; A82-I85 PolarHBondContact O-N 3Å; I85-A87 PolarHBondContact O-N 2.81Å; I85-A88 PolarHBondContact O-N 3.34Å; I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 2.92Å |
| 86 | V | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.6 | 175 | 0 | 0 | 0 | 0 | 111 | F63 M68 V69 L72 A82 A88 L89 V90 | F63-V86 HydrophobicContact CE1-CG1 3.73Å; F63-V86 HydrophobicContact CZ-CG1 4.24Å; M68-V86 HydrophobicContact CB-CG2 4.1Å; M68-V86 HydrophobicContact CG-CG2 3.88Å; V69-V86 HydrophobicContact CG2-CB 3.96Å; V69-V86 HydrophobicContact CG2-CG1 4.17Å; V69-V86 HydrophobicContact CG2-CG2 3.79Å; L72-V86 HydrophobicContact CD1-CG2 3.6Å; A82-V86 WeakPolarHBondContact O-CB 3.35Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.03Å; A82-V86 PolarHBondContact O-N 3.31Å; V86-A88 PolarHBondContact O-N 3.48Å; V86-L89 PolarHBondContact O-N 2.86Å; V86-V90 HydrophobicContact CG1-CG2 4.47Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.5Å; V86-V90 PolarHBondContact O-N 3.43Å |
| 87 | A | 89.7 | Confident | 88.8 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E83 I84 I85 T91 | E83-A87 VanDerWaalsContact O-CB 3.25Å; E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å; I84-A87 PolarHBondContact O-N 3.45Å; I85-A87 PolarHBondContact O-N 2.81Å; A87-T91 WeakPolarHBondContact O-CB 3.48Å; A87-T91 PolarHBondContact O-N 3.33Å; A87-T91 PolarHBondContact O-OG1 2.96Å |
| 88 | A | 91.5 | Very high | 88.3 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I84 I85 V86 T91 L92 | I84-A88 WeakPolarHBondContact O-CB 3.3Å; I84-A88 PolarHBondContact O-N 3.4Å; I85-A88 PolarHBondContact O-N 3.34Å; V86-A88 PolarHBondContact O-N 3.48Å; A88-T91 PolarHBondContact O-N 3.39Å; A88-L92 WeakPolarHBondContact O-CB 3.34Å; A88-L92 WeakPolarHBondContact O-CG 3.49Å; A88-L92 PolarHBondContact O-N 3.27Å |
| 89 | L | 89.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.5 | -74.2 | 171.7 | 0 | 0 | 0 | 112.6 | F63 M68 I85 V86 T91 L92 A93 | F63-L89 HydrophobicContact CZ-CB 4.46Å; M68-L89 HydrophobicContact CE-CD1 3.38Å; M68-L89 HydrophobicContact SD-CD1 4.39Å; I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 2.92Å; V86-L89 PolarHBondContact O-N 2.86Å; L89-T91 VanDerWaalsContact C-N 3.29Å; L89-T91 PolarHBondContact O-N 2.93Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.85Å |
| 90 | V | 89.1 | Confident | 87.4 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L61 F63 V86 A93 T94 | L61-V90 HydrophobicContact CD2-CG1 4.19Å; F63-V90 HydrophobicContact CD1-CG2 3.32Å; F63-V90 HydrophobicContact CE1-CG2 3.28Å; F63-V90 HydrophobicContact CG-CG2 4.25Å; F63-V90 HydrophobicContact CZ-CG2 4.2Å; V86-V90 HydrophobicContact CG1-CG2 4.47Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.5Å; V86-V90 PolarHBondContact O-N 3.43Å; V90-A93 PolarHBondContact O-N 3.41Å; V90-T94 VanDerWaalsContact O-CB 3.29Å; V90-T94 WeakPolarHBondContact O-CB 3.26Å; V90-T94 PolarHBondContact O-N 3.02Å; V90-T94 PolarHBondContact O-OG1 2.99Å |
| 91 | T | 88.6 | Confident | 86.7 | Confident | 96 Ų | 96 | 70 Ų | 70 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | A87 A88 L89 T94 A95 | A87-T91 WeakPolarHBondContact O-CB 3.48Å; A87-T91 PolarHBondContact O-N 3.33Å; A87-T91 PolarHBondContact O-OG1 2.96Å; A88-T91 PolarHBondContact O-N 3.39Å; L89-T91 VanDerWaalsContact C-N 3.29Å; L89-T91 PolarHBondContact O-N 2.93Å; T91-T94 PolarHBondContact O-N 3.3Å; T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.48Å |
| 92 | L | 89.4 | Confident | 86 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 63% | 0.634 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 176.8 | -75.3 | 172 | 0 | 0 | 0 | 112.5 | A88 L89 T94 A95 N96 | A88-L92 WeakPolarHBondContact O-CB 3.34Å; A88-L92 WeakPolarHBondContact O-CG 3.49Å; A88-L92 PolarHBondContact O-N 3.27Å; L89-L92 PolarHBondContact O-N 3.21Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-A95 PolarHBondContact O-N 3.49Å; L92-N96 VanDerWaalsContact O-CB 3.29Å; L92-N96 WeakPolarHBondContact O-CB 3.37Å; L92-N96 PolarHBondContact O-N 2.88Å |
| 93 | A | 86.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 79.6 Ų | 79.6 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L61 L89 V90 M97 | L61-A93 HydrophobicContact CD1-CB 4.16Å; L61-A93 HydrophobicContact CD2-CB 4.34Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.85Å; V90-A93 PolarHBondContact O-N 3.41Å; A93-M97 WeakPolarHBondContact O-CB 3.44Å; A93-M97 WeakPolarHBondContact O-CG 3.29Å; A93-M97 PolarHBondContact O-N 3.41Å |
| 94 | T | 85.8 | Confident | 84.3 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | V90 T91 L92 N96 M97 D98 | V90-T94 VanDerWaalsContact O-CB 3.29Å; V90-T94 WeakPolarHBondContact O-CB 3.26Å; V90-T94 PolarHBondContact O-N 3.02Å; V90-T94 PolarHBondContact O-OG1 2.99Å; T91-T94 PolarHBondContact O-N 3.3Å; L92-T94 VanDerWaalsContact C-N 3.34Å; T94-N96 PolarHBondContact O-N 2.76Å; T94-M97 PolarHBondContact O-N 3.13Å; T94-D98 PolarHBondContact O-N 3.47Å |
| 95 | A | 85.6 | Confident | 83.1 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 40% | 0.397 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T91 L92 D98 I99 | T91-A95 WeakPolarHBondContact O-CB 3.39Å; T91-A95 PolarHBondContact O-N 3.48Å; L92-A95 PolarHBondContact O-N 3.49Å; A95-D98 PolarHBondContact O-N 2.96Å; A95-I99 WeakPolarHBondContact O-CG1 3.45Å; A95-I99 PolarHBondContact O-N 3.42Å |
| 96 | N | 84.8 | Confident | 82.3 | Confident | 100 Ų | 100 | 78.2 Ų | 78.2 | 54% | 0.535 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.3 | -170.2 | 38.1 | 0 | 0 | 0 | 111.9 | L92 T94 D98 I99 V100 | L92-N96 VanDerWaalsContact O-CB 3.29Å; L92-N96 WeakPolarHBondContact O-CB 3.37Å; L92-N96 PolarHBondContact O-N 2.88Å; T94-N96 PolarHBondContact O-N 2.76Å; N96-D98 PolarHBondContact O-N 3.02Å; N96-I99 PolarHBondContact O-N 3.1Å; N96-V100 WeakPolarHBondContact O-CG2 3.5Å; N96-V100 PolarHBondContact O-N 3.34Å |
| 97 | M | 82.5 | Confident | 81.6 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 33% | 0.33 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 172.9 | -83.5 | -159.6 | 175.7 | 0 | 0 | 111.2 | L61 A93 T94 I99 V100 Y101 | L61-M97 HydrophobicContact CD1-CE 3.63Å; L61-M97 HydrophobicContact CD1-CG 4.43Å; L61-M97 HydrophobicContact CD1-SD 3.59Å; L61-M97 VanDerWaalsContact CD1-SD 3.59Å; A93-M97 WeakPolarHBondContact O-CB 3.44Å; A93-M97 WeakPolarHBondContact O-CG 3.29Å; A93-M97 PolarHBondContact O-N 3.41Å; T94-M97 PolarHBondContact O-N 3.13Å; M97-I99 VanDerWaalsContact C-N 3.28Å; M97-I99 PolarHBondContact O-N 3.23Å; M97-V100 PolarHBondContact O-N 3.48Å; M97-Y101 HydrophobicContact CB-CD2 3.91Å; M97-Y101 HydrophobicContact CB-CE2 3.88Å; M97-Y101 HydrophobicContact CG-CD2 4.4Å; M97-Y101 HydrophobicContact CG-CE2 3.87Å; M97-Y101 WeakPolarHBondContact O-CB 3.49Å; M97-Y101 WeakPolarHBondContact O-CD2 3.36Å; M97-Y101 PolarHBondContact O-N 3.31Å; M97-Y101 HydrophobicContact SD-CE2 3.83Å |
| 98 | D | 79.4 | Confident | 80.9 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 178.9 | -82.1 | -23.8 | 0 | 0 | 0 | 113.1 | R59 T94 A95 N96 K102 | R59-D98 WeakPolarHBondContact CD-OD1 3.41Å; R59-D98 IonicContact CZ-OD1 3.34Å; R59-D98 IonicContact NE-OD1 2.65Å; R59-D98 IonicContact NH1-OD1 2.69Å; R59-D98 PolarHBondContact NH1-OD1 2.91Å; R59-D98 IonicContact NH1-OD2 2.94Å; T94-D98 PolarHBondContact O-N 3.47Å; A95-D98 PolarHBondContact O-N 2.96Å; N96-D98 PolarHBondContact O-N 3.02Å; D98-K102 VanDerWaalsContact O-CB 3.29Å; D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 PolarHBondContact O-N 3.17Å |
| 99 | I | 82 | Confident | 80 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 55% | 0.549 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.8 | -50 | 175.9 | -65 | 167.8 | 0 | 0 | 0 | 110.7 | A95 N96 M97 Y101 K102 D103 | A95-I99 WeakPolarHBondContact O-CG1 3.45Å; A95-I99 PolarHBondContact O-N 3.42Å; N96-I99 PolarHBondContact O-N 3.1Å; M97-I99 VanDerWaalsContact C-N 3.28Å; M97-I99 PolarHBondContact O-N 3.23Å; I99-Y101 PolarHBondContact O-N 2.97Å; I99-K102 WeakPolarHBondContact O-CB 3.4Å; I99-K102 PolarHBondContact O-N 3.36Å; I99-D103 PolarHBondContact O-N 3.01Å |
| 100 | V | 78.5 | Confident | 79.3 | Confident | 67 Ų | 67 | 84 Ų | 84 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | -178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | N96 M97 K102 D103 M104 | N96-V100 WeakPolarHBondContact O-CG2 3.5Å; N96-V100 PolarHBondContact O-N 3.34Å; M97-V100 PolarHBondContact O-N 3.48Å; V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 3.25Å; V100-D103 PolarHBondContact O-N 2.93Å; V100-M104 HydrophobicContact CG1-CE 4.29Å; V100-M104 HydrophobicContact CG1-CG 4.09Å; V100-M104 HydrophobicContact CG1-SD 3.97Å; V100-M104 VanDerWaalsContact O-CG 3.26Å; V100-M104 WeakPolarHBondContact O-CG 3.29Å; V100-M104 PolarHBondContact O-N 3.45Å |
| 101 | Y | 74.3 | Confident | 78.9 | Confident | 118 Ų | 118 | 87.9 Ų | 87.9 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -22.1 | 179.9 | -74.3 | -67.8 | 0 | 0 | 0 | 113.8 | M97 I99 M104 | M97-Y101 HydrophobicContact CB-CD2 3.91Å; M97-Y101 HydrophobicContact CB-CE2 3.88Å; M97-Y101 HydrophobicContact CG-CD2 4.4Å; M97-Y101 HydrophobicContact CG-CE2 3.87Å; M97-Y101 WeakPolarHBondContact O-CB 3.49Å; M97-Y101 WeakPolarHBondContact O-CD2 3.36Å; M97-Y101 PolarHBondContact O-N 3.31Å; M97-Y101 HydrophobicContact SD-CE2 3.83Å; I99-Y101 PolarHBondContact O-N 2.97Å; Y101-M104 HydrophobicContact CD1-CE 3.15Å; Y101-M104 HydrophobicContact CE1-CE 3.21Å; Y101-M104 HydrophobicContact CG-CE 4.09Å |
| 102 | K | 73.9 | Confident | 78.7 | Confident | 171 Ų | 171 | 86 Ų | 86 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 173.7 | 179.2 | -177.9 | 168.7 | -176 | 0 | 112.1 | D98 I99 V100 | D98-K102 VanDerWaalsContact O-CB 3.29Å; D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 PolarHBondContact O-N 3.17Å; I99-K102 WeakPolarHBondContact O-CB 3.4Å; I99-K102 PolarHBondContact O-N 3.36Å; V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 3.25Å |
| 103 | D | 71 | Confident | 78.3 | Confident | 130 Ų | 130 | 82.3 Ų | 82.3 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -94.8 | -13.4 | -177.9 | -65.9 | -14.8 | 0 | 0 | 0 | 112.7 | I99 V100 | I99-D103 PolarHBondContact O-N 3.01Å; V100-D103 PolarHBondContact O-N 2.93Å |
| 104 | M | 73.2 | Confident | 78.2 | Confident | 96 Ų | 96 | 85 Ų | 85 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 145.7 | 174.1 | -75.1 | -160.4 | -42.2 | 0 | 0 | 112.9 | V100 Y101 | V100-M104 HydrophobicContact CG1-CE 4.29Å; V100-M104 HydrophobicContact CG1-CG 4.09Å; V100-M104 HydrophobicContact CG1-SD 3.97Å; V100-M104 VanDerWaalsContact O-CG 3.26Å; V100-M104 WeakPolarHBondContact O-CG 3.29Å; V100-M104 PolarHBondContact O-N 3.45Å; Y101-M104 HydrophobicContact CD1-CE 3.15Å; Y101-M104 HydrophobicContact CE1-CE 3.21Å; Y101-M104 HydrophobicContact CG-CE 4.09Å |
| 105 | V | 69.1 | Low | 78.3 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 66% | 0.655 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -99.9 | 127.5 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | H109 | V105-H109 HydrophobicContact CG1-CB 3.63Š|
| 106 | T | 73.4 | Confident | 78.4 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 27% | 0.27 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 156.7 | 176.6 | 79.2 | 0 | 0 | 0 | 0 | 111.3 | L56 A108 H109 Q110 | L56-T106 HydrophobicContact CD1-CG2 3.97Å; L56-T106 HydrophobicContact CD2-CG2 3.99Å; T106-A108 PolarHBondContact O-N 3.05Å; T106-H109 WeakPolarHBondContact O-CA 3.4Å; T106-H109 WeakPolarHBondContact O-CB 3.44Å; T106-H109 PolarHBondContact O-N 3.37Å; T106-H109 PolarHBondContact OG1-N 3.12Å; T106-H109 PolarHBondContact OG1-ND1 3.02Å; T106-Q110 PolarHBondContact O-N 2.75Å; T106-Q110 VanDerWaalsContact O-N 3.1Å |
| 107 | G | 75.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.8 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q110 E111 | G107-Q110 PolarHBondContact O-N 2.93Å; G107-E111 PolarHBondContact O-N 3.43Å |
| 108 | A | 76.6 | Confident | 78.8 | Confident | 59 Ų | 59 | 90.8 Ų | 90.8 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T106 Q110 E111 I112 | T106-A108 PolarHBondContact O-N 3.05Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-E111 PolarHBondContact O-N 2.98Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.29Å; A108-I112 VanDerWaalsContact O-N 3.13Å |
| 109 | H | 71.8 | Confident | 79.4 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.4 | -75 | 63 | 0 | 0 | 0 | 111 | L53 V105 T106 A113 | L53-H109 HydrophobicContact CD1-CB 4.48Å; L53-H109 WeakPolarHBondContact CD1-CD2 3.43Å; L53-H109 WeakPolarHBondContact CD1-NE2 3.44Å; V105-H109 HydrophobicContact CG1-CB 3.63Å; T106-H109 WeakPolarHBondContact O-CA 3.4Å; T106-H109 WeakPolarHBondContact O-CB 3.44Å; T106-H109 PolarHBondContact O-N 3.37Å; T106-H109 PolarHBondContact OG1-N 3.12Å; T106-H109 PolarHBondContact OG1-ND1 3.02Å; H109-A113 PolarHBondContact O-N 3.4Å; H109-A113 VanDerWaalsContact O-N 3.12Å |
| 110 | Q | 74.9 | Confident | 79.8 | Confident | 124 Ų | 124 | 89.9 Ų | 89.9 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 178.5 | -173.3 | 176.6 | -7.6 | 0 | 0 | 111.9 | T106 G107 A108 A113 L114 | T106-Q110 PolarHBondContact O-N 2.75Å; T106-Q110 VanDerWaalsContact O-N 3.1Å; G107-Q110 PolarHBondContact O-N 2.93Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; Q110-A113 PolarHBondContact O-N 2.91Å; Q110-L114 HydrophobicContact CG-CD1 4.27Å; Q110-L114 WeakPolarHBondContact O-CB 3.07Å; Q110-L114 VanDerWaalsContact O-CG 3.31Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.1Å |
| 111 | E | 81.4 | Confident | 80.5 | Confident | 119 Ų | 119 | 91.2 Ų | 91.2 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 177.8 | -173.7 | 173.9 | -179.7 | 0 | 0 | 112.2 | G107 A108 A113 L114 Q115 | G107-E111 PolarHBondContact O-N 3.43Å; A108-E111 PolarHBondContact O-N 2.98Å; E111-A113 PolarHBondContact O-N 2.99Å; E111-L114 PolarHBondContact O-N 3.28Å; E111-Q115 WeakPolarHBondContact O-CG 3.3Å; E111-Q115 PolarHBondContact O-N 3.4Å |
| 112 | I | 83.5 | Confident | 81.5 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 29% | 0.292 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177 | -66.4 | 166.4 | 0 | 0 | 0 | 110.7 | V51 L53 A108 L114 Q115 Q116 | V51-I112 HydrophobicContact CG1-CG2 4.21Å; L53-I112 HydrophobicContact CD2-CD1 3.89Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.29Å; A108-I112 VanDerWaalsContact O-N 3.13Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.07Å; I112-Q115 PolarHBondContact O-N 3.07Å; I112-Q116 WeakPolarHBondContact O-CG 3.1Å; I112-Q116 PolarHBondContact O-N 3.45Å |
| 113 | A | 80.7 | Confident | 82.4 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H109 Q110 E111 Q116 I117 | H109-A113 PolarHBondContact O-N 3.4Å; H109-A113 VanDerWaalsContact O-N 3.12Å; Q110-A113 PolarHBondContact O-N 2.91Å; E111-A113 PolarHBondContact O-N 2.99Å; A113-Q116 PolarHBondContact O-N 3.22Å; A113-I117 VanDerWaalsContact O-CG1 3.32Å; A113-I117 WeakPolarHBondContact O-CG1 3.32Å; A113-I117 PolarHBondContact O-N 3.48Å |
| 114 | L | 84.3 | Confident | 83.5 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.9 | -75.7 | 173.6 | 0 | 0 | 0 | 112.2 | Q110 E111 I112 Q116 I117 M118 | Q110-L114 HydrophobicContact CG-CD1 4.27Å; Q110-L114 WeakPolarHBondContact O-CB 3.07Å; Q110-L114 VanDerWaalsContact O-CG 3.31Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.1Å; E111-L114 PolarHBondContact O-N 3.28Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.07Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.37Å; L114-I117 PolarHBondContact O-N 3.46Å; L114-M118 WeakPolarHBondContact O-CB 3.39Å; L114-M118 VanDerWaalsContact O-CG 3.3Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.04Å |
| 115 | Q | 87.5 | Confident | 84.6 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 53% | 0.533 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 176.5 | -72.9 | -179.5 | 1.1 | 0 | 0 | 111.9 | E111 I112 M118 A119 | E111-Q115 WeakPolarHBondContact O-CG 3.3Å; E111-Q115 PolarHBondContact O-N 3.4Å; I112-Q115 PolarHBondContact O-N 3.07Å; Q115-M118 PolarHBondContact O-N 3.39Å; Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 3.11Å |
| 116 | Q | 87.3 | Confident | 85.8 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 174.3 | -71.8 | 177.5 | -15.9 | 0 | 0 | 111.7 | I112 A113 L114 M118 A119 H120 | I112-Q116 WeakPolarHBondContact O-CG 3.1Å; I112-Q116 PolarHBondContact O-N 3.45Å; A113-Q116 PolarHBondContact O-N 3.22Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.37Å; Q116-M118 VanDerWaalsContact C-N 3.28Å; Q116-M118 PolarHBondContact O-N 2.98Å; Q116-A119 PolarHBondContact O-N 3.41Å; Q116-H120 PolarHBondContact O-CD2 3.47Å; Q116-H120 PolarHBondContact O-N 2.95Å |
| 117 | I | 86.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 87.9 Ų | 87.9 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176.8 | -68.2 | 166 | 0 | 0 | 0 | 110.5 | A113 L114 H120 L121 | A113-I117 VanDerWaalsContact O-CG1 3.32Å; A113-I117 WeakPolarHBondContact O-CG1 3.32Å; A113-I117 PolarHBondContact O-N 3.48Å; L114-I117 PolarHBondContact O-N 3.46Å; I117-H120 PolarHBondContact O-N 3.38Å; I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 HydrophobicContact CG2-CG 4.43Å; I117-L121 WeakPolarHBondContact O-CG 3.49Å; I117-L121 PolarHBondContact O-N 2.97Å |
| 118 | M | 89.8 | Confident | 87.7 | Confident | 117 Ų | 117 | 88.8 Ų | 88.8 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 177 | -73.5 | -178.7 | 64.6 | 0 | 0 | 112.1 | L114 Q115 Q116 H120 L121 D122 | L114-M118 WeakPolarHBondContact O-CB 3.39Å; L114-M118 VanDerWaalsContact O-CG 3.3Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.04Å; Q115-M118 PolarHBondContact O-N 3.39Å; Q116-M118 VanDerWaalsContact C-N 3.28Å; Q116-M118 PolarHBondContact O-N 2.98Å; M118-H120 VanDerWaalsContact C-N 3.34Å; M118-H120 PolarHBondContact O-N 3.43Å; M118-L121 PolarHBondContact O-N 3.2Å; M118-D122 PolarHBondContact O-N 3.39Å |
| 119 | A | 92.1 | Very high | 88.5 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q115 Q116 D122 S123 | Q115-A119 WeakPolarHBondContact O-CB 3.41Å; Q115-A119 PolarHBondContact O-N 3.11Å; Q116-A119 PolarHBondContact O-N 3.41Å; A119-D122 PolarHBondContact O-N 2.92Å; A119-S123 PolarHBondContact O-N 3.39Å |
| 120 | H | 90.4 | Very high | 89.5 | Confident | 88 Ų | 88 | 90.2 Ų | 90.2 | 41% | 0.407 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.7 | -72.3 | -63.1 | 0 | 0 | 0 | 112.2 | Q116 I117 M118 D122 S123 I124 | Q116-H120 PolarHBondContact O-CD2 3.47Å; Q116-H120 PolarHBondContact O-N 2.95Å; I117-H120 PolarHBondContact O-N 3.38Å; M118-H120 VanDerWaalsContact C-N 3.34Å; M118-H120 PolarHBondContact O-N 3.43Å; H120-D122 VanDerWaalsContact C-N 3.3Å; H120-D122 PolarHBondContact O-N 3.36Å; H120-S123 WeakPolarHBondContact O-CB 3.5Å; H120-S123 PolarHBondContact O-N 3.49Å; H120-I124 WeakPolarHBondContact O-CG1 3.42Å; H120-I124 PolarHBondContact O-N 3.43Å |
| 121 | L | 93.5 | Very high | 90.4 | Very high | 95 Ų | 95 | 87.7 Ų | 87.7 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 175.4 | -72.8 | 175.2 | 0 | 0 | 0 | 112.2 | I117 M118 I124 R125 | I117-L121 HydrophobicContact CG2-CD1 4.12Å; I117-L121 HydrophobicContact CG2-CG 4.43Å; I117-L121 WeakPolarHBondContact O-CG 3.49Å; I117-L121 PolarHBondContact O-N 2.97Å; M118-L121 PolarHBondContact O-N 3.2Å; L121-I124 PolarHBondContact O-N 2.98Å; L121-R125 WeakPolarHBondContact O-CB 3.43Å; L121-R125 PolarHBondContact O-N 3.32Å |
| 122 | D | 94.1 | Very high | 90.6 | Very high | 66 Ų | 66 | 86.3 Ų | 86.3 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 175.7 | -76.3 | -20.8 | 0 | 0 | 0 | 112.2 | M118 A119 H120 R125 K126 | M118-D122 PolarHBondContact O-N 3.39Å; A119-D122 PolarHBondContact O-N 2.92Å; H120-D122 VanDerWaalsContact C-N 3.3Å; H120-D122 PolarHBondContact O-N 3.36Å; D122-R125 PolarHBondContact O-N 2.85Å; D122-R125 IonicContact OD1-CZ 3.28Å; D122-R125 VanDerWaalsContact OD1-CZ 3.28Å; D122-R125 IonicContact OD1-NH1 2.72Å; D122-R125 PolarHBondContact OD1-NH1 3.01Å; D122-R125 IonicContact OD1-NH2 3.28Å; D122-R125 PolarHBondContact OD1-NH2 2.89Å; D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3.26Å; D122-K126 VanDerWaalsContact O-N 3.1Å |
| 123 | S | 94.3 | Very high | 91 | Very high | 59 Ų | 59 | 91.1 Ų | 91.1 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 170.9 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | A119 H120 R125 K126 D127 | A119-S123 PolarHBondContact O-N 3.39Å; H120-S123 WeakPolarHBondContact O-CB 3.5Å; H120-S123 PolarHBondContact O-N 3.49Å; S123-R125 PolarHBondContact O-N 3.45Å; S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 3Å; S123-D127 PolarHBondContact O-N 2.9Å |
| 124 | I | 93.7 | Very high | 91.5 | Very high | 99 Ų | 99 | 91.7 Ų | 91.7 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.5 | -39.4 | 178.2 | -67.3 | 166.9 | 0 | 0 | 0 | 110.8 | H120 L121 K126 D127 M128 | H120-I124 WeakPolarHBondContact O-CG1 3.42Å; H120-I124 PolarHBondContact O-N 3.43Å; L121-I124 PolarHBondContact O-N 2.98Å; I124-K126 PolarHBondContact O-N 3.28Å; I124-D127 PolarHBondContact O-N 3.5Å; I124-M128 WeakPolarHBondContact O-CB 3.45Å; I124-M128 PolarHBondContact O-N 2.86Å |
| 125 | R | 95.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 92.5 Ų | 92.5 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.1 | -170.9 | -173.4 | -59.5 | 132.9 | 12.5 | 111.8 | L121 D122 S123 V129 | L121-R125 WeakPolarHBondContact O-CB 3.43Å; L121-R125 PolarHBondContact O-N 3.32Å; D122-R125 PolarHBondContact O-N 2.85Å; D122-R125 IonicContact OD1-CZ 3.28Å; D122-R125 VanDerWaalsContact OD1-CZ 3.28Å; D122-R125 IonicContact OD1-NH1 2.72Å; D122-R125 PolarHBondContact OD1-NH1 3.01Å; D122-R125 IonicContact OD1-NH2 3.28Å; D122-R125 PolarHBondContact OD1-NH2 2.89Å; S123-R125 PolarHBondContact O-N 3.45Å; R125-V129 WeakPolarHBondContact O-CG2 3.35Å; R125-V129 PolarHBondContact O-N 3.48Å; R125-V129 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 95.6 | Very high | 92.2 | Very high | 144 Ų | 144 | 91.2 Ų | 91.2 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -46.9 | 176.5 | -72 | 170.9 | -174.6 | 173.3 | 0 | 110.7 | D122 S123 I124 M128 V129 I130 | D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3.26Å; D122-K126 VanDerWaalsContact O-N 3.1Å; S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 3Å; I124-K126 PolarHBondContact O-N 3.28Å; K126-M128 VanDerWaalsContact C-N 3.32Å; K126-M128 PolarHBondContact O-N 2.91Å; K126-V129 PolarHBondContact O-N 3.13Å; K126-V129 VanDerWaalsContact O-N 3.13Å; K126-I130 WeakPolarHBondContact O-CG1 3.29Å; K126-I130 PolarHBondContact O-N 2.8Å |
| 127 | D | 94.2 | Very high | 92.5 | Very high | 94 Ų | 94 | 90 Ų | 90 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 179.6 | -61.5 | -22.7 | 0 | 0 | 0 | 111.2 | S123 I124 V129 I130 L131 | S123-D127 PolarHBondContact O-N 2.9Å; I124-D127 PolarHBondContact O-N 3.5Å; D127-V129 PolarHBondContact O-N 3.48Å; D127-I130 PolarHBondContact O-N 3.5Å; D127-L131 WeakPolarHBondContact O-CB 3.39Å; D127-L131 PolarHBondContact O-N 3.12Å |
| 128 | M | 94.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 90.2 Ų | 90.2 | 36% | 0.36 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 174.6 | -175.8 | -177.1 | 73.7 | 0 | 0 | 112.4 | I124 K126 L131 E132 | I124-M128 WeakPolarHBondContact O-CB 3.45Å; I124-M128 PolarHBondContact O-N 2.86Å; K126-M128 VanDerWaalsContact C-N 3.32Å; K126-M128 PolarHBondContact O-N 2.91Å; M128-L131 PolarHBondContact O-N 3.37Å; M128-E132 WeakPolarHBondContact O-CB 3.43Å; M128-E132 PolarHBondContact O-N 2.83Å |
| 129 | V | 93.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 34% | 0.339 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | R125 K126 D127 E132 K133 | R125-V129 WeakPolarHBondContact O-CG2 3.35Å; R125-V129 PolarHBondContact O-N 3.48Å; R125-V129 VanDerWaalsContact O-N 3.1Å; K126-V129 PolarHBondContact O-N 3.13Å; K126-V129 VanDerWaalsContact O-N 3.13Å; D127-V129 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 3.07Å; V129-K133 HydrophobicContact CG1-CD 3.86Å; V129-K133 HydrophobicContact CG1-CG 4.27Å; V129-K133 VanDerWaalsContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CB 3.43Å; V129-K133 WeakPolarHBondContact O-CG 3.47Å; V129-K133 PolarHBondContact O-N 3.3Å |
| 130 | I | 93.5 | Very high | 93.3 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.7 | -68.5 | 165.2 | 0 | 0 | 0 | 109.8 | K126 D127 E132 K133 S134 | K126-I130 WeakPolarHBondContact O-CG1 3.29Å; K126-I130 PolarHBondContact O-N 2.8Å; D127-I130 PolarHBondContact O-N 3.5Å; I130-E132 PolarHBondContact O-N 3.49Å; I130-K133 PolarHBondContact O-N 2.88Å; I130-S134 VanDerWaalsContact O-CB 3.24Å; I130-S134 WeakPolarHBondContact O-CB 3.44Å; I130-S134 PolarHBondContact O-N 3.27Å |
| 131 | L | 93.9 | Very high | 93.6 | Very high | 72 Ų | 72 | 93.5 Ų | 93.5 | 38% | 0.377 | 47% | 0.473 | S | S | . | . | I | π-helix | trans | -59.5 | -47.3 | 178.3 | -164.5 | 76 | 0 | 0 | 0 | 111.4 | D127 M128 E135 F136 | D127-L131 WeakPolarHBondContact O-CB 3.39Å; D127-L131 PolarHBondContact O-N 3.12Å; M128-L131 PolarHBondContact O-N 3.37Å; L131-E135 HydrophobicContact CD1-CB 4.25Å; L131-E135 HydrophobicContact CD1-CG 4.38Å; L131-E135 WeakPolarHBondContact CD1-OE2 3.32Å; L131-E135 PolarHBondContact O-N 3.48Å; L131-F136 HydrophobicContact CD2-CE2 3.72Å; L131-F136 HydrophobicContact CD2-CZ 4.41Å; L131-F136 HydrophobicContact CG-CD2 4.05Å; L131-F136 HydrophobicContact CG-CE2 3.72Å; L131-F136 VanDerWaalsContact O-CD2 3.27Å; L131-F136 WeakPolarHBondContact O-CD2 3.24Å; L131-F136 PolarHBondContact O-N 3.06Å |
| 132 | E | 85.6 | Confident | 93.7 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | I | π-helix | trans | -66.6 | -42.9 | -179.8 | -169 | 173.1 | -165.4 | 0 | 0 | 113.1 | M128 V129 I130 | M128-E132 WeakPolarHBondContact O-CB 3.43Å; M128-E132 PolarHBondContact O-N 2.83Å; V129-E132 PolarHBondContact O-N 3.07Å; I130-E132 PolarHBondContact O-N 3.49Å |
| 133 | K | 91.8 | Very high | 93.9 | Very high | 158 Ų | 158 | 96 Ų | 96 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | I | π-helix | trans | -84.8 | -34.7 | -174.4 | -70.9 | -171.4 | 176.3 | -177 | 0 | 114.2 | V129 I130 A137 | V129-K133 HydrophobicContact CG1-CD 3.86Å; V129-K133 HydrophobicContact CG1-CG 4.27Å; V129-K133 VanDerWaalsContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CB 3.43Å; V129-K133 WeakPolarHBondContact O-CG 3.47Å; V129-K133 PolarHBondContact O-N 3.3Å; I130-K133 PolarHBondContact O-N 2.88Å; K133-A137 WeakPolarHBondContact O-CB 3.43Å |
| 134 | S | 90.1 | Very high | 94 | Very high | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | I | π-helix | trans | -99.7 | -65.8 | -175 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | I130 A137 N138 | I130-S134 VanDerWaalsContact O-CB 3.24Å; I130-S134 WeakPolarHBondContact O-CB 3.44Å; I130-S134 PolarHBondContact O-N 3.27Å; S134-A137 PolarHBondContact O-N 2.84Å; S134-N138 WeakPolarHBondContact O-CB 3.17Å; S134-N138 PolarHBondContact O-N 2.9Å; S134-N138 PolarHBondContact O-ND2 3.29Å; S134-N138 PolarHBondContact O-OD1 2.95Å |
| 135 | E | 91.6 | Very high | 94.2 | Very high | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -70.5 | -47.4 | -167.9 | -62.3 | -169.9 | -174.2 | 0 | 0 | 112.4 | L131 A137 N138 L139 | L131-E135 HydrophobicContact CD1-CB 4.25Å; L131-E135 HydrophobicContact CD1-CG 4.38Å; L131-E135 WeakPolarHBondContact CD1-OE2 3.32Å; L131-E135 PolarHBondContact O-N 3.48Å; E135-A137 VanDerWaalsContact C-N 3.33Å; E135-A137 PolarHBondContact O-N 3.17Å; E135-N138 PolarHBondContact O-N 2.97Å; E135-L139 WeakPolarHBondContact O-CB 3.44Å; E135-L139 WeakPolarHBondContact O-CG 3.27Å; E135-L139 PolarHBondContact O-N 2.77Å |
| 136 | F | 94.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 95.4 Ų | 95.4 | 39% | 0.386 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -32.6 | 177.4 | -78.1 | -61.1 | 0 | 0 | 0 | 113 | L131 R140 | L131-F136 HydrophobicContact CD2-CE2 3.72Å; L131-F136 HydrophobicContact CD2-CZ 4.41Å; L131-F136 HydrophobicContact CG-CD2 4.05Å; L131-F136 HydrophobicContact CG-CE2 3.72Å; L131-F136 VanDerWaalsContact O-CD2 3.27Å; L131-F136 WeakPolarHBondContact O-CD2 3.24Å; L131-F136 PolarHBondContact O-N 3.06Å; F136-R140 WeakPolarHBondContact O-CB 3.43Å; F136-R140 VanDerWaalsContact O-CG 3.31Å; F136-R140 WeakPolarHBondContact O-CG 3.43Å; F136-R140 PolarHBondContact O-N 3.5Å |
| 137 | A | 93.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 95 Ų | 95 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K133 S134 E135 R140 S141 | K133-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 2.84Å; E135-A137 VanDerWaalsContact C-N 3.33Å; E135-A137 PolarHBondContact O-N 3.17Å; A137-R140 PolarHBondContact O-N 3.38Å; A137-S141 WeakPolarHBondContact O-CB 3.35Å; A137-S141 PolarHBondContact O-N 2.89Å |
| 138 | N | 95.4 | Very high | 94.7 | Very high | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 176.2 | -70.1 | -14.7 | 0 | 0 | 0 | 111.2 | S134 E135 R140 S141 E142 | S134-N138 WeakPolarHBondContact O-CB 3.17Å; S134-N138 PolarHBondContact O-N 2.9Å; S134-N138 PolarHBondContact O-ND2 3.29Å; S134-N138 PolarHBondContact O-OD1 2.95Å; E135-N138 PolarHBondContact O-N 2.97Å; N138-R140 VanDerWaalsContact C-N 3.34Å; N138-R140 PolarHBondContact O-N 3.24Å; N138-S141 WeakPolarHBondContact O-CB 3.39Å; N138-S141 PolarHBondContact O-N 3.45Å; N138-E142 WeakPolarHBondContact O-CB 3.31Å; N138-E142 PolarHBondContact O-N 3.04Å |
| 139 | L | 95.9 | Very high | 94.9 | Very high | 103 Ų | 103 | 94.8 Ų | 94.8 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 177.8 | -75 | 172.9 | 0 | 0 | 0 | 112.5 | E135 N143 | E135-L139 WeakPolarHBondContact O-CB 3.44Å; E135-L139 WeakPolarHBondContact O-CG 3.27Å; E135-L139 PolarHBondContact O-N 2.77Å; L139-N143 WeakPolarHBondContact O-CB 3.35Å; L139-N143 PolarHBondContact O-N 3.34Å |
| 140 | R | 94.8 | Very high | 95.1 | Very high | 150 Ų | 150 | 97.8 Ų | 97.8 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 175.7 | -77 | -176.2 | -173.1 | 110 | -1.2 | 112.1 | F136 A137 N138 N143 A144 | F136-R140 WeakPolarHBondContact O-CB 3.43Å; F136-R140 VanDerWaalsContact O-CG 3.31Å; F136-R140 WeakPolarHBondContact O-CG 3.43Å; F136-R140 PolarHBondContact O-N 3.5Å; A137-R140 PolarHBondContact O-N 3.38Å; N138-R140 VanDerWaalsContact C-N 3.34Å; N138-R140 PolarHBondContact O-N 3.24Å; R140-N143 PolarHBondContact O-N 3.22Å; R140-A144 WeakPolarHBondContact O-CB 3.43Å; R140-A144 PolarHBondContact O-N 2.97Å |
| 141 | S | 96.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 57% | 0.573 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -47.2 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | A137 N138 A144 K145 | A137-S141 WeakPolarHBondContact O-CB 3.35Å; A137-S141 PolarHBondContact O-N 2.89Å; N138-S141 WeakPolarHBondContact O-CB 3.39Å; N138-S141 PolarHBondContact O-N 3.45Å; S141-A144 PolarHBondContact O-N 3.46Å; S141-K145 WeakPolarHBondContact O-CB 3.12Å; S141-K145 PolarHBondContact O-N 3.34Å |
| 142 | E | 96.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 97.9 Ų | 97.9 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 178 | -169.2 | 175.9 | -169.2 | 0 | 0 | 111.7 | N138 A144 K145 M146 | N138-E142 WeakPolarHBondContact O-CB 3.31Å; N138-E142 PolarHBondContact O-N 3.04Å; E142-A144 PolarHBondContact O-N 3.28Å; E142-K145 PolarHBondContact O-N 3.5Å; E142-M146 HydrophobicContact CG-CE 4.28Å; E142-M146 WeakPolarHBondContact O-CB 3.5Å; E142-M146 WeakPolarHBondContact O-CG 3.2Å; E142-M146 PolarHBondContact O-N 2.91Å |
| 143 | N | 97.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175 | -165 | -85.3 | 0 | 0 | 0 | 112.1 | L139 R140 K145 M146 K147 | L139-N143 WeakPolarHBondContact O-CB 3.35Å; L139-N143 PolarHBondContact O-N 3.34Å; R140-N143 PolarHBondContact O-N 3.22Å; N143-K145 VanDerWaalsContact C-N 3.34Å; N143-K145 PolarHBondContact O-N 3.44Å; N143-M146 PolarHBondContact O-N 3.5Å; N143-K147 WeakPolarHBondContact O-CB 3.4Å; N143-K147 PolarHBondContact O-N 2.96Å |
| 144 | A | 97.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R140 S141 E142 K147 T148 | R140-A144 WeakPolarHBondContact O-CB 3.43Å; R140-A144 PolarHBondContact O-N 2.97Å; S141-A144 PolarHBondContact O-N 3.46Å; E142-A144 PolarHBondContact O-N 3.28Å; A144-K147 PolarHBondContact O-N 3.48Å; A144-T148 PolarHBondContact O-N 2.95Å; A144-T148 PolarHBondContact O-OG1 2.85Å |
| 145 | K | 98.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 102 Ų | 102 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -51.5 | 174.7 | -177.4 | -178.8 | 171 | -173.7 | 0 | 111.2 | S141 E142 N143 K147 T148 E149 | S141-K145 WeakPolarHBondContact O-CB 3.12Å; S141-K145 PolarHBondContact O-N 3.34Å; E142-K145 PolarHBondContact O-N 3.5Å; N143-K145 VanDerWaalsContact C-N 3.34Å; N143-K145 PolarHBondContact O-N 3.44Å; K145-K147 VanDerWaalsContact C-N 3.28Å; K145-K147 PolarHBondContact O-N 3.37Å; K145-T148 WeakPolarHBondContact O-CB 3.36Å; K145-T148 PolarHBondContact O-N 3.05Å; K145-E149 WeakPolarHBondContact CE-OE1 3.48Å; K145-E149 IonicContact NZ-OE1 3.76Å; K145-E149 PolarHBondContact O-N 2.8Å |
| 146 | M | 98.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 105.2 Ų | 105.2 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 177.3 | -75.3 | -169.9 | -69.4 | 0 | 0 | 111.9 | E142 N143 T148 E149 L150 | E142-M146 HydrophobicContact CG-CE 4.28Å; E142-M146 WeakPolarHBondContact O-CB 3.5Å; E142-M146 WeakPolarHBondContact O-CG 3.2Å; E142-M146 PolarHBondContact O-N 2.91Å; N143-M146 PolarHBondContact O-N 3.5Å; M146-T148 VanDerWaalsContact C-N 3.32Å; M146-T148 PolarHBondContact O-N 3.32Å; M146-E149 PolarHBondContact O-N 2.8Å; M146-L150 WeakPolarHBondContact O-CB 3.4Å; M146-L150 PolarHBondContact O-N 2.78Å |
| 147 | K | 98.1 | Very high | 97.3 | Very high | 137 Ų | 137 | 106.8 Ų | 106.8 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 175.9 | -173.8 | 175.3 | 179.7 | -179.5 | 0 | 112.1 | N143 A144 K145 L150 D151 | N143-K147 WeakPolarHBondContact O-CB 3.4Å; N143-K147 PolarHBondContact O-N 2.96Å; A144-K147 PolarHBondContact O-N 3.48Å; K145-K147 VanDerWaalsContact C-N 3.28Å; K145-K147 PolarHBondContact O-N 3.37Å; K147-L150 WeakPolarHBondContact O-CB 3.3Å; K147-L150 PolarHBondContact O-N 2.93Å; K147-D151 PolarHBondContact O-N 3.45Å |
| 148 | T | 98.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 109.6 Ų | 109.6 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | A144 K145 M146 D151 Q152 | A144-T148 PolarHBondContact O-N 2.95Å; A144-T148 PolarHBondContact O-OG1 2.85Å; K145-T148 WeakPolarHBondContact O-CB 3.36Å; K145-T148 PolarHBondContact O-N 3.05Å; M146-T148 VanDerWaalsContact C-N 3.32Å; M146-T148 PolarHBondContact O-N 3.32Å; T148-D151 PolarHBondContact O-N 3.24Å; T148-Q152 VanDerWaalsContact O-CG 3.3Å; T148-Q152 WeakPolarHBondContact O-CG 3.28Å; T148-Q152 PolarHBondContact O-N 3.45Å |
| 149 | E | 98.2 | Very high | 97.7 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 176.8 | -71 | 178 | -177.7 | 0 | 0 | 111.8 | K145 M146 D151 Q152 I153 | K145-E149 WeakPolarHBondContact CE-OE1 3.48Å; K145-E149 IonicContact NZ-OE1 3.76Å; K145-E149 PolarHBondContact O-N 2.8Å; M146-E149 PolarHBondContact O-N 2.8Å; E149-D151 PolarHBondContact O-N 3Å; E149-Q152 PolarHBondContact O-N 3.34Å; E149-I153 WeakPolarHBondContact O-CG1 3.38Å; E149-I153 PolarHBondContact O-N 3.41Å |
| 150 | L | 98.5 | Very high | 97.8 | Very high | 119 Ų | 119 | 110.1 Ų | 110.1 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.5 | -48.2 | 173.9 | -172.5 | 96 | 0 | 0 | 0 | 111.3 | M146 K147 Q152 I153 R154 | M146-L150 WeakPolarHBondContact O-CB 3.4Å; M146-L150 PolarHBondContact O-N 2.78Å; K147-L150 WeakPolarHBondContact O-CB 3.3Å; K147-L150 PolarHBondContact O-N 2.93Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.5Å; L150-I153 PolarHBondContact O-N 2.89Å; L150-R154 VanDerWaalsContact O-CB 3.3Å; L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.32Å |
| 151 | D | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 105.7 Ų | 105.7 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 178.8 | -75.4 | -25.8 | 0 | 0 | 0 | 111.5 | K147 T148 E149 R154 N155 | K147-D151 PolarHBondContact O-N 3.45Å; T148-D151 PolarHBondContact O-N 3.24Å; E149-D151 PolarHBondContact O-N 3Å; D151-R154 PolarHBondContact O-N 3.49Å; D151-N155 WeakPolarHBondContact O-CB 3.38Å; D151-N155 PolarHBondContact O-N 2.91Å; D151-N155 PolarHBondContact O-ND2 3.34Å |
| 152 | Q | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.5 | -73 | 175.9 | 11.4 | 0 | 0 | 112.2 | T148 E149 L150 R154 N155 R156 | T148-Q152 VanDerWaalsContact O-CG 3.3Å; T148-Q152 WeakPolarHBondContact O-CG 3.28Å; T148-Q152 PolarHBondContact O-N 3.45Å; E149-Q152 PolarHBondContact O-N 3.34Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.5Å; Q152-R154 VanDerWaalsContact C-N 3.35Å; Q152-N155 PolarHBondContact O-N 3.42Å; Q152-R156 WeakPolarHBondContact O-CG 2.97Å; Q152-R156 PolarHBondContact O-N 2.92Å |
| 153 | I | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 59% | 0.585 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 178.5 | -68.7 | 168.5 | 0 | 0 | 0 | 110.3 | E149 L150 N155 R156 L157 | E149-I153 WeakPolarHBondContact O-CG1 3.38Å; E149-I153 PolarHBondContact O-N 3.41Å; L150-I153 PolarHBondContact O-N 2.89Å; I153-N155 VanDerWaalsContact C-N 3.33Å; I153-N155 PolarHBondContact O-N 3.33Å; I153-R156 PolarHBondContact O-N 3.29Å; I153-L157 WeakPolarHBondContact O-CB 3.3Å; I153-L157 PolarHBondContact O-N 3Å |
| 154 | R | 98.2 | Very high | 98.3 | Very high | 169 Ų | 169 | 106 Ų | 106 | 64% | 0.638 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.2 | -47 | 176.3 | -176.9 | -173.9 | 178.9 | 102 | 2 | 111.3 | L150 D151 Q152 L157 M158 | L150-R154 VanDerWaalsContact O-CB 3.3Å; L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.32Å; D151-R154 PolarHBondContact O-N 3.49Å; Q152-R154 VanDerWaalsContact C-N 3.35Å; R154-L157 PolarHBondContact O-N 3.12Å; R154-M158 VanDerWaalsContact O-CG 3.28Å; R154-M158 WeakPolarHBondContact O-CG 3.35Å; R154-M158 PolarHBondContact O-N 2.97Å |
| 155 | N | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 112.2 Ų | 112.2 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 179.9 | -71.8 | -22.5 | 0 | 0 | 0 | 112 | D151 Q152 I153 L157 M158 E159 | D151-N155 WeakPolarHBondContact O-CB 3.38Å; D151-N155 PolarHBondContact O-N 2.91Å; D151-N155 PolarHBondContact O-ND2 3.34Å; Q152-N155 PolarHBondContact O-N 3.42Å; I153-N155 VanDerWaalsContact C-N 3.33Å; I153-N155 PolarHBondContact O-N 3.33Å; N155-L157 PolarHBondContact O-N 3Å; N155-M158 PolarHBondContact O-N 2.88Å; N155-E159 PolarHBondContact O-N 2.86Å |
| 156 | R | 98.3 | Very high | 98.3 | Very high | 174 Ų | 174 | 109 Ų | 109 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | 174.8 | -72.9 | 177.7 | -176.2 | -174.5 | 2.9 | 111.8 | Q152 I153 M158 E159 E160 | Q152-R156 WeakPolarHBondContact O-CG 2.97Å; Q152-R156 PolarHBondContact O-N 2.92Å; I153-R156 PolarHBondContact O-N 3.29Å; R156-M158 VanDerWaalsContact C-N 3.34Å; R156-M158 PolarHBondContact O-N 2.95Å; R156-E159 PolarHBondContact O-N 3.27Å; R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.77Å |
| 157 | L | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 108.8 Ų | 108.8 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 178.6 | -178.9 | 65.3 | 0 | 0 | 0 | 111.8 | I153 R154 N155 E159 S161 | I153-L157 WeakPolarHBondContact O-CB 3.3Å; I153-L157 PolarHBondContact O-N 3Å; R154-L157 PolarHBondContact O-N 3.12Å; N155-L157 PolarHBondContact O-N 3Å; L157-E159 VanDerWaalsContact C-N 3.32Å; L157-E159 PolarHBondContact O-N 2.86Å; L157-S161 WeakPolarHBondContact O-CB 3.45Å; L157-S161 PolarHBondContact O-N 2.87Å |
| 158 | M | 98.3 | Very high | 98.3 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.2 | -73 | -62.8 | -63.2 | 0 | 0 | 112 | R154 N155 R156 K162 | R154-M158 VanDerWaalsContact O-CG 3.28Å; R154-M158 WeakPolarHBondContact O-CG 3.35Å; R154-M158 PolarHBondContact O-N 2.97Å; N155-M158 PolarHBondContact O-N 2.88Å; R156-M158 VanDerWaalsContact C-N 3.34Å; R156-M158 PolarHBondContact O-N 2.95Å; M158-K162 VanDerWaalsContact O-CG 3.29Å; M158-K162 WeakPolarHBondContact O-CG 3.44Å; M158-K162 PolarHBondContact O-N 3.29Å; M158-K162 VanDerWaalsContact O-N 3.1Å |
| 159 | E | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71 | -47.8 | 179.1 | -166.9 | 56.1 | -149.9 | 0 | 0 | 111.9 | N155 R156 L157 S161 K162 K163 | N155-E159 PolarHBondContact O-N 2.86Å; R156-E159 PolarHBondContact O-N 3.27Å; L157-E159 VanDerWaalsContact C-N 3.32Å; L157-E159 PolarHBondContact O-N 2.86Å; E159-S161 VanDerWaalsContact C-N 3.29Å; E159-S161 PolarHBondContact O-N 3.03Å; E159-K162 WeakPolarHBondContact O-CB 3.42Å; E159-K162 PolarHBondContact O-N 3.31Å; E159-K162 VanDerWaalsContact O-N 3.12Å; E159-K162 IonicContact OE2-NZ 3.38Å; E159-K163 WeakPolarHBondContact O-CB 3.29Å; E159-K163 PolarHBondContact O-N 3.1Å |
| 160 | E | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 175.1 | -72.6 | -60.8 | 128.8 | 0 | 0 | 111.5 | R156 K162 K163 V164 | R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.77Å; E160-K162 PolarHBondContact O-N 2.89Å; E160-K163 PolarHBondContact O-N 3.35Å; E160-V164 WeakPolarHBondContact O-CB 3.47Å; E160-V164 VanDerWaalsContact O-CG2 3.3Å; E160-V164 WeakPolarHBondContact O-CG2 3.5Å; E160-V164 PolarHBondContact O-N 3.06Å |
| 161 | S | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 107.1 Ų | 107.1 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 175 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | L157 E159 R165 | L157-S161 WeakPolarHBondContact O-CB 3.45Å; L157-S161 PolarHBondContact O-N 2.87Å; E159-S161 VanDerWaalsContact C-N 3.29Å; E159-S161 PolarHBondContact O-N 3.03Å; S161-R165 VanDerWaalsContact O-CB 3.31Å; S161-R165 WeakPolarHBondContact O-CB 3.3Å; S161-R165 PolarHBondContact O-N 3.1Å |
| 162 | K | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 108.6 Ų | 108.6 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.1 | -74.1 | 171.8 | -172.6 | 173.1 | 0 | 111.4 | M158 E159 E160 R165 A166 | M158-K162 VanDerWaalsContact O-CG 3.29Å; M158-K162 WeakPolarHBondContact O-CG 3.44Å; M158-K162 PolarHBondContact O-N 3.29Å; M158-K162 VanDerWaalsContact O-N 3.1Å; E159-K162 WeakPolarHBondContact O-CB 3.42Å; E159-K162 PolarHBondContact O-N 3.31Å; E159-K162 VanDerWaalsContact O-N 3.12Å; E159-K162 IonicContact OE2-NZ 3.38Å; E160-K162 PolarHBondContact O-N 2.89Å; K162-R165 PolarHBondContact O-N 3.12Å; K162-A166 WeakPolarHBondContact O-CB 3.04Å; K162-A166 PolarHBondContact O-N 3.44Å |
| 163 | K | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -53.7 | 178 | -177.2 | -176.5 | 170.5 | -167.1 | 0 | 111.1 | E159 E160 R165 A166 E167 | E159-K163 WeakPolarHBondContact O-CB 3.29Å; E159-K163 PolarHBondContact O-N 3.1Å; E160-K163 PolarHBondContact O-N 3.35Å; K163-R165 VanDerWaalsContact C-N 3.26Å; K163-R165 PolarHBondContact O-N 2.91Å; K163-A166 WeakPolarHBondContact O-CB 3.34Å; K163-A166 PolarHBondContact O-N 3Å; K163-E167 WeakPolarHBondContact CE-OE1 3.31Å; K163-E167 WeakPolarHBondContact O-CG 3.2Å; K163-E167 PolarHBondContact O-N 3.1Å |
| 164 | V | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 106.7 Ų | 106.7 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.1 | -40.4 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | E160 A168 | E160-V164 WeakPolarHBondContact O-CB 3.47Å; E160-V164 VanDerWaalsContact O-CG2 3.3Å; E160-V164 WeakPolarHBondContact O-CG2 3.5Å; E160-V164 PolarHBondContact O-N 3.06Å; V164-A168 VanDerWaalsContact O-CB 3.31Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.41Å |
| 165 | R | 98.2 | Very high | 98.3 | Very high | 185 Ų | 185 | 103.3 Ų | 103.3 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 176.1 | -175.8 | -173.7 | -60.5 | -164.4 | -0.5 | 112.3 | S161 K162 K163 K169 | S161-R165 VanDerWaalsContact O-CB 3.31Å; S161-R165 WeakPolarHBondContact O-CB 3.3Å; S161-R165 PolarHBondContact O-N 3.1Å; K162-R165 PolarHBondContact O-N 3.12Å; K163-R165 VanDerWaalsContact C-N 3.26Å; K163-R165 PolarHBondContact O-N 2.91Å; R165-K169 WeakPolarHBondContact O-CB 3.48Å; R165-K169 PolarHBondContact O-N 2.87Å |
| 166 | A | 98.4 | Very high | 98.3 | Very high | 62 Ų | 62 | 105.8 Ų | 105.8 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K162 K163 K169 L170 | K162-A166 WeakPolarHBondContact O-CB 3.04Å; K162-A166 PolarHBondContact O-N 3.44Å; K163-A166 WeakPolarHBondContact O-CB 3.34Å; K163-A166 PolarHBondContact O-N 3Å; A166-K169 PolarHBondContact O-N 3.02Å; A166-L170 PolarHBondContact O-N 3.25Å |
| 167 | E | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -53.3 | 174.5 | -72.7 | 173.7 | 176 | 0 | 0 | 110.9 | K163 K169 L170 D171 | K163-E167 WeakPolarHBondContact CE-OE1 3.31Å; K163-E167 WeakPolarHBondContact O-CG 3.2Å; K163-E167 PolarHBondContact O-N 3.1Å; E167-K169 VanDerWaalsContact C-N 3.28Å; E167-K169 PolarHBondContact O-N 2.94Å; E167-L170 WeakPolarHBondContact O-CA 3.41Å; E167-L170 WeakPolarHBondContact O-CB 3.5Å; E167-L170 PolarHBondContact O-N 3.34Å; E167-D171 PolarHBondContact O-N 3.07Å |
| 168 | A | 98.3 | Very high | 98.3 | Very high | 43 Ų | 43 | 100.5 Ų | 100.5 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V164 I172 | V164-A168 VanDerWaalsContact O-CB 3.31Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.41Å; A168-I172 WeakPolarHBondContact O-CB 3.17Å; A168-I172 WeakPolarHBondContact O-CD1 3.2Å; A168-I172 WeakPolarHBondContact O-CG1 3.4Å; A168-I172 PolarHBondContact O-N 3.05Å |
| 169 | K | 98.3 | Very high | 98.3 | Very high | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.609 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 175.3 | -174.8 | 176.6 | -179.8 | -178.1 | 0 | 111.5 | R165 A166 E167 N173 | R165-K169 WeakPolarHBondContact O-CB 3.48Å; R165-K169 PolarHBondContact O-N 2.87Å; A166-K169 PolarHBondContact O-N 3.02Å; E167-K169 VanDerWaalsContact C-N 3.28Å; E167-K169 PolarHBondContact O-N 2.94Å; K169-N173 WeakPolarHBondContact O-CB 3.4Å; K169-N173 PolarHBondContact O-N 3.08Å; K169-N173 VanDerWaalsContact O-N 3.08Å; K169-N173 PolarHBondContact O-ND2 3.45Å; K169-N173 VanDerWaalsContact O-ND2 3.1Å |
| 170 | L | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 175.9 | 179.1 | 61.3 | 0 | 0 | 0 | 110.5 | A166 E167 I172 N173 L174 | A166-L170 PolarHBondContact O-N 3.25Å; E167-L170 WeakPolarHBondContact O-CA 3.41Å; E167-L170 WeakPolarHBondContact O-CB 3.5Å; E167-L170 PolarHBondContact O-N 3.34Å; L170-I172 PolarHBondContact O-N 3.04Å; L170-N173 WeakPolarHBondContact O-CB 3.42Å; L170-N173 PolarHBondContact O-N 2.91Å; L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.39Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 2.88Å |
| 171 | D | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 178.9 | -71.1 | -8.8 | 0 | 0 | 0 | 111.7 | E167 N173 L174 E175 | E167-D171 PolarHBondContact O-N 3.07Å; D171-N173 VanDerWaalsContact C-N 3.29Å; D171-N173 PolarHBondContact O-N 3.24Å; D171-L174 PolarHBondContact O-N 3.36Å; D171-E175 PolarHBondContact O-N 3.02Å |
| 172 | I | 98.1 | Very high | 98.3 | Very high | 102 Ų | 102 | 99 Ų | 99 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.6 | -70 | 165.7 | 0 | 0 | 0 | 111.1 | A168 L170 R176 | A168-I172 WeakPolarHBondContact O-CB 3.17Å; A168-I172 WeakPolarHBondContact O-CD1 3.2Å; A168-I172 WeakPolarHBondContact O-CG1 3.4Å; A168-I172 PolarHBondContact O-N 3.05Å; L170-I172 PolarHBondContact O-N 3.04Å; I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 PolarHBondContact O-N 2.94Å |
| 173 | N | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 179.3 | -75.6 | -29 | 0 | 0 | 0 | 112 | K169 L170 D171 R176 S177 | K169-N173 WeakPolarHBondContact O-CB 3.4Å; K169-N173 PolarHBondContact O-N 3.08Å; K169-N173 VanDerWaalsContact O-N 3.08Å; K169-N173 PolarHBondContact O-ND2 3.45Å; K169-N173 VanDerWaalsContact O-ND2 3.1Å; L170-N173 WeakPolarHBondContact O-CB 3.42Å; L170-N173 PolarHBondContact O-N 2.91Å; D171-N173 VanDerWaalsContact C-N 3.29Å; D171-N173 PolarHBondContact O-N 3.24Å; N173-R176 PolarHBondContact O-N 3.26Å; N173-S177 PolarHBondContact O-N 3.16Å |
| 174 | L | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 176.8 | -69.5 | 175.7 | 0 | 0 | 0 | 111.1 | L170 D171 R176 S177 R178 | L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.39Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 2.88Å; D171-L174 PolarHBondContact O-N 3.36Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.45Å; L174-S177 PolarHBondContact O-N 3.45Å; L174-R178 WeakPolarHBondContact O-CB 3.48Å; L174-R178 PolarHBondContact O-N 2.88Å |
| 175 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.7 | -78.4 | -57.9 | 129.4 | 0 | 0 | 112.1 | D171 R178 V179 | D171-E175 PolarHBondContact O-N 3.02Å; E175-R178 PolarHBondContact O-N 2.92Å; E175-R178 IonicContact OE1-NE 4Å; E175-R178 PolarHBondContact OE1-NE 3.43Å; E175-R178 IonicContact OE2-CZ 3.58Å; E175-R178 IonicContact OE2-NE 3.94Å; E175-R178 PolarHBondContact OE2-NE 3.05Å; E175-R178 IonicContact OE2-NH2 3.63Å; E175-R178 PolarHBondContact OE2-NH2 3.17Å; E175-V179 WeakPolarHBondContact O-CB 3.37Å; E175-V179 VanDerWaalsContact O-CG2 3.31Å; E175-V179 WeakPolarHBondContact O-CG2 3.47Å; E175-V179 PolarHBondContact O-N 2.92Å |
| 176 | R | 98.3 | Very high | 98.2 | Very high | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -48 | 173.5 | -178.8 | -179.3 | -66.3 | 171.3 | -1.1 | 111.1 | I172 N173 L174 R178 V179 T180 | I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 PolarHBondContact O-N 2.94Å; N173-R176 PolarHBondContact O-N 3.26Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.45Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.76Å; R176-V179 PolarHBondContact O-N 2.89Å; R176-T180 WeakPolarHBondContact O-CB 3.31Å; R176-T180 PolarHBondContact O-N 3.42Å; R176-T180 PolarHBondContact O-OG1 3.32Å; R176-T180 VanDerWaalsContact O-OG1 3.05Å |
| 177 | S | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 98.5 Ų | 98.5 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 177.1 | -164.1 | 0 | 0 | 0 | 0 | 110.8 | N173 L174 V179 T180 D181 | N173-S177 PolarHBondContact O-N 3.16Å; L174-S177 PolarHBondContact O-N 3.45Å; S177-V179 PolarHBondContact O-N 2.85Å; S177-T180 PolarHBondContact O-N 3.36Å; S177-D181 VanDerWaalsContact O-CG 3.27Å; S177-D181 PolarHBondContact O-N 3.02Å |
| 178 | R | 98.3 | Very high | 98.1 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.2 | -167.1 | -178.3 | 73.6 | 79.3 | 1.7 | 112.3 | L174 E175 R176 D181 M182 | L174-R178 WeakPolarHBondContact O-CB 3.48Å; L174-R178 PolarHBondContact O-N 2.88Å; E175-R178 PolarHBondContact O-N 2.92Å; E175-R178 IonicContact OE1-NE 4Å; E175-R178 PolarHBondContact OE1-NE 3.43Å; E175-R178 IonicContact OE2-CZ 3.58Å; E175-R178 IonicContact OE2-NE 3.94Å; E175-R178 PolarHBondContact OE2-NE 3.05Å; E175-R178 IonicContact OE2-NH2 3.63Å; E175-R178 PolarHBondContact OE2-NH2 3.17Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.76Å; R178-D181 PolarHBondContact O-N 2.84Å; R178-M182 PolarHBondContact NH1-SD 3.34Å; R178-M182 VanDerWaalsContact O-CG 3.32Å; R178-M182 WeakPolarHBondContact O-CG 3.5Å; R178-M182 PolarHBondContact O-N 2.94Å |
| 179 | V | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 103.2 Ų | 103.2 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.7 | 170 | 0 | 0 | 0 | 0 | 110.9 | E175 R176 S177 M182 F183 | E175-V179 WeakPolarHBondContact O-CB 3.37Å; E175-V179 VanDerWaalsContact O-CG2 3.31Å; E175-V179 WeakPolarHBondContact O-CG2 3.47Å; E175-V179 PolarHBondContact O-N 2.92Å; R176-V179 PolarHBondContact O-N 2.89Å; S177-V179 PolarHBondContact O-N 2.85Å; V179-M182 PolarHBondContact O-N 2.94Å; V179-F183 WeakPolarHBondContact O-CB 3.43Å; V179-F183 PolarHBondContact O-N 2.96Å |
| 180 | T | 98.2 | Very high | 98 | Very high | 73 Ų | 73 | 102.6 Ų | 102.6 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.6 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | R176 S177 M182 F183 T184 | R176-T180 WeakPolarHBondContact O-CB 3.31Å; R176-T180 PolarHBondContact O-N 3.42Å; R176-T180 PolarHBondContact O-OG1 3.32Å; R176-T180 VanDerWaalsContact O-OG1 3.05Å; S177-T180 PolarHBondContact O-N 3.36Å; T180-M182 PolarHBondContact O-N 3.47Å; T180-F183 WeakPolarHBondContact O-CB 3.48Å; T180-F183 PolarHBondContact O-N 3.44Å; T180-F183 VanDerWaalsContact O-N 3.16Å; T180-T184 HydrophobicContact CG2-CG2 4.43Å; T180-T184 WeakPolarHBondContact O-CG2 3.34Å; T180-T184 PolarHBondContact O-N 2.89Å; T180-T184 PolarHBondContact O-OG1 2.95Å |
| 181 | D | 97.9 | Very high | 98 | Very high | 95 Ų | 95 | 103.9 Ų | 103.9 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 178.9 | -66.7 | -23.3 | 0 | 0 | 0 | 111.1 | S177 R178 F183 T184 E185 | S177-D181 VanDerWaalsContact O-CG 3.27Å; S177-D181 PolarHBondContact O-N 3.02Å; R178-D181 PolarHBondContact O-N 2.84Å; D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact O-N 3.46Å; D181-T184 PolarHBondContact O-N 3.41Å; D181-T184 PolarHBondContact O-OG1 3.26Å; D181-E185 PolarHBondContact O-N 2.88Å |
| 182 | M | 97.8 | Very high | 98 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 174.8 | -72.7 | 179.5 | 63 | 0 | 0 | 112.6 | R178 V179 T180 E185 Q186 | R178-M182 PolarHBondContact NH1-SD 3.34Å; R178-M182 VanDerWaalsContact O-CG 3.32Å; R178-M182 WeakPolarHBondContact O-CG 3.5Å; R178-M182 PolarHBondContact O-N 2.94Å; V179-M182 PolarHBondContact O-N 2.94Å; T180-M182 PolarHBondContact O-N 3.47Å; M182-E185 PolarHBondContact O-N 3.19Å; M182-Q186 WeakPolarHBondContact O-CG 3.32Å; M182-Q186 PolarHBondContact O-N 3.49Å |
| 183 | F | 97.9 | Very high | 97.9 | Very high | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.553 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 177.5 | -177 | -92.2 | 0 | 0 | 0 | 111.3 | V179 T180 D181 E185 Q186 E187 | V179-F183 WeakPolarHBondContact O-CB 3.43Å; V179-F183 PolarHBondContact O-N 2.96Å; T180-F183 WeakPolarHBondContact O-CB 3.48Å; T180-F183 PolarHBondContact O-N 3.44Å; T180-F183 VanDerWaalsContact O-N 3.16Å; D181-F183 VanDerWaalsContact C-N 3.32Å; D181-F183 PolarHBondContact O-N 3.46Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 2.91Å; F183-Q186 PolarHBondContact O-N 3.41Å; F183-E187 PolarHBondContact O-N 3.45Å |
| 184 | T | 97.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 177 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | T180 D181 E187 K188 | T180-T184 HydrophobicContact CG2-CG2 4.43Å; T180-T184 WeakPolarHBondContact O-CG2 3.34Å; T180-T184 PolarHBondContact O-N 2.89Å; T180-T184 PolarHBondContact O-OG1 2.95Å; D181-T184 PolarHBondContact O-N 3.41Å; D181-T184 PolarHBondContact O-OG1 3.26Å; T184-E187 PolarHBondContact O-N 3.4Å; T184-K188 WeakPolarHBondContact O-CB 3.43Å; T184-K188 PolarHBondContact O-N 2.99Å |
| 185 | E | 97.9 | Very high | 97.8 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 174.5 | -168.4 | -171.5 | 166.4 | 0 | 0 | 111.5 | D181 M182 F183 K188 K189 | D181-E185 PolarHBondContact O-N 2.88Å; M182-E185 PolarHBondContact O-N 3.19Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 2.91Å; E185-K188 PolarHBondContact O-N 3.24Å; E185-K189 WeakPolarHBondContact O-CG 2.98Å; E185-K189 PolarHBondContact O-N 3.38Å; E185-K189 VanDerWaalsContact OE1-CE 3.24Å; E185-K189 WeakPolarHBondContact OE1-CE 3.33Å; E185-K189 IonicContact OE1-NZ 3.93Å; E185-K189 PolarHBondContact OE1-NZ 3.49Å |
| 186 | Q | 97.6 | Very high | 97.8 | Very high | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 175.2 | -75.8 | -175.2 | -25.6 | 0 | 0 | 112.1 | M182 F183 K188 K189 L190 | M182-Q186 WeakPolarHBondContact O-CG 3.32Å; M182-Q186 PolarHBondContact O-N 3.49Å; F183-Q186 PolarHBondContact O-N 3.41Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 2.69Å; Q186-K189 PolarHBondContact O-N 2.98Å; Q186-L190 WeakPolarHBondContact O-CB 3.43Å; Q186-L190 PolarHBondContact O-N 2.86Å |
| 187 | E | 97.5 | Very high | 97.8 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -43 | 175.6 | -175.8 | 175.2 | -162.7 | 0 | 0 | 111.2 | F183 T184 L190 M191 | F183-E187 PolarHBondContact O-N 3.45Å; T184-E187 PolarHBondContact O-N 3.4Å; E187-L190 PolarHBondContact O-N 3.22Å; E187-M191 PolarHBondContact O-N 3.2Å |
| 188 | K | 97.8 | Very high | 97.7 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.1 | -48.7 | 174.9 | -177.7 | -179.7 | 171.3 | -175.7 | 0 | 112 | T184 E185 Q186 L190 M191 E192 | T184-K188 WeakPolarHBondContact O-CB 3.43Å; T184-K188 PolarHBondContact O-N 2.99Å; E185-K188 PolarHBondContact O-N 3.24Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 2.69Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 2.73Å; K188-M191 PolarHBondContact O-N 3.37Å; K188-E192 WeakPolarHBondContact CE-OE1 3.38Å; K188-E192 IonicContact NZ-OE1 2.75Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.88Å |
| 189 | K | 97.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 104 Ų | 104 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177 | -74.7 | 174.5 | -175.6 | 165.5 | 0 | 111.8 | E185 Q186 E192 N193 | E185-K189 WeakPolarHBondContact O-CG 2.98Å; E185-K189 PolarHBondContact O-N 3.38Å; E185-K189 VanDerWaalsContact OE1-CE 3.24Å; E185-K189 WeakPolarHBondContact OE1-CE 3.33Å; E185-K189 IonicContact OE1-NZ 3.93Å; E185-K189 PolarHBondContact OE1-NZ 3.49Å; Q186-K189 PolarHBondContact O-N 2.98Å; K189-E192 PolarHBondContact O-N 3.3Å; K189-N193 WeakPolarHBondContact O-CB 3.24Å; K189-N193 PolarHBondContact O-N 2.89Å |
| 190 | L | 98.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 104.9 Ų | 104.9 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.6 | -173.8 | 68.1 | 0 | 0 | 0 | 111.2 | Q186 E187 K188 N193 S194 | Q186-L190 WeakPolarHBondContact O-CB 3.43Å; Q186-L190 PolarHBondContact O-N 2.86Å; E187-L190 PolarHBondContact O-N 3.22Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 2.73Å; L190-N193 PolarHBondContact O-N 3.47Å; L190-S194 VanDerWaalsContact O-CB 3.29Å; L190-S194 WeakPolarHBondContact O-CB 3.38Å; L190-S194 PolarHBondContact O-N 2.93Å |
| 191 | M | 97.4 | Very high | 97.5 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 175.4 | -175 | 67.2 | 87.7 | 0 | 0 | 111.1 | E187 K188 N193 S194 T195 | E187-M191 PolarHBondContact O-N 3.2Å; K188-M191 PolarHBondContact O-N 3.37Å; M191-N193 PolarHBondContact O-N 3.38Å; M191-S194 PolarHBondContact O-N 2.9Å; M191-T195 WeakPolarHBondContact O-CG2 3.5Å; M191-T195 PolarHBondContact O-N 3.3Å; M191-T195 PolarHBondContact O-OG1 3.32Å |
| 192 | E | 97.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 176.5 | -73.7 | 173.2 | 177.6 | 0 | 0 | 111.2 | K188 K189 S194 T195 E196 | K188-E192 WeakPolarHBondContact CE-OE1 3.38Å; K188-E192 IonicContact NZ-OE1 2.75Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.88Å; K189-E192 PolarHBondContact O-N 3.3Å; E192-S194 VanDerWaalsContact C-N 3.33Å; E192-S194 PolarHBondContact O-N 3.03Å; E192-T195 PolarHBondContact O-N 3.44Å; E192-T195 PolarHBondContact O-OG1 3.49Å; E192-E196 PolarHBondContact O-N 2.88Å |
| 193 | N | 97.8 | Very high | 97.4 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.6 | -80.2 | -5.7 | 0 | 0 | 0 | 112.7 | K189 L190 M191 E196 F197 | K189-N193 WeakPolarHBondContact O-CB 3.24Å; K189-N193 PolarHBondContact O-N 2.89Å; L190-N193 PolarHBondContact O-N 3.47Å; M191-N193 PolarHBondContact O-N 3.38Å; N193-E196 PolarHBondContact O-N 3.21Å; N193-F197 VanDerWaalsContact O-CB 3.26Å; N193-F197 WeakPolarHBondContact O-CB 3.03Å; N193-F197 PolarHBondContact O-N 3.48Å |
| 194 | S | 97.5 | Very high | 97.4 | Very high | 50 Ų | 50 | 100 Ų | 100 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | L190 M191 E192 E196 F197 H198 | L190-S194 VanDerWaalsContact O-CB 3.29Å; L190-S194 WeakPolarHBondContact O-CB 3.38Å; L190-S194 PolarHBondContact O-N 2.93Å; M191-S194 PolarHBondContact O-N 2.9Å; E192-S194 VanDerWaalsContact C-N 3.33Å; E192-S194 PolarHBondContact O-N 3.03Å; S194-E196 PolarHBondContact O-N 2.93Å; S194-F197 WeakPolarHBondContact O-CB 3.4Å; S194-F197 PolarHBondContact O-N 3.4Å; S194-H198 PolarHBondContact O-CD2 2.89Å; S194-H198 PolarHBondContact O-N 3.31Å |
| 195 | T | 97.2 | Very high | 97.3 | Very high | 84 Ų | 84 | 100.8 Ų | 100.8 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | M191 E192 H198 R199 | M191-T195 WeakPolarHBondContact O-CG2 3.5Å; M191-T195 PolarHBondContact O-N 3.3Å; M191-T195 PolarHBondContact O-OG1 3.32Å; E192-T195 PolarHBondContact O-N 3.44Å; E192-T195 PolarHBondContact O-OG1 3.49Å; T195-H198 PolarHBondContact O-N 2.92Å; T195-R199 WeakPolarHBondContact O-CB 3.41Å; T195-R199 PolarHBondContact O-N 3.42Å |
| 196 | E | 97.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 100.5 Ų | 100.5 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.1 | -166.6 | -169.2 | 160.1 | 0 | 0 | 111.3 | E192 N193 S194 R199 K200 | E192-E196 PolarHBondContact O-N 2.88Å; N193-E196 PolarHBondContact O-N 3.21Å; S194-E196 PolarHBondContact O-N 2.93Å; E196-R199 PolarHBondContact O-N 2.65Å; E196-K200 WeakPolarHBondContact O-CG 3.29Å; E196-K200 PolarHBondContact O-N 2.86Å; E196-K200 WeakPolarHBondContact OE1-CE 3.48Å; E196-K200 IonicContact OE1-NZ 3.06Å; E196-K200 PolarHBondContact OE1-NZ 3.38Å |
| 197 | F | 97.4 | Very high | 97.2 | Very high | 131 Ų | 131 | 99.7 Ų | 99.7 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.8 | -50.2 | 174.7 | 177.3 | -94.1 | 0 | 0 | 0 | 111.2 | N193 S194 R199 K200 N201 | N193-F197 VanDerWaalsContact O-CB 3.26Å; N193-F197 WeakPolarHBondContact O-CB 3.03Å; N193-F197 PolarHBondContact O-N 3.48Å; S194-F197 WeakPolarHBondContact O-CB 3.4Å; S194-F197 PolarHBondContact O-N 3.4Å; F197-R199 VanDerWaalsContact C-N 3.32Å; F197-R199 PolarHBondContact O-N 3.01Å; F197-K200 PolarHBondContact O-N 2.85Å; F197-N201 WeakPolarHBondContact O-CB 3.26Å; F197-N201 PolarHBondContact O-N 3.38Å |
| 198 | H | 96.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 53% | 0.532 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.1 | -74.6 | -58.9 | 0 | 0 | 0 | 112.3 | S194 T195 N201 A202 | S194-H198 PolarHBondContact O-CD2 2.89Å; S194-H198 PolarHBondContact O-N 3.31Å; T195-H198 PolarHBondContact O-N 2.92Å; H198-N201 PolarHBondContact O-N 3.21Å; H198-A202 PolarHBondContact O-N 2.97Å |
| 199 | R | 96.6 | Very high | 97.1 | Very high | 155 Ų | 155 | 95.4 Ų | 95.4 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 175.6 | -169.3 | -172.1 | 77.8 | 85.2 | -2.8 | 111.5 | T195 E196 F197 A202 V203 | T195-R199 WeakPolarHBondContact O-CB 3.41Å; T195-R199 PolarHBondContact O-N 3.42Å; E196-R199 PolarHBondContact O-N 2.65Å; F197-R199 VanDerWaalsContact C-N 3.32Å; F197-R199 PolarHBondContact O-N 3.01Å; R199-A202 PolarHBondContact O-N 3.47Å; R199-V203 WeakPolarHBondContact O-CG2 3.38Å; R199-V203 PolarHBondContact O-N 3.24Å; R199-V203 VanDerWaalsContact O-N 3.09Å |
| 200 | K | 97.2 | Very high | 97 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.3 | -75.7 | -178.9 | -178 | 165.2 | 0 | 111.4 | E196 F197 A202 V203 I204 | E196-K200 WeakPolarHBondContact O-CG 3.29Å; E196-K200 PolarHBondContact O-N 2.86Å; E196-K200 WeakPolarHBondContact OE1-CE 3.48Å; E196-K200 IonicContact OE1-NZ 3.06Å; E196-K200 PolarHBondContact OE1-NZ 3.38Å; F197-K200 PolarHBondContact O-N 2.85Å; K200-A202 VanDerWaalsContact C-N 3.34Å; K200-A202 PolarHBondContact O-N 3.37Å; K200-V203 PolarHBondContact O-N 2.92Å; K200-I204 WeakPolarHBondContact O-CG1 3.45Å; K200-I204 PolarHBondContact O-N 3.09Å |
| 201 | N | 97.1 | Very high | 97 | Very high | 65 Ų | 65 | 92 Ų | 92 | 35% | 0.348 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176.6 | -155.1 | 86.2 | 0 | 0 | 0 | 111.2 | F197 H198 V203 I204 D205 | F197-N201 WeakPolarHBondContact O-CB 3.26Å; F197-N201 PolarHBondContact O-N 3.38Å; H198-N201 PolarHBondContact O-N 3.21Å; N201-V203 VanDerWaalsContact C-N 3.32Å; N201-V203 PolarHBondContact O-N 3.06Å; N201-I204 PolarHBondContact O-N 3.39Å; N201-D205 PolarHBondContact ND2-OD2 3.01Å; N201-D205 WeakPolarHBondContact O-CB 3.44Å; N201-D205 PolarHBondContact O-N 3.46Å |
| 202 | A | 96.6 | Very high | 96.9 | Very high | 59 Ų | 59 | 89.5 Ų | 89.5 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H198 R199 K200 H206 | H198-A202 PolarHBondContact O-N 2.97Å; R199-A202 PolarHBondContact O-N 3.47Å; K200-A202 VanDerWaalsContact C-N 3.34Å; K200-A202 PolarHBondContact O-N 3.37Å; A202-H206 WeakPolarHBondContact O-CB 3.33Å; A202-H206 PolarHBondContact O-N 2.84Å |
| 203 | V | 97.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 90.3 Ų | 90.3 | 37% | 0.37 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 173.6 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | R199 K200 N201 D205 H206 E207 | R199-V203 WeakPolarHBondContact O-CG2 3.38Å; R199-V203 PolarHBondContact O-N 3.24Å; R199-V203 VanDerWaalsContact O-N 3.09Å; K200-V203 PolarHBondContact O-N 2.92Å; N201-V203 VanDerWaalsContact C-N 3.32Å; N201-V203 PolarHBondContact O-N 3.06Å; V203-D205 PolarHBondContact O-N 2.89Å; V203-H206 WeakPolarHBondContact O-CB 3.45Å; V203-H206 PolarHBondContact O-N 2.94Å; V203-E207 HydrophobicContact CG1-CG 4.47Å; V203-E207 WeakPolarHBondContact O-CG 3.24Å; V203-E207 PolarHBondContact O-N 2.93Å |
| 204 | I | 97.2 | Very high | 96.9 | Very high | 94 Ų | 94 | 91.3 Ų | 91.3 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.2 | -67.2 | 170.6 | 0 | 0 | 0 | 110.6 | K200 N201 H206 E207 T208 | K200-I204 WeakPolarHBondContact O-CG1 3.45Å; K200-I204 PolarHBondContact O-N 3.09Å; N201-I204 PolarHBondContact O-N 3.39Å; I204-H206 VanDerWaalsContact C-N 3.28Å; I204-H206 PolarHBondContact O-N 2.89Å; I204-E207 PolarHBondContact O-N 2.83Å; I204-T208 HydrophobicContact CG2-CG2 4.16Å; I204-T208 WeakPolarHBondContact O-CB 3.46Å; I204-T208 VanDerWaalsContact O-CG2 3.24Å; I204-T208 WeakPolarHBondContact O-CG2 3.48Å; I204-T208 PolarHBondContact O-N 3.22Å; I204-T208 PolarHBondContact O-OG1 2.93Å |
| 205 | D | 96.7 | Very high | 96.8 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 177.4 | -68 | -27.5 | 0 | 0 | 0 | 111.5 | N201 V203 T208 M209 | N201-D205 PolarHBondContact ND2-OD2 3.01Å; N201-D205 WeakPolarHBondContact O-CB 3.44Å; N201-D205 PolarHBondContact O-N 3.46Å; V203-D205 PolarHBondContact O-N 2.89Å; D205-T208 VanDerWaalsContact CA-OG1 3.29Å; D205-T208 WeakPolarHBondContact CA-OG1 3.31Å; D205-T208 PolarHBondContact O-OG1 3.37Å; D205-M209 VanDerWaalsContact O-CB 3.31Å; D205-M209 WeakPolarHBondContact O-CB 3.29Å; D205-M209 PolarHBondContact O-N 3.22Å |
| 206 | H | 96.5 | Very high | 96.8 | Very high | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.44 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.2 | -50 | 175 | -179.6 | -88.9 | 0 | 0 | 0 | 112.2 | A202 V203 I204 T208 M209 E210 | A202-H206 WeakPolarHBondContact O-CB 3.33Å; A202-H206 PolarHBondContact O-N 2.84Å; V203-H206 WeakPolarHBondContact O-CB 3.45Å; V203-H206 PolarHBondContact O-N 2.94Å; I204-H206 VanDerWaalsContact C-N 3.28Å; I204-H206 PolarHBondContact O-N 2.89Å; H206-T208 VanDerWaalsContact C-N 3.34Å; H206-T208 PolarHBondContact O-N 2.81Å; H206-M209 PolarHBondContact O-N 3.48Å; H206-E210 IonicContact CE1-OE1 2.84Å; H206-E210 PolarHBondContact CE1-OE1 3.34Å; H206-E210 IonicContact ND1-OE1 3.94Å; H206-E210 IonicContact NE2-OE1 3.34Å; H206-E210 PolarHBondContact O-N 3.19Å |
| 207 | E | 96.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 178.9 | -72.1 | 177 | -177.7 | 0 | 0 | 112.1 | V203 I204 E210 T211 | V203-E207 HydrophobicContact CG1-CG 4.47Å; V203-E207 WeakPolarHBondContact O-CG 3.24Å; V203-E207 PolarHBondContact O-N 2.93Å; I204-E207 PolarHBondContact O-N 2.83Å; E207-E210 PolarHBondContact O-N 2.86Å; E207-T211 WeakPolarHBondContact O-CG2 3.43Å; E207-T211 PolarHBondContact O-N 2.94Å; E207-T211 PolarHBondContact O-OG1 3Å |
| 208 | T | 96.7 | Very high | 96.7 | Very high | 65 Ų | 65 | 96.1 Ų | 96.1 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | I204 D205 H206 E210 T211 T212 | I204-T208 HydrophobicContact CG2-CG2 4.16Å; I204-T208 WeakPolarHBondContact O-CB 3.46Å; I204-T208 VanDerWaalsContact O-CG2 3.24Å; I204-T208 WeakPolarHBondContact O-CG2 3.48Å; I204-T208 PolarHBondContact O-N 3.22Å; I204-T208 PolarHBondContact O-OG1 2.93Å; D205-T208 VanDerWaalsContact CA-OG1 3.29Å; D205-T208 WeakPolarHBondContact CA-OG1 3.31Å; D205-T208 PolarHBondContact O-OG1 3.37Å; H206-T208 VanDerWaalsContact C-N 3.34Å; H206-T208 PolarHBondContact O-N 2.81Å; T208-E210 PolarHBondContact O-N 3.28Å; T208-T211 WeakPolarHBondContact CA-OG1 3.32Å; T208-T211 PolarHBondContact O-N 3.38Å; T208-T211 PolarHBondContact O-OG1 3.4Å; T208-T212 WeakPolarHBondContact O-CB 3.36Å; T208-T212 PolarHBondContact O-N 2.98Å; T208-T212 PolarHBondContact O-OG1 2.81Å |
| 209 | M | 96.5 | Very high | 96.7 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.9 | -179.7 | 176.9 | 56.1 | 0 | 0 | 112.5 | D205 H206 K213 | D205-M209 VanDerWaalsContact O-CB 3.31Å; D205-M209 WeakPolarHBondContact O-CB 3.29Å; D205-M209 PolarHBondContact O-N 3.22Å; H206-M209 PolarHBondContact O-N 3.48Å; M209-K213 HydrophobicContact CG-CD 4.35Å; M209-K213 VanDerWaalsContact O-CG 3.32Å; M209-K213 WeakPolarHBondContact O-CG 3.36Å; M209-K213 PolarHBondContact O-N 2.87Å |
| 210 | E | 96.1 | Very high | 96.6 | Very high | 88 Ų | 88 | 89.8 Ų | 89.8 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.5 | -74.5 | -165.7 | 156.2 | 0 | 0 | 112.4 | H206 E207 T208 K213 K214 | H206-E210 IonicContact CE1-OE1 2.84Å; H206-E210 PolarHBondContact CE1-OE1 3.34Å; H206-E210 IonicContact ND1-OE1 3.94Å; H206-E210 IonicContact NE2-OE1 3.34Å; H206-E210 PolarHBondContact O-N 3.19Å; E207-E210 PolarHBondContact O-N 2.86Å; T208-E210 PolarHBondContact O-N 3.28Å; E210-K213 PolarHBondContact O-N 3.27Å; E210-K214 WeakPolarHBondContact O-CG 3.47Å; E210-K214 PolarHBondContact O-N 3.38Å |
| 211 | T | 96.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 88.1 Ų | 88.1 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | E207 T208 K213 K214 I215 | E207-T211 WeakPolarHBondContact O-CG2 3.43Å; E207-T211 PolarHBondContact O-N 2.94Å; E207-T211 PolarHBondContact O-OG1 3Å; T208-T211 WeakPolarHBondContact CA-OG1 3.32Å; T208-T211 PolarHBondContact O-N 3.38Å; T208-T211 PolarHBondContact O-OG1 3.4Å; T211-K213 PolarHBondContact O-N 3.23Å; T211-K214 PolarHBondContact O-N 3.41Å; T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.39Å; T211-I215 PolarHBondContact O-N 2.9Å |
| 212 | T | 96.5 | Very high | 96.5 | Very high | 74 Ų | 74 | 90.5 Ų | 90.5 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 172.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | T208 K214 I215 D216 | T208-T212 WeakPolarHBondContact O-CB 3.36Å; T208-T212 PolarHBondContact O-N 2.98Å; T208-T212 PolarHBondContact O-OG1 2.81Å; T212-K214 VanDerWaalsContact C-N 3.34Å; T212-K214 PolarHBondContact O-N 3.46Å; T212-I215 PolarHBondContact O-N 3.04Å; T212-D216 PolarHBondContact O-N 3.4Å |
| 213 | K | 96.7 | Very high | 96.4 | Very high | 115 Ų | 115 | 93.8 Ų | 93.8 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 176.4 | -75.3 | 173.7 | -177.9 | 173 | 0 | 112.7 | M209 E210 T211 D216 L217 | M209-K213 HydrophobicContact CG-CD 4.35Å; M209-K213 VanDerWaalsContact O-CG 3.32Å; M209-K213 WeakPolarHBondContact O-CG 3.36Å; M209-K213 PolarHBondContact O-N 2.87Å; E210-K213 PolarHBondContact O-N 3.27Å; T211-K213 PolarHBondContact O-N 3.23Å; K213-D216 PolarHBondContact O-N 3.02Å; K213-L217 WeakPolarHBondContact O-CG 3.28Å; K213-L217 PolarHBondContact O-N 2.96Å |
| 214 | K | 96.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.1 | -73.7 | 174.6 | -177.6 | 170.6 | 0 | 111.2 | E210 T211 T212 D216 L217 E218 | E210-K214 WeakPolarHBondContact O-CG 3.47Å; E210-K214 PolarHBondContact O-N 3.38Å; T211-K214 PolarHBondContact O-N 3.41Å; T212-K214 VanDerWaalsContact C-N 3.34Å; T212-K214 PolarHBondContact O-N 3.46Å; K214-D216 VanDerWaalsContact C-N 3.33Å; K214-D216 PolarHBondContact O-N 2.93Å; K214-L217 PolarHBondContact O-N 2.86Å; K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.38Å |
| 215 | I | 96.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.1 | -67.6 | 165.6 | 0 | 0 | 0 | 110.2 | T211 T212 L217 E218 V219 | T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.39Å; T211-I215 PolarHBondContact O-N 2.9Å; T212-I215 PolarHBondContact O-N 3.04Å; I215-L217 VanDerWaalsContact C-N 3.34Å; I215-L217 PolarHBondContact O-N 3.34Å; I215-E218 PolarHBondContact O-N 3.21Å; I215-V219 HydrophobicContact CG2-CG2 4.18Å; I215-V219 WeakPolarHBondContact O-CB 3.29Å; I215-V219 VanDerWaalsContact O-CG2 3.24Å; I215-V219 WeakPolarHBondContact O-CG2 3.32Å; I215-V219 PolarHBondContact O-N 3.49Å |
| 216 | D | 96.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 95.1 Ų | 95.1 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 179.1 | -71.9 | -26.8 | 0 | 0 | 0 | 112.5 | T212 K213 K214 V219 A220 | T212-D216 PolarHBondContact O-N 3.4Å; K213-D216 PolarHBondContact O-N 3.02Å; K214-D216 VanDerWaalsContact C-N 3.33Å; K214-D216 PolarHBondContact O-N 2.93Å; D216-V219 PolarHBondContact O-N 2.84Å; D216-A220 WeakPolarHBondContact O-CB 3.35Å; D216-A220 PolarHBondContact O-N 3.26Å |
| 217 | L | 96.5 | Very high | 96 | Very high | 124 Ų | 124 | 95.4 Ų | 95.4 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 175.6 | -72.3 | 174.1 | 0 | 0 | 0 | 112.1 | K213 K214 I215 A220 S221 | K213-L217 WeakPolarHBondContact O-CG 3.28Å; K213-L217 PolarHBondContact O-N 2.96Å; K214-L217 PolarHBondContact O-N 2.86Å; I215-L217 VanDerWaalsContact C-N 3.34Å; I215-L217 PolarHBondContact O-N 3.34Å; L217-A220 PolarHBondContact O-N 3.4Å; L217-S221 VanDerWaalsContact O-CB 3.28Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 3.45Å |
| 218 | E | 96.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 93.2 Ų | 93.2 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 176.2 | -74 | -179.1 | -173.7 | 0 | 0 | 111.5 | K214 I215 S221 L222 | K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.38Å; I215-E218 PolarHBondContact O-N 3.21Å; E218-S221 PolarHBondContact O-N 2.82Å; E218-L222 WeakPolarHBondContact O-CB 3.41Å; E218-L222 VanDerWaalsContact O-CG 3.29Å; E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 2.93Å |
| 219 | V | 96.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 175.4 | 169.1 | 0 | 0 | 0 | 0 | 111 | I215 D216 K223 | I215-V219 HydrophobicContact CG2-CG2 4.18Å; I215-V219 WeakPolarHBondContact O-CB 3.29Å; I215-V219 VanDerWaalsContact O-CG2 3.24Å; I215-V219 WeakPolarHBondContact O-CG2 3.32Å; I215-V219 PolarHBondContact O-N 3.49Å; D216-V219 PolarHBondContact O-N 2.84Å; V219-K223 VanDerWaalsContact O-CB 3.31Å; V219-K223 WeakPolarHBondContact O-CB 3.4Å; V219-K223 PolarHBondContact O-N 3.42Å |
| 220 | A | 94.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 96.2 Ų | 96.2 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D216 L217 K223 T224 | D216-A220 WeakPolarHBondContact O-CB 3.35Å; D216-A220 PolarHBondContact O-N 3.26Å; L217-A220 PolarHBondContact O-N 3.4Å; A220-K223 WeakPolarHBondContact O-CB 3.47Å; A220-K223 PolarHBondContact O-N 2.96Å; A220-T224 WeakPolarHBondContact O-CG2 3.31Å; A220-T224 PolarHBondContact O-N 3.12Å |
| 221 | S | 95.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -51.9 | 176.5 | -180 | 0 | 0 | 0 | 0 | 111.7 | L217 E218 K223 T224 L225 | L217-S221 VanDerWaalsContact O-CB 3.28Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 3.45Å; E218-S221 PolarHBondContact O-N 2.82Å; S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 2.69Å; S221-T224 PolarHBondContact O-N 3.27Å; S221-T224 VanDerWaalsContact O-N 3.12Å; S221-T224 PolarHBondContact O-OG1 2.88Å; S221-L225 PolarHBondContact O-N 2.9Å |
| 222 | L | 95.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.8 | -39 | 176.7 | -74.2 | 174 | 0 | 0 | 0 | 112 | E218 L225 L226 | E218-L222 WeakPolarHBondContact O-CB 3.41Å; E218-L222 VanDerWaalsContact O-CG 3.29Å; E218-L222 WeakPolarHBondContact O-CG 3.24Å; E218-L222 PolarHBondContact O-N 2.93Å; L222-L225 PolarHBondContact O-N 3.33Å; L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 PolarHBondContact O-N 3.5Å |
| 223 | K | 95.7 | Very high | 95.1 | Very high | 128 Ų | 128 | 99.2 Ų | 99.2 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.4 | -172.8 | 178.5 | 179.4 | -177 | 0 | 111.9 | V219 A220 S221 L225 L226 E227 | V219-K223 VanDerWaalsContact O-CB 3.31Å; V219-K223 WeakPolarHBondContact O-CB 3.4Å; V219-K223 PolarHBondContact O-N 3.42Å; A220-K223 WeakPolarHBondContact O-CB 3.47Å; A220-K223 PolarHBondContact O-N 2.96Å; S221-K223 VanDerWaalsContact C-N 3.27Å; S221-K223 PolarHBondContact O-N 2.69Å; K223-L225 PolarHBondContact O-N 3.48Å; K223-L226 PolarHBondContact O-N 2.95Å; K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 3.31Å |
| 224 | T | 94.7 | Very high | 94.9 | Very high | 85 Ų | 85 | 99 Ų | 99 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | A220 S221 E227 S228 | A220-T224 WeakPolarHBondContact O-CG2 3.31Å; A220-T224 PolarHBondContact O-N 3.12Å; S221-T224 PolarHBondContact O-N 3.27Å; S221-T224 VanDerWaalsContact O-N 3.12Å; S221-T224 PolarHBondContact O-OG1 2.88Å; T224-E227 PolarHBondContact O-N 3.31Å; T224-S228 PolarHBondContact O-N 2.91Å; T224-S228 PolarHBondContact O-OG 2.94Å |
| 225 | L | 94.8 | Very high | 94.5 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176 | -168.7 | 160.3 | 0 | 0 | 0 | 111 | S221 L222 K223 S228 L229 | S221-L225 PolarHBondContact O-N 2.9Å; L222-L225 PolarHBondContact O-N 3.33Å; K223-L225 PolarHBondContact O-N 3.48Å; L225-S228 WeakPolarHBondContact CA-OG 3.47Å; L225-S228 PolarHBondContact O-N 3.31Å; L225-S228 PolarHBondContact O-OG 2.91Å; L225-L229 HydrophobicContact CD2-CD1 3.45Å; L225-L229 VanDerWaalsContact CD2-CD1 3.45Å; L225-L229 HydrophobicContact CD2-CG 3.93Å; L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 2.85Å |
| 226 | L | 94.3 | Very high | 94.3 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 175.5 | -172.3 | 119.7 | 0 | 0 | 0 | 111.7 | L222 K223 K230 | L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.41Å; L222-L226 PolarHBondContact O-N 3.5Å; K223-L226 PolarHBondContact O-N 2.95Å; L226-K230 HydrophobicContact CD2-CD 4.34Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 WeakPolarHBondContact O-CG 3.37Å; L226-K230 PolarHBondContact O-N 3.48Å |
| 227 | E | 94.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 105.6 Ų | 105.6 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 175 | -75 | 174.8 | -170.8 | 0 | 0 | 111.8 | K223 T224 K230 L231 | K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 WeakPolarHBondContact O-CG 3.3Å; K223-E227 PolarHBondContact O-N 3.31Å; T224-E227 PolarHBondContact O-N 3.31Å; E227-K230 WeakPolarHBondContact O-CB 3.47Å; E227-K230 PolarHBondContact O-N 2.9Å; E227-L231 WeakPolarHBondContact O-CG 3.22Å; E227-L231 PolarHBondContact O-N 3.07Å; E227-L231 VanDerWaalsContact O-N 3.07Å |
| 228 | S | 92.4 | Very high | 93.9 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.3 | 67 | 0 | 0 | 0 | 0 | 112.4 | T224 L225 K230 L231 E232 | T224-S228 PolarHBondContact O-N 2.91Å; T224-S228 PolarHBondContact O-OG 2.94Å; L225-S228 WeakPolarHBondContact CA-OG 3.47Å; L225-S228 PolarHBondContact O-N 3.31Å; L225-S228 PolarHBondContact O-OG 2.91Å; S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 2.98Å; S228-L231 PolarHBondContact O-N 2.98Å; S228-E232 WeakPolarHBondContact O-CB 3.47Å; S228-E232 PolarHBondContact O-N 3.36Å |
| 229 | L | 94 | Very high | 93.6 | Very high | 88 Ų | 88 | 98.3 Ų | 98.3 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 176.1 | -77.2 | 179.9 | 0 | 0 | 0 | 112.1 | L225 E232 T233 | L225-L229 HydrophobicContact CD2-CD1 3.45Å; L225-L229 VanDerWaalsContact CD2-CD1 3.45Å; L225-L229 HydrophobicContact CD2-CG 3.93Å; L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 2.85Å; L229-E232 PolarHBondContact O-N 2.99Å; L229-T233 WeakPolarHBondContact O-CB 3.43Å; L229-T233 PolarHBondContact O-N 2.77Å; L229-T233 PolarHBondContact O-OG1 3.46Å |
| 230 | K | 94.7 | Very high | 93.3 | Very high | 129 Ų | 129 | 97 Ų | 97 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | 172.2 | -83 | -178.1 | 168.7 | -178.1 | 0 | 111.6 | L226 E227 S228 E232 T233 I234 | L226-K230 HydrophobicContact CD2-CD 4.34Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 WeakPolarHBondContact O-CG 3.37Å; L226-K230 PolarHBondContact O-N 3.48Å; E227-K230 WeakPolarHBondContact O-CB 3.47Å; E227-K230 PolarHBondContact O-N 2.9Å; S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 2.98Å; K230-E232 VanDerWaalsContact C-N 3.33Å; K230-E232 PolarHBondContact O-N 2.89Å; K230-T233 PolarHBondContact O-N 3.39Å; K230-I234 VanDerWaalsContact O-CG1 3.28Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.2Å |
| 231 | L | 93.1 | Very high | 93.1 | Very high | 123 Ų | 123 | 98.2 Ų | 98.2 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 178.2 | -69.7 | 174.9 | 0 | 0 | 0 | 112 | E227 S228 I234 R235 | E227-L231 WeakPolarHBondContact O-CG 3.22Å; E227-L231 PolarHBondContact O-N 3.07Å; E227-L231 VanDerWaalsContact O-N 3.07Å; S228-L231 PolarHBondContact O-N 2.98Å; L231-I234 PolarHBondContact O-N 3.36Å; L231-R235 PolarHBondContact O-N 3.42Å |
| 232 | E | 93.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 101.8 Ų | 101.8 | 42% | 0.416 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 176.8 | -169.3 | 179.8 | -175.3 | 0 | 0 | 111.5 | S228 L229 K230 I234 R235 Y236 | S228-E232 WeakPolarHBondContact O-CB 3.47Å; S228-E232 PolarHBondContact O-N 3.36Å; L229-E232 PolarHBondContact O-N 2.99Å; K230-E232 VanDerWaalsContact C-N 3.33Å; K230-E232 PolarHBondContact O-N 2.89Å; E232-I234 PolarHBondContact O-N 3.14Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.45Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-Y236 HydrophobicContact CG-CD2 3.79Å; E232-Y236 HydrophobicContact CG-CE2 3.41Å; E232-Y236 VanDerWaalsContact CG-CE2 3.41Å; E232-Y236 VanDerWaalsContact O-CD2 3.28Å; E232-Y236 WeakPolarHBondContact O-CD2 3.42Å; E232-Y236 PolarHBondContact O-N 2.89Å; E232-Y236 VanDerWaalsContact OE1-CE2 3.22Å; E232-Y236 WeakPolarHBondContact OE1-CE2 3.38Å; E232-Y236 PolarHBondContact OE1-OH 3.24Å |
| 233 | T | 91.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | L229 K230 R235 Y236 L237 | L229-T233 WeakPolarHBondContact O-CB 3.43Å; L229-T233 PolarHBondContact O-N 2.77Å; L229-T233 PolarHBondContact O-OG1 3.46Å; K230-T233 PolarHBondContact O-N 3.39Å; T233-R235 VanDerWaalsContact C-N 3.3Å; T233-R235 PolarHBondContact O-N 2.96Å; T233-Y236 PolarHBondContact O-N 2.92Å; T233-L237 WeakPolarHBondContact O-CB 3.46Å; T233-L237 PolarHBondContact O-N 3.41Å |
| 234 | I | 92.8 | Very high | 92 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 57% | 0.569 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | 175.5 | -69.8 | 165.4 | 0 | 0 | 0 | 110.5 | K230 L231 E232 L237 A238 | K230-I234 VanDerWaalsContact O-CG1 3.28Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.2Å; L231-I234 PolarHBondContact O-N 3.36Å; E232-I234 PolarHBondContact O-N 3.14Å; I234-L237 PolarHBondContact O-N 2.96Å; I234-A238 WeakPolarHBondContact O-CB 3.5Å; I234-A238 PolarHBondContact O-N 3.43Å |
| 235 | R | 89.4 | Confident | 91.6 | Very high | 201 Ų | 201 | 97.1 Ų | 97.1 | 76% | 0.758 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 178 | -176.8 | -179.8 | 172.5 | 176.7 | -2.6 | 112.4 | L231 E232 T233 A238 A239 | L231-R235 PolarHBondContact O-N 3.42Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.45Å; E232-R235 VanDerWaalsContact O-N 3.14Å; T233-R235 VanDerWaalsContact C-N 3.3Å; T233-R235 PolarHBondContact O-N 2.96Å; R235-A238 PolarHBondContact O-N 3.35Å; R235-A239 WeakPolarHBondContact O-CB 3.28Å; R235-A239 PolarHBondContact O-N 3.33Å |
| 236 | Y | 92.9 | Very high | 91.2 | Very high | 155 Ų | 155 | 95.9 Ų | 95.9 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 176 | -78.4 | -61.8 | 0 | 0 | 0 | 112.2 | E232 T233 A239 S240 | E232-Y236 HydrophobicContact CG-CD2 3.79Å; E232-Y236 HydrophobicContact CG-CE2 3.41Å; E232-Y236 VanDerWaalsContact CG-CE2 3.41Å; E232-Y236 VanDerWaalsContact O-CD2 3.28Å; E232-Y236 WeakPolarHBondContact O-CD2 3.42Å; E232-Y236 PolarHBondContact O-N 2.89Å; E232-Y236 VanDerWaalsContact OE1-CE2 3.22Å; E232-Y236 WeakPolarHBondContact OE1-CE2 3.38Å; E232-Y236 PolarHBondContact OE1-OH 3.24Å; T233-Y236 PolarHBondContact O-N 2.92Å; Y236-A239 PolarHBondContact O-N 2.88Å; Y236-S240 PolarHBondContact O-N 3.3Å; Y236-S240 PolarHBondContact O-OG 3.38Å |
| 237 | L | 91.6 | Very high | 90.7 | Very high | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.5 | -115.8 | 169.6 | 0 | 0 | 0 | 111.5 | T233 I234 A239 S240 V241 | T233-L237 WeakPolarHBondContact O-CB 3.46Å; T233-L237 PolarHBondContact O-N 3.41Å; I234-L237 PolarHBondContact O-N 2.96Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 2.88Å; L237-S240 PolarHBondContact O-N 2.97Å; L237-S240 PolarHBondContact O-OG 3.03Å; L237-V241 HydrophobicContact CD2-CG2 4.45Å; L237-V241 VanDerWaalsContact O-CG2 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.35Å; L237-V241 PolarHBondContact O-N 2.93Å |
| 238 | A | 91.6 | Very high | 90.2 | Very high | 42 Ų | 42 | 93.9 Ų | 93.9 | 35% | 0.347 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I234 R235 S240 V241 F242 | I234-A238 WeakPolarHBondContact O-CB 3.5Å; I234-A238 PolarHBondContact O-N 3.43Å; R235-A238 PolarHBondContact O-N 3.35Å; A238-S240 PolarHBondContact O-N 3.42Å; A238-V241 PolarHBondContact O-N 3.39Å; A238-F242 HydrophobicContact CB-CE2 4.49Å; A238-F242 WeakPolarHBondContact O-CD2 3.31Å; A238-F242 PolarHBondContact O-N 3.4Å |
| 239 | A | 90.9 | Very high | 89.7 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R235 Y236 L237 F242 A243 | R235-A239 WeakPolarHBondContact O-CB 3.28Å; R235-A239 PolarHBondContact O-N 3.33Å; Y236-A239 PolarHBondContact O-N 2.88Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 2.88Å; A239-F242 PolarHBondContact O-N 2.89Å; A239-A243 WeakPolarHBondContact O-CB 3.05Å; A239-A243 PolarHBondContact O-N 3.48Å |
| 240 | S | 90.4 | Very high | 89.1 | Confident | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 178.6 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | Y236 L237 A238 A243 C244 | Y236-S240 PolarHBondContact O-N 3.3Å; Y236-S240 PolarHBondContact O-OG 3.38Å; L237-S240 PolarHBondContact O-N 2.97Å; L237-S240 PolarHBondContact O-OG 3.03Å; A238-S240 PolarHBondContact O-N 3.42Å; S240-A243 PolarHBondContact O-N 3.46Å; S240-C244 WeakPolarHBondContact O-CB 3.28Å; S240-C244 PolarHBondContact O-N 3.36Å; S240-C244 PolarHBondContact O-SG 2.91Å; S240-C244 VanDerWaalsContact O-SG 3.39Å |
| 241 | V | 90.8 | Very high | 88.4 | Confident | 77 Ų | 77 | 94.9 Ų | 94.9 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 173.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | L237 A238 A243 C244 L245 | L237-V241 HydrophobicContact CD2-CG2 4.45Å; L237-V241 VanDerWaalsContact O-CG2 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.35Å; L237-V241 PolarHBondContact O-N 2.93Å; A238-V241 PolarHBondContact O-N 3.39Å; V241-A243 PolarHBondContact O-N 3.29Å; V241-C244 PolarHBondContact O-N 2.86Å; V241-L245 HydrophobicContact CG1-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CB 3.39Å; V241-L245 VanDerWaalsContact O-CG 3.31Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 3.45Å |
| 242 | F | 90.2 | Very high | 87.6 | Confident | 144 Ų | 144 | 97.3 Ų | 97.3 | 63% | 0.632 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 175.2 | -80.1 | -63.9 | 0 | 0 | 0 | 112.5 | A238 A239 L245 A246 | A238-F242 HydrophobicContact CB-CE2 4.49Å; A238-F242 WeakPolarHBondContact O-CD2 3.31Å; A238-F242 PolarHBondContact O-N 3.4Å; A239-F242 PolarHBondContact O-N 2.89Å; F242-L245 PolarHBondContact O-N 3.23Å; F242-A246 WeakPolarHBondContact O-CB 3.47Å; F242-A246 PolarHBondContact O-N 3.46Å |
| 243 | A | 88.1 | Confident | 86.6 | Confident | 48 Ų | 48 | 103.1 Ų | 103.1 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A239 S240 V241 L245 A246 I247 | A239-A243 WeakPolarHBondContact O-CB 3.05Å; A239-A243 PolarHBondContact O-N 3.48Å; S240-A243 PolarHBondContact O-N 3.46Å; V241-A243 PolarHBondContact O-N 3.29Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 2.87Å; A243-A246 PolarHBondContact O-N 3.41Å; A243-I247 VanDerWaalsContact O-CG1 3.28Å; A243-I247 WeakPolarHBondContact O-CG1 3.38Å; A243-I247 PolarHBondContact O-N 3.39Å |
| 244 | C | 85.5 | Confident | 85.3 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 57% | 0.568 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -42.9 | 174.6 | -75.3 | 0 | 0 | 0 | 0 | 112 | S240 V241 I247 A248 | S240-C244 WeakPolarHBondContact O-CB 3.28Å; S240-C244 PolarHBondContact O-N 3.36Å; S240-C244 PolarHBondContact O-SG 2.91Å; S240-C244 VanDerWaalsContact O-SG 3.39Å; V241-C244 PolarHBondContact O-N 2.86Å; C244-I247 PolarHBondContact O-N 3.06Å; C244-A248 WeakPolarHBondContact O-CB 3.45Å; C244-A248 PolarHBondContact O-N 3.44Å |
| 245 | L | 86.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 174.7 | -72.1 | 171.3 | 0 | 0 | 0 | 111.8 | V241 F242 A243 A248 L249 | V241-L245 HydrophobicContact CG1-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CB 3.39Å; V241-L245 VanDerWaalsContact O-CG 3.31Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 3.45Å; F242-L245 PolarHBondContact O-N 3.23Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 2.87Å; L245-A248 PolarHBondContact O-N 2.87Å; L245-L249 WeakPolarHBondContact O-CB 3.39Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.38Å; L245-L249 PolarHBondContact O-N 3.35Å |
| 246 | A | 85.8 | Confident | 82 | Confident | 62 Ų | 62 | 113.8 Ų | 113.8 | 51% | 0.512 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F242 A243 G250 | F242-A246 WeakPolarHBondContact O-CB 3.47Å; F242-A246 PolarHBondContact O-N 3.46Å; A243-A246 PolarHBondContact O-N 3.41Å; A246-G250 PolarHBondContact O-N 2.85Å |
| 247 | I | 85 | Confident | 81.4 | Confident | 100 Ų | 100 | 111.7 Ų | 111.7 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -46.5 | 174.9 | -66.8 | 166.4 | 0 | 0 | 0 | 110.5 | A243 C244 L249 G250 F251 | A243-I247 VanDerWaalsContact O-CG1 3.28Å; A243-I247 WeakPolarHBondContact O-CG1 3.38Å; A243-I247 PolarHBondContact O-N 3.39Å; C244-I247 PolarHBondContact O-N 3.06Å; I247-L249 VanDerWaalsContact C-N 3.34Å; I247-L249 PolarHBondContact O-N 2.87Å; I247-G250 CarbonylContact O-C 3.56Å; I247-G250 WeakPolarHBondContact O-CA 3.34Å; I247-G250 PolarHBondContact O-N 3.39Å; I247-F251 HydrophobicContact CG2-CD2 3.65Å; I247-F251 HydrophobicContact CG2-CE2 3.62Å; I247-F251 WeakPolarHBondContact O-CD2 3.31Å; I247-F251 PolarHBondContact O-N 2.89Å |
| 248 | A | 83 | Confident | 80.9 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C244 L245 G250 F251 Y252 | C244-A248 WeakPolarHBondContact O-CB 3.45Å; C244-A248 PolarHBondContact O-N 3.44Å; L245-A248 PolarHBondContact O-N 2.87Å; A248-G250 VanDerWaalsContact C-N 3.33Å; A248-F251 PolarHBondContact O-N 3.12Å; A248-Y252 WeakPolarHBondContact O-CB 3.39Å; A248-Y252 PolarHBondContact O-N 3.29Å |
| 249 | L | 81 | Confident | 80.3 | Confident | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 172.1 | -72.5 | 172.1 | 0 | 0 | 0 | 112 | L245 I247 R253 | L245-L249 WeakPolarHBondContact O-CB 3.39Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.38Å; L245-L249 PolarHBondContact O-N 3.35Å; I247-L249 VanDerWaalsContact C-N 3.34Å; I247-L249 PolarHBondContact O-N 2.87Å; L249-R253 WeakPolarHBondContact O-CB 3.34Å; L249-R253 PolarHBondContact O-N 3.28Å |
| 250 | G | 81.4 | Confident | 79.7 | Confident | 34 Ų | 34 | 119.6 Ų | 119.6 | 35% | 0.351 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -47.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A246 I247 A248 R253 L254 | A246-G250 PolarHBondContact O-N 2.85Å; I247-G250 CarbonylContact O-C 3.56Å; I247-G250 WeakPolarHBondContact O-CA 3.34Å; I247-G250 PolarHBondContact O-N 3.39Å; A248-G250 VanDerWaalsContact C-N 3.33Å; G250-R253 PolarHBondContact O-N 3.02Å; G250-L254 PolarHBondContact O-N 3.13Å |
| 251 | F | 79.9 | Confident | 79 | Confident | 148 Ų | 148 | 123.4 Ų | 123.4 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 174.9 | -85.5 | -75.4 | 0 | 0 | 0 | 112.6 | I247 A248 R253 L254 W255 | I247-F251 HydrophobicContact CG2-CD2 3.65Å; I247-F251 HydrophobicContact CG2-CE2 3.62Å; I247-F251 WeakPolarHBondContact O-CD2 3.31Å; I247-F251 PolarHBondContact O-N 2.89Å; A248-F251 PolarHBondContact O-N 3.12Å; F251-R253 PolarHBondContact O-N 2.87Å; F251-L254 PolarHBondContact O-N 3.39Å; F251-L254 VanDerWaalsContact O-N 3.12Å; F251-W255 PolarHBondContact O-N 3.2Å; F251-W255 VanDerWaalsContact O-N 3.13Å |
| 252 | Y | 78.3 | Confident | 78.2 | Confident | 174 Ų | 174 | 126.5 Ų | 126.5 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.6 | -33.6 | 174.6 | -176.8 | -100.2 | 0 | 0 | 0 | 112 | A248 | A248-Y252 WeakPolarHBondContact O-CB 3.39Å; A248-Y252 PolarHBondContact O-N 3.29Å |
| 253 | R | 71.1 | Confident | 77.4 | Confident | 210 Ų | 210 | 125.3 Ų | 125.3 | 79% | 0.792 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.2 | -26 | 176.7 | -167.1 | 174.6 | -177.3 | 159.7 | 1.1 | 113.8 | L249 G250 F251 | L249-R253 WeakPolarHBondContact O-CB 3.34Å; L249-R253 PolarHBondContact O-N 3.28Å; G250-R253 PolarHBondContact O-N 3.02Å; F251-R253 PolarHBondContact O-N 2.87Å |
| 254 | L | 65.8 | Low | 76.6 | Confident | 148 Ų | 148 | 131.2 Ų | 131.2 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.8 | -17.9 | 176.1 | -90.3 | 155.8 | 0 | 0 | 0 | 113.5 | G250 F251 | G250-L254 PolarHBondContact O-N 3.13Å; F251-L254 PolarHBondContact O-N 3.39Å; F251-L254 VanDerWaalsContact O-N 3.12Å |
| 255 | W | 62.4 | Low | 75.8 | Confident | 243 Ų | 243 | 135.2 Ų | 135.2 | 92% | 0.92 | 65% | 0.65 | S | S | * | * | trans | -94.6 | 6 | 177.4 | -155.1 | -81.7 | 0 | 0 | 0 | 113.4 | F251 | F251-W255 PolarHBondContact O-N 3.2Å; F251-W255 VanDerWaalsContact O-N 3.13Å | ||
| 256 | K | 49.2 | Very low | 74.8 | Confident | 230 Ų | 230 | 138.7 Ų | 138.7 | 100% | 1 | 66% | 0.663 | S | S | * | * | trans | -109 | 0 | 172.3 | -175.1 | 173.8 | -175.9 | 168.9 | 0 | 109.8 |
Retrieved 256 of 256 residues in 1136.1 ms
(Link to these results)