| 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 | 37 | Very low | 38.1 | Very low | 250 Ų | 250 | 138.4 Ų | 138.4 | 100% | 1.232 | 85% | 0.848 | S | S | * | * | 0 | 111.8 | 0 | -59.4 | -177.1 | -163 | 0 | 0 | 106 | |||||
| 2 | A | 40.7 | Very low | 38.1 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | cis | -146.5 | 140.7 | 1.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | D | 34.5 | Very low | 37.9 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -59.3 | 134.5 | 162.2 | -76.4 | -51.4 | 0 | 0 | 0 | 109.9 | ||||
| 4 | G | 36.8 | Very low | 37.7 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | -132.7 | 122.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | A6 | G4-A6 PolarHBondContact O-N 3.33Š| ||
| 5 | P | 40.8 | Very low | 37.7 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 127.4 | -175.9 | 29.3 | -30.8 | 0 | 0 | 0 | 109.3 | A7 | P5-A7 PolarHBondContact O-N 3.43Š|
| 6 | A | 40 | Very low | 37.6 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 123.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | G4 D8 | G4-A6 PolarHBondContact O-N 3.33Å; A6-D8 PolarHBondContact O-N 3.24Å |
| 7 | A | 38.4 | Very low | 37.4 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | P5 V9 | P5-A7 PolarHBondContact O-N 3.43Å; A7-V9 PolarHBondContact O-N 3.26Å; A7-V9 VanDerWaalsContact O-N 3.07Å |
| 8 | D | 35.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -56.9 | 107.5 | 162.1 | -81.2 | -41.6 | 0 | 0 | 0 | 108.3 | A6 D10 | A6-D8 PolarHBondContact O-N 3.24Å; D8-D10 VanDerWaalsContact C-N 3.34Å; D8-D10 PolarHBondContact O-N 3.07Å | ||
| 9 | V | 40.3 | Very low | 37.3 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -82.1 | 93.5 | 161.7 | -177 | 0 | 0 | 0 | 0 | 105.4 | A7 E11 | A7-V9 PolarHBondContact O-N 3.26Å; A7-V9 VanDerWaalsContact O-N 3.07Å; V9-E11 PolarHBondContact O-N 3.13Å | ||
| 10 | D | 35.8 | Very low | 37.2 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -63.7 | 94.2 | 174.1 | -145.5 | 7.2 | 0 | 0 | 0 | 108.1 | D8 | D8-D10 VanDerWaalsContact C-N 3.34Å; D8-D10 PolarHBondContact O-N 3.07Å | ||
| 11 | E | 39.4 | Very low | 37.3 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 125.5 | 168.7 | -105.9 | -175.6 | 164.3 | 0 | 0 | 107.9 | V9 | V9-E11 PolarHBondContact O-N 3.13Š|
| 12 | P | 37.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 143.2 | 179.2 | 26 | -32.8 | 0 | 0 | 0 | 109.6 | S14 | P12-S14 PolarHBondContact O-N 2.95Å; P12-S14 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 35.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.7 | -177.5 | 22.3 | -32.2 | 0 | 0 | 0 | 109.7 | I15 | P13-I15 PolarHBondContact O-N 2.96Š|
| 14 | S | 36.2 | Very low | 37.6 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -61.6 | 101.6 | 173.9 | 38.9 | 0 | 0 | 0 | 0 | 108.9 | P12 I16 | P12-S14 PolarHBondContact O-N 2.95Å; P12-S14 VanDerWaalsContact O-N 3.15Å; S14-I16 VanDerWaalsContact C-N 3.35Å; S14-I16 PolarHBondContact O-N 3.25Å | ||
| 15 | I | 36.5 | Very low | 37.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -69.1 | 97.3 | 172.1 | -58.9 | 174.6 | 0 | 0 | 0 | 106.6 | P13 F17 | P13-I15 PolarHBondContact O-N 2.96Å; I15-F17 HydrophobicContact CB-CE2 4.18Å; I15-F17 HydrophobicContact CB-CZ 4.36Å; I15-F17 HydrophobicContact CG2-CD1 4.23Å; I15-F17 HydrophobicContact CG2-CD2 4.17Å; I15-F17 HydrophobicContact CG2-CE1 3.94Å; I15-F17 HydrophobicContact CG2-CE2 3.87Å; I15-F17 HydrophobicContact CG2-CG 4.34Å; I15-F17 HydrophobicContact CG2-CZ 3.75Å; I15-F17 WeakPolarHBondContact O-CD2 3.35Å; I15-F17 PolarHBondContact O-N 3.37Å | ||
| 16 | I | 36.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | -69.4 | 98.9 | 167 | -58 | 176.1 | 0 | 0 | 0 | 106.3 | S14 | S14-I16 VanDerWaalsContact C-N 3.35Å; S14-I16 PolarHBondContact O-N 3.25Å | ||
| 17 | F | 34.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.4 | 167.6 | -67.3 | -81.6 | 0 | 0 | 0 | 108.8 | I15 | I15-F17 HydrophobicContact CB-CE2 4.18Å; I15-F17 HydrophobicContact CB-CZ 4.36Å; I15-F17 HydrophobicContact CG2-CD1 4.23Å; I15-F17 HydrophobicContact CG2-CD2 4.17Å; I15-F17 HydrophobicContact CG2-CE1 3.94Å; I15-F17 HydrophobicContact CG2-CE2 3.87Å; I15-F17 HydrophobicContact CG2-CG 4.34Å; I15-F17 HydrophobicContact CG2-CZ 3.75Å; I15-F17 WeakPolarHBondContact O-CD2 3.35Å; I15-F17 PolarHBondContact O-N 3.37Å |
| 18 | P | 36.8 | Very low | 38 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 142.9 | 164.6 | 26.1 | -31.8 | 0 | 0 | 0 | 108.4 | V20 | P18-V20 PolarHBondContact O-N 3.19Š|
| 19 | P | 36.2 | Very low | 38.3 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135 | -173.8 | 22.9 | -31.7 | 0 | 0 | 0 | 110.5 | I21 | P19-I21 PolarHBondContact O-N 3.18Š|
| 20 | V | 35.7 | Very low | 38.4 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | trans | -66.2 | 105.6 | 169.5 | 175.5 | 0 | 0 | 0 | 0 | 106.6 | P18 T22 | P18-V20 PolarHBondContact O-N 3.19Å; V20-T22 PolarHBondContact O-N 3.02Å; V20-T22 VanDerWaalsContact O-N 3.07Å | ||
| 21 | I | 38.4 | Very low | 38.8 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -66.9 | 109.3 | 175.1 | -57.9 | 175.8 | 0 | 0 | 0 | 107.1 | P19 D25 | P19-I21 PolarHBondContact O-N 3.18Å; I21-D25 HydrophobicContact CG2-CB 4.28Å | ||
| 22 | T | 37.8 | Very low | 39.2 | Very low | 63 Ų | 63 | 109.8 Ų | 109.8 | 39% | 0.387 | 69% | 0.687 | S | S | . | * | trans | -86.2 | 156.2 | 169.6 | 62.9 | 0 | 0 | 0 | 0 | 109 | V20 S24 D25 | V20-T22 PolarHBondContact O-N 3.02Å; V20-T22 VanDerWaalsContact O-N 3.07Å; T22-S24 WeakPolarHBondContact CB-OG 3.42Å; T22-S24 PolarHBondContact O-N 3.41Å; T22-S24 PolarHBondContact OG1-OG 3.21Å; T22-D25 PolarHBondContact N-OD2 3.2Å; T22-D25 WeakPolarHBondContact O-CB 3.42Å; T22-D25 PolarHBondContact O-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.5Å | ||
| 23 | V | 39.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 110.4 Ų | 110.4 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -56.9 | -20.7 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 112 | D25 L26 | V23-D25 VanDerWaalsContact C-N 3.34Å; V23-L26 HydrophobicContact CG1-CD1 4.47Å |
| 24 | S | 41.7 | Very low | 40.9 | Very low | 101 Ų | 101 | 109 Ų | 109 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -72.4 | -15.8 | 174 | 16.5 | 0 | 0 | 0 | 0 | 115.3 | T22 | T22-S24 WeakPolarHBondContact CB-OG 3.42Å; T22-S24 PolarHBondContact O-N 3.41Å; T22-S24 PolarHBondContact OG1-OG 3.21Å |
| 25 | D | 40.8 | Very low | 41.6 | Very low | 101 Ų | 101 | 109.1 Ų | 109.1 | 54% | 0.54 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -92 | 2.7 | -178.8 | -58.2 | -50.6 | 0 | 0 | 0 | 113 | I21 T22 V23 | I21-D25 HydrophobicContact CG2-CB 4.28Å; T22-D25 PolarHBondContact N-OD2 3.2Å; T22-D25 WeakPolarHBondContact O-CB 3.42Å; T22-D25 PolarHBondContact O-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.5Å; V23-D25 VanDerWaalsContact C-N 3.34Å |
| 26 | L | 40.8 | Very low | 42.3 | Very low | 95 Ų | 95 | 108.6 Ų | 108.6 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -79.9 | 124.7 | 174.9 | -79.8 | 151.5 | 0 | 0 | 0 | 110.1 | V23 S28 | V23-L26 HydrophobicContact CG1-CD1 4.47Å; L26-S28 PolarHBondContact O-N 3.22Å |
| 27 | P | 37.9 | Very low | 43.1 | Very low | 80 Ų | 80 | 106.2 Ų | 106.2 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | trans | -59.2 | 138.2 | 174.1 | 21.7 | -29.5 | 0 | 0 | 0 | 110 | T29 | P27-T29 PolarHBondContact O-N 3.48Š| ||
| 28 | S | 45.6 | Very low | 44.7 | Very low | 129 Ų | 129 | 104.4 Ų | 104.4 | 90% | 0.902 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 25.3 | -170.1 | 80.1 | 0 | 0 | 0 | 0 | 115.4 | L26 | L26-S28 PolarHBondContact O-N 3.22Š|
| 29 | T | 41.7 | Very low | 45.5 | Very low | 105 Ų | 105 | 100.1 Ų | 100.1 | 64% | 0.644 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 17 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | P27 A31 | P27-T29 PolarHBondContact O-N 3.48Å; T29-A31 PolarHBondContact O-N 3.35Å |
| 30 | A | 42.5 | Very low | 46.5 | Very low | 68 Ų | 68 | 97 Ų | 97 | 56% | 0.562 | 57% | 0.566 | S | S | * | * | trans | -76.2 | 34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 31 | A | 43.7 | Very low | 47.7 | Very low | 102 Ų | 102 | 97.6 Ų | 97.6 | 84% | 0.843 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -95.3 | 96.4 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | T29 | T29-A31 PolarHBondContact O-N 3.35Š|
| 32 | G | 47.7 | Very low | 48.5 | Very low | 74 Ų | 74 | 96.4 Ų | 96.4 | 76% | 0.763 | 55% | 0.552 | S | S | * | * | trans | 102.1 | 40 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 33 | R | 51.5 | Low | 49.1 | Very low | 125 Ų | 125 | 98.8 Ų | 98.8 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | trans | -75.6 | 125.7 | 166.8 | -63.2 | -171 | -168 | -173.8 | 5.3 | 110 | L35 | R33-L35 PolarHBondContact O-N 3.32Š| ||
| 34 | N | 56.8 | Low | 49.7 | Very low | 88 Ų | 88 | 94.7 Ų | 94.7 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | trans | -67 | 131.1 | 176.4 | -174.5 | -28.8 | 0 | 0 | 0 | 108.8 | K36 E37 W38 | N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.14Å; N34-E37 HydrophobicContact CB-CB 4.45Å; N34-E37 HydrophobicContact CB-CG 4.1Å; N34-E37 PolarHBondContact O-N 3.14Å; N34-W38 PolarHBondContact O-N 3.26Å; N34-W38 VanDerWaalsContact O-N 3.16Å | ||
| 35 | L | 51.7 | Low | 50 | Low | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -50.2 | -32.5 | 176.6 | 179 | 63.5 | 0 | 0 | 0 | 111.7 | R33 L39 | R33-L35 PolarHBondContact O-N 3.32Å; L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.06Å |
| 36 | K | 50.6 | Low | 50.2 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -47.8 | 174.8 | -170.5 | -177.3 | 176.8 | -175.5 | 0 | 112.7 | N34 L39 Q40 L48 | N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.14Å; K36-L39 PolarHBondContact O-N 3.26Å; K36-Q40 VanDerWaalsContact O-CB 3.26Å; K36-Q40 WeakPolarHBondContact O-CB 3.37Å; K36-Q40 PolarHBondContact O-N 3.4Å; K36-L48 HydrophobicContact CD-CD1 4.14Å; K36-L48 HydrophobicContact CG-CD1 3.66Å |
| 37 | E | 53.4 | Low | 50.3 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.8 | -40.6 | -178.2 | -68.5 | 167.4 | 172.1 | 0 | 0 | 111 | N34 Q40 E41 | N34-E37 HydrophobicContact CB-CB 4.45Å; N34-E37 HydrophobicContact CB-CG 4.1Å; N34-E37 PolarHBondContact O-N 3.14Å; E37-Q40 WeakPolarHBondContact O-CB 3.4Å; E37-Q40 PolarHBondContact O-N 2.92Å; E37-E41 PolarHBondContact O-N 3.15Å |
| 38 | W | 67.8 | Low | 50.7 | Low | 116 Ų | 116 | 100.4 Ų | 100.4 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 175.8 | -174.2 | 85.3 | 0 | 0 | 0 | 112.1 | N34 Q40 E41 Q42 F43 | N34-W38 PolarHBondContact O-N 3.26Å; N34-W38 VanDerWaalsContact O-N 3.16Å; W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 3.16Å; W38-E41 PolarHBondContact O-N 2.94Å; W38-Q42 HydrophobicContact CD2-CG 4.08Å; W38-Q42 HydrophobicContact CE3-CG 4.43Å; W38-Q42 HydrophobicContact CH2-CG 4.26Å; W38-Q42 HydrophobicContact CZ2-CG 3.89Å; W38-Q42 WeakPolarHBondContact O-CB 3.44Å; W38-Q42 VanDerWaalsContact O-CG 3.25Å; W38-Q42 WeakPolarHBondContact O-CG 3.49Å; W38-Q42 PolarHBondContact O-N 3.38Å; W38-Q42 VanDerWaalsContact O-N 3.15Å; W38-F43 HydrophobicContact CH2-CE2 4.3Å; W38-F43 AromaticContact CZ3-CE2 3.94Å; W38-F43 HydrophobicContact CZ3-CE2 3.94Å |
| 39 | L | 52.9 | Low | 50.8 | Low | 17 Ų | 17 | 101.7 Ų | 101.7 | 9% | 0.089 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 174.9 | -74.5 | 171 | 0 | 0 | 0 | 111.8 | L35 K36 F43 L91 | L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.06Å; K36-L39 PolarHBondContact O-N 3.26Å; L39-F43 HydrophobicContact CD2-CD2 3.9Å; L39-F43 HydrophobicContact CD2-CE2 3.93Å; L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.27Å; L39-L91 HydrophobicContact CD2-CD2 4.39Å |
| 40 | Q | 57.5 | Low | 51.3 | Low | 51 Ų | 51 | 105.6 Ų | 105.6 | 24% | 0.238 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -67.3 | -46.3 | 178.4 | -172.6 | 177 | -12.6 | 0 | 0 | 111.7 | K36 E37 W38 Q42 C44 P47 L48 | K36-Q40 VanDerWaalsContact O-CB 3.26Å; K36-Q40 WeakPolarHBondContact O-CB 3.37Å; K36-Q40 PolarHBondContact O-N 3.4Å; E37-Q40 WeakPolarHBondContact O-CB 3.4Å; E37-Q40 PolarHBondContact O-N 2.92Å; W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 3.16Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 2.97Å; Q40-C44 HydrophobicContact CG-CB 4.29Å; Q40-C44 WeakPolarHBondContact O-CB 3.25Å; Q40-C44 PolarHBondContact O-N 3.39Å; Q40-C44 VanDerWaalsContact O-O 3.14Å; Q40-P47 VanDerWaalsContact NE2-CA 3.31Å; Q40-L48 HydrophobicContact CB-CD1 4.14Å; Q40-L48 HydrophobicContact CG-CD1 4.1Å; Q40-L48 HydrophobicContact CG-CG 4.1Å; Q40-L48 VanDerWaalsContact NE2-N 3.18Å; Q40-L48 VanDerWaalsContact OE1-CD1 3.28Å |
| 41 | E | 61.3 | Low | 52.2 | Low | 137 Ų | 137 | 105.8 Ų | 105.8 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -33.9 | 177.3 | -74.6 | 178.9 | 169.6 | 0 | 0 | 113.5 | E37 W38 | E37-E41 PolarHBondContact O-N 3.15Å; W38-E41 PolarHBondContact O-N 2.94Å |
| 42 | Q | 54.9 | Low | 53.8 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -88.5 | -23.9 | -174.4 | -65.3 | -57.1 | -67.8 | 0 | 0 | 113.7 | W38 Q40 | W38-Q42 HydrophobicContact CD2-CG 4.08Å; W38-Q42 HydrophobicContact CE3-CG 4.43Å; W38-Q42 HydrophobicContact CH2-CG 4.26Å; W38-Q42 HydrophobicContact CZ2-CG 3.89Å; W38-Q42 WeakPolarHBondContact O-CB 3.44Å; W38-Q42 VanDerWaalsContact O-CG 3.25Å; W38-Q42 WeakPolarHBondContact O-CG 3.49Å; W38-Q42 PolarHBondContact O-N 3.38Å; W38-Q42 VanDerWaalsContact O-N 3.15Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 2.97Å |
| 43 | F | 50.5 | Low | 55.5 | Low | 112 Ų | 112 | 102.4 Ų | 102.4 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -136.5 | -4.5 | -167.2 | -55.7 | -74.7 | 0 | 0 | 0 | 115.3 | W38 L39 | W38-F43 HydrophobicContact CH2-CE2 4.3Å; W38-F43 AromaticContact CZ3-CE2 3.94Å; W38-F43 HydrophobicContact CZ3-CE2 3.94Å; L39-F43 HydrophobicContact CD2-CD2 3.9Å; L39-F43 HydrophobicContact CD2-CE2 3.93Å; L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.27Å |
| 44 | C | 51.8 | Low | 57.3 | Low | 46 Ų | 46 | 102 Ų | 102 | 31% | 0.311 | 49% | 0.491 | S | S | . | . | trans | -122.1 | 114.1 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | Q40 K46 | Q40-C44 HydrophobicContact CG-CB 4.29Å; Q40-C44 WeakPolarHBondContact O-CB 3.25Å; Q40-C44 PolarHBondContact O-N 3.39Å; Q40-C44 VanDerWaalsContact O-O 3.14Å; C44-K46 WeakPolarHBondContact CB-O 3.5Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-K46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | D | 49 | Very low | 58.9 | Low | 180 Ų | 180 | 98 Ų | 98 | 96% | 0.963 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.6 | -3.1 | 174.2 | -67.1 | -38.9 | 0 | 0 | 0 | 113.5 | ||
| 46 | K | 45.2 | Very low | 60.7 | Low | 171 Ų | 171 | 93 Ų | 93 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -140.7 | 151.4 | -178 | -68.7 | -177.5 | -176.5 | 174.4 | 0 | 111.7 | C44 | C44-K46 WeakPolarHBondContact CB-O 3.5Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-K46 VanDerWaalsContact O-N 3.1Å |
| 47 | P | 41.8 | Very low | 62.5 | Low | 93 Ų | 93 | 90.7 Ų | 90.7 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | trans | -62.9 | 146.9 | 177.1 | 24.6 | -31.2 | 0 | 0 | 0 | 111.9 | Q40 E49 | Q40-P47 VanDerWaalsContact NE2-CA 3.31Å; P47-E49 PolarHBondContact O-N 3.12Å | ||
| 48 | L | 47.8 | Very low | 64.5 | Low | 52 Ų | 52 | 85.9 Ų | 85.9 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | trans | -66 | 70.4 | 173.3 | -71.8 | 163.5 | 0 | 0 | 0 | 110.6 | K36 Q40 | K36-L48 HydrophobicContact CD-CD1 4.14Å; K36-L48 HydrophobicContact CG-CD1 3.66Å; Q40-L48 HydrophobicContact CB-CD1 4.14Å; Q40-L48 HydrophobicContact CG-CD1 4.1Å; Q40-L48 HydrophobicContact CG-CG 4.1Å; Q40-L48 VanDerWaalsContact NE2-N 3.18Å; Q40-L48 VanDerWaalsContact OE1-CD1 3.28Å | ||
| 49 | E | 45.9 | Very low | 65.7 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 73% | 0.729 | 39% | 0.394 | S | S | * | . | trans | -60.1 | 158.5 | 151.3 | -66.2 | -169.7 | 169.5 | 0 | 0 | 107.7 | P47 D51 | P47-E49 PolarHBondContact O-N 3.12Å; E49-D51 PolarHBondContact O-N 3.05Å | ||
| 50 | Q | 53.5 | Low | 67.6 | Low | 188 Ų | 188 | 85.1 Ų | 85.1 | 88% | 0.879 | 41% | 0.412 | S | S | * | . | trans | -62.6 | 82.6 | 178.2 | -83.8 | 170.8 | -45.3 | 0 | 0 | 110 | D52 | Q50-D52 PolarHBondContact O-N 3.4Š| ||
| 51 | D | 61.7 | Low | 69.3 | Low | 72 Ų | 72 | 87.7 Ų | 87.7 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | trans | -60.3 | 105.5 | 180 | -105.6 | -25.3 | 0 | 0 | 0 | 108.6 | E49 M53 R79 | E49-D51 PolarHBondContact O-N 3.05Å; D51-M53 WeakPolarHBondContact O-CG 3.45Å; D51-M53 PolarHBondContact O-N 3.06Å; D51-R79 IonicContact OD1-NH2 2.65Å; D51-R79 PolarHBondContact OD1-NH2 3.4Å | ||
| 52 | D | 76.7 | Confident | 70.9 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | trans | -43.3 | 102.3 | -172.6 | -166.8 | -25.7 | 0 | 0 | 0 | 113.8 | Q50 R54 F76 | Q50-D52 PolarHBondContact O-N 3.4Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 WeakPolarHBondContact OD1-CG 3.42Å; D52-R54 IonicContact OD1-CZ 3.17Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 VanDerWaalsContact OD1-N 3.14Å; D52-R54 IonicContact OD1-NE 2.91Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD2-CZ 3.38Å; D52-R54 IonicContact OD2-NE 3.93Å; D52-R54 PolarHBondContact OD2-NE 3.38Å; D52-R54 IonicContact OD2-NH2 2.76Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; D52-F76 HydrophobicContact CB-CE1 4.26Å; D52-F76 HydrophobicContact CB-CZ 4.35Å; D52-F76 WeakPolarHBondContact OD2-CZ 3.39Å | ||
| 53 | M | 83 | Confident | 72.9 | Confident | 64 Ų | 64 | 80 Ų | 80 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.4 | -170 | -43.3 | 69.7 | 33.2 | 0 | 0 | 112.8 | D51 L55 H56 N57 | D51-M53 WeakPolarHBondContact O-CG 3.45Å; D51-M53 PolarHBondContact O-N 3.06Å; M53-L55 PolarHBondContact O-N 3.22Å; M53-H56 PolarHBondContact O-N 3.34Å; M53-N57 WeakPolarHBondContact O-CB 3.47Å; M53-N57 PolarHBondContact O-N 3.09Å; M53-N57 PolarHBondContact O-ND2 3.39Å |
| 54 | R | 88.6 | Confident | 75.2 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.6 | -39 | -174.2 | -74.1 | -178.3 | -71.6 | 160.5 | -2.4 | 111.6 | D52 A58 L70 F76 | D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 WeakPolarHBondContact OD1-CG 3.42Å; D52-R54 IonicContact OD1-CZ 3.17Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 VanDerWaalsContact OD1-N 3.14Å; D52-R54 IonicContact OD1-NE 2.91Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD2-CZ 3.38Å; D52-R54 IonicContact OD2-NE 3.93Å; D52-R54 PolarHBondContact OD2-NE 3.38Å; D52-R54 IonicContact OD2-NH2 2.76Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; R54-A58 WeakPolarHBondContact O-CB 3.38Å; R54-A58 PolarHBondContact O-N 3.24Å; R54-L70 HydrophobicContact CB-CD1 3.72Å; R54-L70 HydrophobicContact CB-CD2 4.16Å; R54-F76 HydrophobicContact CB-CE1 4.41Å; R54-F76 HydrophobicContact CB-CZ 4.24Å; R54-F76 VanDerWaalsContact NH2-CZ 3.33Å |
| 55 | L | 90.7 | Very high | 77.3 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 178.4 | -169.5 | 68.6 | 0 | 0 | 0 | 112.2 | M53 A58 A59 L67 L70 L71 F76 P95 | M53-L55 PolarHBondContact O-N 3.22Å; L55-A58 PolarHBondContact O-N 3.5Å; L55-A59 WeakPolarHBondContact O-CB 3.3Å; L55-A59 PolarHBondContact O-N 3.37Å; L55-L67 HydrophobicContact CD1-CD2 3.57Å; L55-L67 HydrophobicContact CG-CD2 4.34Å; L55-L70 HydrophobicContact CD1-CB 4.44Å; L55-L71 HydrophobicContact CD1-CD1 4.02Å; L55-L71 HydrophobicContact CD1-CD2 3.95Å; L55-L71 HydrophobicContact CD1-CG 3.77Å; L55-L71 HydrophobicContact CD2-CD2 4.27Å; L55-F76 HydrophobicContact CB-CD1 3.97Å; L55-F76 HydrophobicContact CB-CE1 4.26Å; L55-P95 HydrophobicContact CD2-CB 4.45Å; L55-P95 HydrophobicContact CD2-CG 3.68Å; L55-P95 HydrophobicContact CG-CB 4.21Å; L55-P95 HydrophobicContact CG-CG 3.84Å |
| 56 | H | 90.4 | Very high | 79.6 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 3% | 0.032 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 177.9 | -62.6 | 77.7 | 0 | 0 | 0 | 112.3 | M53 A59 Y60 E82 S84 C93 P95 I98 | M53-H56 PolarHBondContact O-N 3.34Å; H56-A59 PolarHBondContact O-N 2.88Å; H56-Y60 WeakPolarHBondContact O-CB 3.46Å; H56-Y60 PolarHBondContact O-N 2.91Å; H56-E82 PolarHBondContact NE2-O 3.27Å; H56-E82 VanDerWaalsContact NE2-O 3.15Å; H56-S84 PolarHBondContact CD2-OG 2.95Å; H56-S84 PolarHBondContact CE1-OG 2.96Å; H56-S84 PolarHBondContact ND1-OG 3.45Å; H56-S84 PolarHBondContact NE2-OG 3.21Å; H56-C93 PolarHBondContact CD2-O 2.92Å; H56-C93 VanDerWaalsContact CD2-O 3.24Å; H56-C93 PolarHBondContact NE2-O 3.38Å; H56-C93 VanDerWaalsContact NE2-O 3.12Å; H56-P95 WeakPolarHBondContact NE2-CD 3.47Å; H56-I98 HydrophobicContact CB-CD1 3.7Å |
| 57 | N | 88.9 | Confident | 82 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.1 | -72.9 | -26.8 | 0 | 0 | 0 | 112 | M53 A59 Y60 V61 W86 | M53-N57 WeakPolarHBondContact O-CB 3.47Å; M53-N57 PolarHBondContact O-N 3.09Å; M53-N57 PolarHBondContact O-ND2 3.39Å; N57-A59 VanDerWaalsContact C-N 3.33Å; N57-A59 PolarHBondContact O-N 3.08Å; N57-Y60 PolarHBondContact O-N 3.28Å; N57-V61 WeakPolarHBondContact O-CG2 3.49Å; N57-V61 PolarHBondContact O-N 3.17Å; N57-W86 PolarHBondContact OD1-NE1 3.07Å |
| 58 | A | 93.8 | Very high | 84.7 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R54 L55 Y60 V61 G62 D63 T66 L67 | R54-A58 WeakPolarHBondContact O-CB 3.38Å; R54-A58 PolarHBondContact O-N 3.24Å; L55-A58 PolarHBondContact O-N 3.5Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 PolarHBondContact O-N 3.04Å; A58-V61 PolarHBondContact O-N 3.45Å; A58-G62 PolarHBondContact O-N 2.87Å; A58-D63 HydrophobicContact CB-CB 4.47Å; A58-D63 PolarHBondContact O-N 2.94Å; A58-T66 HydrophobicContact CB-CG2 3.75Å; A58-L67 HydrophobicContact CB-CD2 3.74Å; A58-L67 HydrophobicContact CB-CG 3.91Å |
| 59 | A | 94.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L55 H56 N57 L67 P95 I98 A99 H104 L111 | L55-A59 WeakPolarHBondContact O-CB 3.3Å; L55-A59 PolarHBondContact O-N 3.37Å; H56-A59 PolarHBondContact O-N 2.88Å; N57-A59 VanDerWaalsContact C-N 3.33Å; N57-A59 PolarHBondContact O-N 3.08Å; A59-L67 HydrophobicContact CB-CD2 4.36Å; A59-P95 HydrophobicContact CB-CB 3.98Å; A59-P95 WeakPolarHBondContact CB-O 3.49Å; A59-I98 HydrophobicContact CB-CB 4.44Å; A59-I98 HydrophobicContact CB-CG2 4.23Å; A59-A99 HydrophobicContact CB-CB 4.25Å; A59-A99 WeakPolarHBondContact O-CA 3.15Å; A59-H104 PolarHBondContact O-CD2 3.24Å; A59-L111 HydrophobicContact CB-CD1 4.35Å |
| 60 | Y | 91.7 | Very high | 89.2 | Confident | 116 Ų | 116 | 61 Ų | 61 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.1 | -45.9 | 178 | 176.6 | -105.6 | 0 | 0 | 0 | 112.8 | H56 N57 A58 G62 W86 I98 H104 | H56-Y60 WeakPolarHBondContact O-CB 3.46Å; H56-Y60 PolarHBondContact O-N 2.91Å; N57-Y60 PolarHBondContact O-N 3.28Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 PolarHBondContact O-N 3.04Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; Y60-W86 HydrophobicContact CD1-CH2 4.07Å; Y60-W86 AromaticContact CD1-CZ2 3.58Å; Y60-W86 HydrophobicContact CD1-CZ2 3.58Å; Y60-W86 AromaticContact CD2-CH2 3.72Å; Y60-W86 HydrophobicContact CD2-CH2 3.72Å; Y60-W86 AromaticContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ3 4.37Å; Y60-W86 AromaticContact CE1-CH2 3.76Å; Y60-W86 HydrophobicContact CE1-CH2 3.76Å; Y60-W86 AromaticContact CE1-CZ2 3.65Å; Y60-W86 HydrophobicContact CE1-CZ2 3.65Å; Y60-W86 AromaticContact CE2-CH2 3.37Å; Y60-W86 HydrophobicContact CE2-CH2 3.37Å; Y60-W86 AromaticContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ3 4.07Å; Y60-W86 HydrophobicContact CG-CH2 4.05Å; Y60-W86 AromaticContact CG-CZ2 3.65Å; Y60-W86 HydrophobicContact CG-CZ2 3.65Å; Y60-W86 AromaticContact CZ-CH2 3.39Å; Y60-W86 AromaticContact CZ-CZ2 3.8Å; Y60-I98 HydrophobicContact CD2-CG2 4.14Å; Y60-I98 HydrophobicContact CG-CG2 4.35Å; Y60-H104 PolarHBondContact O-CD2 3.01Å; Y60-H104 PolarHBondContact O-NE2 3Å |
| 61 | V | 93.6 | Very high | 91.2 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -75.2 | -23.1 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | N57 A58 H104 | N57-V61 WeakPolarHBondContact O-CG2 3.49Å; N57-V61 PolarHBondContact O-N 3.17Å; A58-V61 PolarHBondContact O-N 3.45Å; V61-H104 VanDerWaalsContact C-NE2 3.31Å; V61-H104 PolarHBondContact O-CE1 3.17Å; V61-H104 PolarHBondContact O-NE2 3.15Å |
| 62 | G | 95.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 23.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A58 Y60 L64 H104 C107 | A58-G62 PolarHBondContact O-N 2.87Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.76Å; G62-L64 VanDerWaalsContact O-N 3.07Å; G62-H104 WeakPolarHBondContact CA-CD2 3.21Å; G62-H104 VanDerWaalsContact CA-CG 3.42Å; G62-H104 PolarHBondContact N-CD2 3.12Å; G62-H104 PolarHBondContact N-NE2 2.91Å; G62-C107 VanDerWaalsContact C-SG 3.56Å |
| 63 | D | 97.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | trans | -80.8 | 87.6 | 179.8 | -174 | -10.1 | 0 | 0 | 0 | 110.5 | A58 D65 T66 L67 | A58-D63 HydrophobicContact CB-CB 4.47Å; A58-D63 PolarHBondContact O-N 2.94Å; D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.14Å; D63-D65 PolarHBondContact OD1-N 3.21Å; D63-T66 VanDerWaalsContact CG-CB 3.41Å; D63-T66 PolarHBondContact O-N 3.1Å; D63-T66 PolarHBondContact OD1-N 2.95Å; D63-T66 PolarHBondContact OD1-OG1 3.08Å; D63-T66 VanDerWaalsContact OD2-CB 3.23Å; D63-T66 WeakPolarHBondContact OD2-CB 3.29Å; D63-T66 PolarHBondContact OD2-OG1 3.03Å; D63-L67 WeakPolarHBondContact O-CG 3.41Å; D63-L67 PolarHBondContact O-N 2.8Å | ||
| 64 | L | 97.7 | Very high | 93.7 | Very high | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -34.3 | -179.9 | -179.9 | 61.6 | 0 | 0 | 0 | 112.6 | G62 L67 R68 A106 Y110 | G62-L64 PolarHBondContact O-N 2.76Å; G62-L64 VanDerWaalsContact O-N 3.07Å; L64-L67 PolarHBondContact O-N 2.65Å; L64-R68 WeakPolarHBondContact O-CB 3.46Å; L64-R68 VanDerWaalsContact O-CG 3.3Å; L64-R68 WeakPolarHBondContact O-CG 3.33Å; L64-R68 PolarHBondContact O-N 2.93Å; L64-A106 HydrophobicContact CD2-CB 4.12Å; L64-Y110 HydrophobicContact CD1-CD1 4.06Å; L64-Y110 HydrophobicContact CD1-CD2 4.46Å; L64-Y110 HydrophobicContact CD1-CG 3.76Å |
| 65 | D | 97.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.2 | -40.1 | -176.9 | -66.7 | -38.6 | 0 | 0 | 0 | 110.6 | D63 R68 N69 | D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.14Å; D63-D65 PolarHBondContact OD1-N 3.21Å; D65-R68 WeakPolarHBondContact O-CB 3.24Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-NH1 3.4Å; D65-R68 PolarHBondContact OD1-NH1 2.96Å; D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 2.76Å |
| 66 | T | 96.3 | Very high | 93.7 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 170.3 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | A58 D63 R68 N69 L70 | A58-T66 HydrophobicContact CB-CG2 3.75Å; D63-T66 VanDerWaalsContact CG-CB 3.41Å; D63-T66 PolarHBondContact O-N 3.1Å; D63-T66 PolarHBondContact OD1-N 2.95Å; D63-T66 PolarHBondContact OD1-OG1 3.08Å; D63-T66 VanDerWaalsContact OD2-CB 3.23Å; D63-T66 WeakPolarHBondContact OD2-CB 3.29Å; D63-T66 PolarHBondContact OD2-OG1 3.03Å; T66-R68 VanDerWaalsContact C-N 3.29Å; T66-R68 PolarHBondContact O-N 3.1Å; T66-N69 PolarHBondContact O-N 3.16Å; T66-L70 HydrophobicContact CG2-CD1 3.65Å; T66-L70 HydrophobicContact CG2-CG 4.02Å; T66-L70 WeakPolarHBondContact O-CB 3.18Å; T66-L70 VanDerWaalsContact O-CG 3.24Å; T66-L70 WeakPolarHBondContact O-CG 3.37Å; T66-L70 PolarHBondContact O-N 3.11Å |
| 67 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 173.5 | -73.6 | 179.5 | 0 | 0 | 0 | 112.2 | L55 A58 A59 D63 L64 L71 C107 Y110 L111 | L55-L67 HydrophobicContact CD1-CD2 3.57Å; L55-L67 HydrophobicContact CG-CD2 4.34Å; A58-L67 HydrophobicContact CB-CD2 3.74Å; A58-L67 HydrophobicContact CB-CG 3.91Å; A59-L67 HydrophobicContact CB-CD2 4.36Å; D63-L67 WeakPolarHBondContact O-CG 3.41Å; D63-L67 PolarHBondContact O-N 2.8Å; L64-L67 PolarHBondContact O-N 2.65Å; L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.88Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L67-C107 HydrophobicContact CD1-CB 3.64Å; L67-C107 VanDerWaalsContact CD1-SG 3.59Å; L67-Y110 HydrophobicContact CB-CD1 4.18Å; L67-Y110 HydrophobicContact CB-CE1 4.28Å; L67-L111 HydrophobicContact CD1-CD1 4.34Å; L67-L111 HydrophobicContact CD1-CD2 4.47Å; L67-L111 HydrophobicContact CD1-CG 4.29Å; L67-L111 HydrophobicContact CD2-CD2 4.31Å |
| 68 | R | 97.2 | Very high | 93.6 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 177.8 | -78.9 | 168.8 | 172.9 | 169.7 | -3.7 | 112.3 | L64 D65 T66 Q72 Y110 | L64-R68 WeakPolarHBondContact O-CB 3.46Å; L64-R68 VanDerWaalsContact O-CG 3.3Å; L64-R68 WeakPolarHBondContact O-CG 3.33Å; L64-R68 PolarHBondContact O-N 2.93Å; D65-R68 WeakPolarHBondContact O-CB 3.24Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-NH1 3.4Å; D65-R68 PolarHBondContact OD1-NH1 2.96Å; T66-R68 VanDerWaalsContact C-N 3.29Å; T66-R68 PolarHBondContact O-N 3.1Å; R68-Q72 WeakPolarHBondContact O-CG 3.39Å; R68-Q72 PolarHBondContact O-NE2 2.71Å; R68-Y110 WeakPolarHBondContact CA-OH 3.41Å; R68-Y110 HydrophobicContact CB-CE1 4.49Å; R68-Y110 HydrophobicContact CG-CD1 4.43Å; R68-Y110 HydrophobicContact CG-CD2 4.27Å; R68-Y110 HydrophobicContact CG-CE1 3.91Å; R68-Y110 HydrophobicContact CG-CE2 3.74Å |
| 69 | N | 96 | Very high | 93.3 | Very high | 110 Ų | 110 | 72.4 Ų | 72.4 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.6 | -49.2 | -179.7 | -68.2 | -25.1 | 0 | 0 | 0 | 111.4 | D65 T66 L71 Q72 | D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 2.76Å; T66-N69 PolarHBondContact O-N 3.16Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.22Å; N69-Q72 WeakPolarHBondContact O-CB 3.39Å; N69-Q72 PolarHBondContact O-N 3.17Å |
| 70 | L | 94.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | -179 | -66.5 | 172.6 | 0 | 0 | 0 | 111.7 | R54 L55 T66 Q72 E73 F76 | R54-L70 HydrophobicContact CB-CD1 3.72Å; R54-L70 HydrophobicContact CB-CD2 4.16Å; L55-L70 HydrophobicContact CD1-CB 4.44Å; T66-L70 HydrophobicContact CG2-CD1 3.65Å; T66-L70 HydrophobicContact CG2-CG 4.02Å; T66-L70 WeakPolarHBondContact O-CB 3.18Å; T66-L70 VanDerWaalsContact O-CG 3.24Å; T66-L70 WeakPolarHBondContact O-CG 3.37Å; T66-L70 PolarHBondContact O-N 3.11Å; L70-Q72 PolarHBondContact O-N 3.2Å; L70-E73 WeakPolarHBondContact O-CB 3.29Å; L70-E73 PolarHBondContact O-N 3.05Å; L70-F76 HydrophobicContact CB-CD2 4Å; L70-F76 HydrophobicContact CB-CE2 4.34Å; L70-F76 HydrophobicContact CB-CG 4.16Å; L70-F76 HydrophobicContact CD2-CD2 4.12Å; L70-F76 HydrophobicContact CD2-CE2 3.6Å; L70-F76 HydrophobicContact CD2-CZ 3.87Å; L70-F76 HydrophobicContact CG-CE2 4.49Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD2 3.34Å |
| 71 | L | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1 | -178.5 | -70.7 | 167.9 | 0 | 0 | 0 | 114.3 | L55 L67 N69 E73 F76 I80 Y110 L111 Q114 | L55-L71 HydrophobicContact CD1-CD1 4.02Å; L55-L71 HydrophobicContact CD1-CD2 3.95Å; L55-L71 HydrophobicContact CD1-CG 3.77Å; L55-L71 HydrophobicContact CD2-CD2 4.27Å; L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.88Å; L67-L71 VanDerWaalsContact O-N 3.08Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.22Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-F76 HydrophobicContact CD2-CB 4.29Å; L71-I80 HydrophobicContact CD1-CD1 4.26Å; L71-I80 HydrophobicContact CD2-CB 4.49Å; L71-I80 HydrophobicContact CD2-CD1 4.12Å; L71-I80 HydrophobicContact CD2-CG1 4.33Å; L71-Y110 HydrophobicContact CB-CE1 4.43Å; L71-Y110 HydrophobicContact CD1-CD1 4.25Å; L71-Y110 HydrophobicContact CD1-CE1 3.66Å; L71-L111 HydrophobicContact CD1-CD2 3.92Å; L71-Q114 HydrophobicContact CD1-CB 4.25Å; L71-Q114 HydrophobicContact CD1-CG 4.11Å |
| 72 | Q | 93.8 | Very high | 92.9 | Very high | 141 Ų | 141 | 68.1 Ų | 68.1 | 66% | 0.659 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.2 | 162.7 | -60.5 | -51.8 | -52.7 | 0 | 0 | 112.2 | R68 N69 L70 | R68-Q72 WeakPolarHBondContact O-CG 3.39Å; R68-Q72 PolarHBondContact O-NE2 2.71Å; N69-Q72 WeakPolarHBondContact O-CB 3.39Å; N69-Q72 PolarHBondContact O-N 3.17Å; L70-Q72 PolarHBondContact O-N 3.2Å |
| 73 | E | 91.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -82.2 | 130.1 | 178.9 | -56.7 | 175.8 | -154.1 | 0 | 0 | 109.9 | L70 L71 D75 F76 R77 | L70-E73 WeakPolarHBondContact O-CB 3.29Å; L70-E73 PolarHBondContact O-N 3.05Å; L71-E73 VanDerWaalsContact C-N 3.31Å; E73-D75 PolarHBondContact O-N 3.06Å; E73-D75 VanDerWaalsContact O-N 3.16Å; E73-F76 HydrophobicContact CB-CD2 4.05Å; E73-F76 HydrophobicContact CG-CD2 4.49Å; E73-F76 PolarHBondContact O-N 3.43Å; E73-F76 WeakPolarHBondContact OE2-CE2 3.3Å; E73-R77 PolarHBondContact O-N 3Å; E73-R77 VanDerWaalsContact O-N 3.14Å |
| 74 | D | 88.8 | Confident | 91.1 | Very high | 109 Ų | 109 | 68.7 Ų | 68.7 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.1 | -29.5 | -178 | -79.7 | -26.7 | 0 | 0 | 0 | 113.1 | R78 | D74-R78 WeakPolarHBondContact O-CG 3.49Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.13Å |
| 75 | D | 88.9 | Confident | 89.5 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -54.4 | 177.7 | -169.6 | 66 | 0 | 0 | 0 | 111.2 | E73 R77 R78 R79 | E73-D75 PolarHBondContact O-N 3.06Å; E73-D75 VanDerWaalsContact O-N 3.16Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.48Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R79 VanDerWaalsContact O-CG 3.25Å; D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-N 3.42Å; D75-R79 WeakPolarHBondContact OD2-CD 3.36Å; D75-R79 IonicContact OD2-NH1 3.96Å; D75-R79 PolarHBondContact OD2-NH1 3.21Å |
| 76 | F | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 178.1 | -77 | -66.7 | 0 | 0 | 0 | 112.6 | D52 R54 L55 L70 L71 E73 R78 R79 I80 | D52-F76 HydrophobicContact CB-CE1 4.26Å; D52-F76 HydrophobicContact CB-CZ 4.35Å; D52-F76 WeakPolarHBondContact OD2-CZ 3.39Å; R54-F76 HydrophobicContact CB-CE1 4.41Å; R54-F76 HydrophobicContact CB-CZ 4.24Å; R54-F76 VanDerWaalsContact NH2-CZ 3.33Å; L55-F76 HydrophobicContact CB-CD1 3.97Å; L55-F76 HydrophobicContact CB-CE1 4.26Å; L70-F76 HydrophobicContact CB-CD2 4Å; L70-F76 HydrophobicContact CB-CE2 4.34Å; L70-F76 HydrophobicContact CB-CG 4.16Å; L70-F76 HydrophobicContact CD2-CD2 4.12Å; L70-F76 HydrophobicContact CD2-CE2 3.6Å; L70-F76 HydrophobicContact CD2-CZ 3.87Å; L70-F76 HydrophobicContact CG-CE2 4.49Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD2 3.34Å; L71-F76 HydrophobicContact CD2-CB 4.29Å; E73-F76 HydrophobicContact CB-CD2 4.05Å; E73-F76 HydrophobicContact CG-CD2 4.49Å; E73-F76 PolarHBondContact O-N 3.43Å; E73-F76 WeakPolarHBondContact OE2-CE2 3.3Å; F76-R78 PolarHBondContact O-N 3.37Å; F76-R79 CarbonylContact O-C 3.49Å; F76-R79 PolarHBondContact O-N 2.98Å; F76-R79 VanDerWaalsContact O-N 3.14Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.14Å |
| 77 | R | 89.5 | Confident | 85 | Confident | 138 Ų | 138 | 69.5 Ų | 69.5 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.3 | -172.1 | 174.9 | 175.9 | 170.8 | 0.3 | 112.2 | E73 D75 R79 I80 | E73-R77 PolarHBondContact O-N 3Å; E73-R77 VanDerWaalsContact O-N 3.14Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.48Å; R77-R79 PolarHBondContact O-N 2.85Å; R77-I80 WeakPolarHBondContact O-CG2 3.39Å; R77-I80 PolarHBondContact O-N 3.28Å |
| 78 | R | 88.5 | Confident | 82.6 | Confident | 196 Ų | 196 | 73.1 Ų | 73.1 | 74% | 0.74 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -27.4 | 175 | -72.5 | 175.4 | -169.4 | 151.9 | 7.3 | 112.4 | D74 D75 F76 | D74-R78 WeakPolarHBondContact O-CG 3.49Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.13Å; D75-R78 PolarHBondContact O-N 2.98Å; F76-R78 PolarHBondContact O-N 3.37Å |
| 79 | R | 88.8 | Confident | 80.5 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7 | -174.8 | -59.3 | 175.5 | 62.7 | -159.8 | -1.7 | 113.9 | D51 D75 F76 R77 N81 E82 | D51-R79 IonicContact OD1-NH2 2.65Å; D51-R79 PolarHBondContact OD1-NH2 3.4Å; D75-R79 VanDerWaalsContact O-CG 3.25Å; D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-N 3.42Å; D75-R79 WeakPolarHBondContact OD2-CD 3.36Å; D75-R79 IonicContact OD2-NH1 3.96Å; D75-R79 PolarHBondContact OD2-NH1 3.21Å; F76-R79 CarbonylContact O-C 3.49Å; F76-R79 PolarHBondContact O-N 2.98Å; F76-R79 VanDerWaalsContact O-N 3.14Å; R77-R79 PolarHBondContact O-N 2.85Å; R79-N81 PolarHBondContact O-N 3.04Å; R79-N81 VanDerWaalsContact O-N 3.08Å; R79-E82 HydrophobicContact CB-CB 4.42Å; R79-E82 HydrophobicContact CB-CG 4.07Å; R79-E82 WeakPolarHBondContact CB-OE2 3.29Å; R79-E82 VanDerWaalsContact CG-CD 3.47Å; R79-E82 HydrophobicContact CG-CG 4.4Å; R79-E82 WeakPolarHBondContact CG-OE1 3.26Å; R79-E82 WeakPolarHBondContact CG-OE2 3.42Å; R79-E82 IonicContact CZ-OE2 2.94Å; R79-E82 IonicContact NE-OE2 3.63Å; R79-E82 PolarHBondContact NE-OE2 2.95Å; R79-E82 IonicContact NH2-OE2 3.8Å; R79-E82 WeakPolarHBondContact O-CB 3.35Å; R79-E82 PolarHBondContact O-N 2.92Å |
| 80 | I | 91.3 | Very high | 78.5 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.9 | -176.6 | -163.5 | 170.6 | 0 | 0 | 0 | 113.6 | L71 F76 R77 P95 L111 Q114 A116 | L71-I80 HydrophobicContact CD1-CD1 4.26Å; L71-I80 HydrophobicContact CD2-CB 4.49Å; L71-I80 HydrophobicContact CD2-CD1 4.12Å; L71-I80 HydrophobicContact CD2-CG1 4.33Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.14Å; R77-I80 WeakPolarHBondContact O-CG2 3.39Å; R77-I80 PolarHBondContact O-N 3.28Å; I80-P95 VanDerWaalsContact O-CD 3.29Å; I80-P95 WeakPolarHBondContact O-CD 3.4Å; I80-L111 HydrophobicContact CD1-CD2 4.33Å; I80-L111 HydrophobicContact CG1-CD2 4.36Å; I80-Q114 HydrophobicContact CD1-CB 3.65Å; I80-A116 HydrophobicContact CD1-CB 4.07Å; I80-A116 HydrophobicContact CG1-CB 4.13Å |
| 81 | N | 91.5 | Very high | 77.2 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.4 | 178.9 | -69.6 | -25.3 | 0 | 0 | 0 | 113.6 | R79 A116 E117 L120 | R79-N81 PolarHBondContact O-N 3.04Å; R79-N81 VanDerWaalsContact O-N 3.08Å; N81-A116 WeakPolarHBondContact OD1-CA 3.1Å; N81-E117 WeakPolarHBondContact ND2-CG 3.09Å; N81-E117 PolarHBondContact ND2-OE1 3.39Å; N81-E117 PolarHBondContact OD1-N 3.42Å; N81-L120 HydrophobicContact CB-CD1 3.77Å |
| 82 | E | 86.9 | Confident | 76.2 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | trans | -69.6 | 138.8 | 179.8 | -72.5 | -176.1 | 172.7 | 0 | 0 | 111.7 | H56 R79 | H56-E82 PolarHBondContact NE2-O 3.27Å; H56-E82 VanDerWaalsContact NE2-O 3.15Å; R79-E82 HydrophobicContact CB-CB 4.42Å; R79-E82 HydrophobicContact CB-CG 4.07Å; R79-E82 WeakPolarHBondContact CB-OE2 3.29Å; R79-E82 VanDerWaalsContact CG-CD 3.47Å; R79-E82 HydrophobicContact CG-CG 4.4Å; R79-E82 WeakPolarHBondContact CG-OE1 3.26Å; R79-E82 WeakPolarHBondContact CG-OE2 3.42Å; R79-E82 IonicContact CZ-OE2 2.94Å; R79-E82 IonicContact NE-OE2 3.63Å; R79-E82 PolarHBondContact NE-OE2 2.95Å; R79-E82 IonicContact NH2-OE2 3.8Å; R79-E82 WeakPolarHBondContact O-CB 3.35Å; R79-E82 PolarHBondContact O-N 2.92Å | ||
| 83 | K | 82.4 | Confident | 75.7 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | trans | -92 | 114 | 175.7 | -63.7 | 175.9 | -176 | 173.5 | 0 | 108.2 | P92 C93 T94 V121 | K83-P92 HydrophobicContact CB-CB 3.85Å; K83-C93 WeakPolarHBondContact CA-O 3.41Å; K83-T94 HydrophobicContact CG-CG2 4.1Å; K83-V121 WeakPolarHBondContact CE-O 3.49Å; K83-V121 PolarHBondContact NZ-O 3.21Å | ||
| 84 | S | 72.5 | Confident | 75.7 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 146.7 | 175.5 | 70 | 0 | 0 | 0 | 0 | 111 | H56 W86 P92 C93 | H56-S84 PolarHBondContact CD2-OG 2.95Å; H56-S84 PolarHBondContact CE1-OG 2.96Å; H56-S84 PolarHBondContact ND1-OG 3.45Å; H56-S84 PolarHBondContact NE2-OG 3.21Å; S84-W86 PolarHBondContact O-N 3.41Å; S84-W86 VanDerWaalsContact O-N 3.14Å; S84-P92 WeakPolarHBondContact O-CA 3.42Å; S84-C93 PolarHBondContact N-O 3.44Å; S84-C93 PolarHBondContact O-N 2.96Å |
| 85 | V | 63.8 | Low | 75.9 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | trans | -75.5 | 98.4 | 173 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | P92 | V85-P92 HydrophobicContact CG2-CG 3.91Š| ||
| 86 | W | 54.6 | Low | 76.3 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | trans | -73.3 | 139.1 | 178.5 | -173.3 | 67.1 | 0 | 0 | 0 | 111.2 | N57 Y60 S84 C88 C90 | N57-W86 PolarHBondContact OD1-NE1 3.07Å; Y60-W86 HydrophobicContact CD1-CH2 4.07Å; Y60-W86 AromaticContact CD1-CZ2 3.58Å; Y60-W86 HydrophobicContact CD1-CZ2 3.58Å; Y60-W86 AromaticContact CD2-CH2 3.72Å; Y60-W86 HydrophobicContact CD2-CH2 3.72Å; Y60-W86 AromaticContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ3 4.37Å; Y60-W86 AromaticContact CE1-CH2 3.76Å; Y60-W86 HydrophobicContact CE1-CH2 3.76Å; Y60-W86 AromaticContact CE1-CZ2 3.65Å; Y60-W86 HydrophobicContact CE1-CZ2 3.65Å; Y60-W86 AromaticContact CE2-CH2 3.37Å; Y60-W86 HydrophobicContact CE2-CH2 3.37Å; Y60-W86 AromaticContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ3 4.07Å; Y60-W86 HydrophobicContact CG-CH2 4.05Å; Y60-W86 AromaticContact CG-CZ2 3.65Å; Y60-W86 HydrophobicContact CG-CZ2 3.65Å; Y60-W86 AromaticContact CZ-CH2 3.39Å; Y60-W86 AromaticContact CZ-CZ2 3.8Å; S84-W86 PolarHBondContact O-N 3.41Å; S84-W86 VanDerWaalsContact O-N 3.14Å; W86-C88 HydrophobicContact CD2-CB 4.39Å; W86-C88 HydrophobicContact CE3-CB 3.55Å; W86-C88 HydrophobicContact CH2-CB 3.99Å; W86-C88 WeakPolarHBondContact CH2-SG 3.42Å; W86-C88 WeakPolarHBondContact CZ2-SG 3.31Å; W86-C88 HydrophobicContact CZ3-CB 3.34Å; W86-C88 WeakPolarHBondContact CZ3-SG 3.34Å; W86-C88 PolarHBondContact O-N 3.38Å; W86-C90 HydrophobicContact CE3-CB 4.07Å | ||
| 87 | C | 45.3 | Very low | 76.5 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 76% | 0.764 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 9.1 | -164.6 | -67.6 | 0 | 0 | 0 | 0 | 118 | ||
| 88 | C | 46.5 | Very low | 76.6 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 51% | 0.514 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 24.1 | -173.5 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | W86 C90 | W86-C88 HydrophobicContact CD2-CB 4.39Å; W86-C88 HydrophobicContact CE3-CB 3.55Å; W86-C88 HydrophobicContact CH2-CB 3.99Å; W86-C88 WeakPolarHBondContact CH2-SG 3.42Å; W86-C88 WeakPolarHBondContact CZ2-SG 3.31Å; W86-C88 HydrophobicContact CZ3-CB 3.34Å; W86-C88 WeakPolarHBondContact CZ3-SG 3.34Å; W86-C88 PolarHBondContact O-N 3.38Å; C88-C90 PolarHBondContact O-N 3.44Å |
| 89 | G | 51.9 | Low | 77 | Confident | 73 Ų | 73 | 36.1 Ų | 36.1 | 75% | 0.753 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 16.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 90 | C | 54.3 | Low | 77.4 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 144.5 | 173.9 | -69.7 | 0 | 0 | 0 | 0 | 109.5 | W86 C88 | W86-C90 HydrophobicContact CE3-CB 4.07Å; C88-C90 PolarHBondContact O-N 3.44Å |
| 91 | L | 66.6 | Low | 77.6 | Confident | 42 Ų | 42 | 36.1 Ų | 36.1 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -66 | 155.6 | 178.6 | -63 | 158.9 | 0 | 0 | 0 | 110.7 | L39 C93 V123 K124 | L39-L91 HydrophobicContact CD2-CD2 4.39Å; L91-C93 PolarHBondContact O-N 3.48Å; L91-C93 PolarHBondContact O-SG 2.99Å; L91-V123 HydrophobicContact CB-CG2 3.41Å; L91-V123 VanDerWaalsContact CB-CG2 3.41Å; L91-V123 HydrophobicContact CD1-CG2 3.48Å; L91-V123 VanDerWaalsContact CD1-CG2 3.48Å; L91-V123 HydrophobicContact CD2-CG2 3.42Å; L91-V123 VanDerWaalsContact CD2-CG2 3.42Å; L91-V123 HydrophobicContact CG-CG2 3.55Å; L91-K124 HydrophobicContact CD1-CB 4.43Å; L91-K124 HydrophobicContact CD1-CD 3.52Å; L91-K124 VanDerWaalsContact CD1-CE 3.41Å; L91-K124 HydrophobicContact CD1-CG 3.64Å |
| 92 | P | 74.6 | Confident | 77.8 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -48.3 | 126.2 | 177.3 | -25.1 | 28.6 | 0 | 0 | 0 | 112.6 | K83 S84 V85 V123 | K83-P92 HydrophobicContact CB-CB 3.85Å; S84-P92 WeakPolarHBondContact O-CA 3.42Å; V85-P92 HydrophobicContact CG2-CG 3.91Å; P92-V123 HydrophobicContact CB-CG1 4.26Å; P92-V123 HydrophobicContact CG-CG1 3.98Å |
| 93 | C | 82.3 | Confident | 78.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -148 | 158.4 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | H56 K83 S84 L91 R97 I98 | H56-C93 PolarHBondContact CD2-O 2.92Å; H56-C93 VanDerWaalsContact CD2-O 3.24Å; H56-C93 PolarHBondContact NE2-O 3.38Å; H56-C93 VanDerWaalsContact NE2-O 3.12Å; K83-C93 WeakPolarHBondContact CA-O 3.41Å; S84-C93 PolarHBondContact N-O 3.44Å; S84-C93 PolarHBondContact O-N 2.96Å; L91-C93 PolarHBondContact O-N 3.48Å; L91-C93 PolarHBondContact O-SG 2.99Å; C93-R97 PolarHBondContact SG-NH2 3.26Å; C93-I98 VanDerWaalsContact SG-CG1 3.54Å |
| 94 | T | 91.4 | Very high | 79 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | trans | -82.2 | 155 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | K83 L96 R97 I98 L120 | K83-T94 HydrophobicContact CG-CG2 4.1Å; T94-L96 PolarHBondContact O-N 2.9Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 PolarHBondContact OG1-N 3.08Å; T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.05Å; T94-I98 VanDerWaalsContact O-N 3.08Å; T94-L120 HydrophobicContact CG2-CB 4.3Å; T94-L120 HydrophobicContact CG2-CD1 3.87Å | ||
| 95 | P | 93.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.3 | -39.1 | 173.4 | -22.7 | 33.1 | 0 | 0 | 0 | 112.2 | L55 H56 A59 I80 R97 I98 A99 L111 | L55-P95 HydrophobicContact CD2-CB 4.45Å; L55-P95 HydrophobicContact CD2-CG 3.68Å; L55-P95 HydrophobicContact CG-CB 4.21Å; L55-P95 HydrophobicContact CG-CG 3.84Å; H56-P95 WeakPolarHBondContact NE2-CD 3.47Å; A59-P95 HydrophobicContact CB-CB 3.98Å; A59-P95 WeakPolarHBondContact CB-O 3.49Å; I80-P95 VanDerWaalsContact O-CD 3.29Å; I80-P95 WeakPolarHBondContact O-CD 3.4Å; P95-R97 PolarHBondContact O-N 3.07Å; P95-I98 PolarHBondContact O-N 2.59Å; P95-A99 PolarHBondContact O-N 3.4Å; P95-L111 HydrophobicContact CB-CD1 4.12Å; P95-L111 HydrophobicContact CB-CD2 4.2Å |
| 96 | L | 96.8 | Very high | 81.9 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 177.4 | 179.5 | 63.1 | 0 | 0 | 0 | 111.9 | T94 I98 A99 A100 V108 L111 I112 A116 A128 L144 | T94-L96 PolarHBondContact O-N 2.9Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.29Å; L96-A99 PolarHBondContact O-N 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.48Å; L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; L96-L111 HydrophobicContact CD1-CB 4.16Å; L96-I112 HydrophobicContact CD1-CD1 4.19Å; L96-I112 HydrophobicContact CD1-CG1 3.77Å; L96-I112 HydrophobicContact CD2-CG1 4.21Å; L96-A116 HydrophobicContact CB-CB 4.13Å; L96-A116 HydrophobicContact CD2-CB 4.03Å; L96-A128 HydrophobicContact CD2-CB 4.38Å; L96-A128 HydrophobicContact CG-CB 4.1Å; L96-L144 HydrophobicContact CD1-CD2 4.32Å; L96-L144 HydrophobicContact CD2-CD2 4.37Å; L96-L144 HydrophobicContact CG-CD2 4.5Å |
| 97 | R | 92.9 | Very high | 84 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.3 | -166.4 | -153.4 | 73.1 | 114.1 | 6.9 | 111.3 | C93 T94 P95 A100 T101 D122 A128 V131 | C93-R97 PolarHBondContact SG-NH2 3.26Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 PolarHBondContact OG1-N 3.08Å; P95-R97 PolarHBondContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.24Å; R97-T101 WeakPolarHBondContact O-CB 3.33Å; R97-T101 PolarHBondContact O-N 3.47Å; R97-T101 PolarHBondContact O-OG1 3.17Å; R97-D122 IonicContact CZ-OD2 3.52Å; R97-D122 IonicContact NH1-OD2 3.56Å; R97-D122 PolarHBondContact NH1-OD2 3.47Å; R97-A128 HydrophobicContact CB-CB 4.44Å; R97-V131 HydrophobicContact CG-CG2 3.86Å |
| 98 | I | 92.9 | Very high | 86.6 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -52.1 | 176.7 | -69.9 | 175.7 | 0 | 0 | 0 | 110.6 | H56 A59 Y60 C93 T94 P95 L96 A100 T101 A102 | H56-I98 HydrophobicContact CB-CD1 3.7Å; A59-I98 HydrophobicContact CB-CB 4.44Å; A59-I98 HydrophobicContact CB-CG2 4.23Å; Y60-I98 HydrophobicContact CD2-CG2 4.14Å; Y60-I98 HydrophobicContact CG-CG2 4.35Å; C93-I98 VanDerWaalsContact SG-CG1 3.54Å; T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.05Å; T94-I98 VanDerWaalsContact O-N 3.08Å; P95-I98 PolarHBondContact O-N 2.59Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.29Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 2.97Å; I98-T101 WeakPolarHBondContact O-CB 3.29Å; I98-T101 PolarHBondContact O-N 2.93Å; I98-T101 VanDerWaalsContact O-N 3.11Å; I98-A102 PolarHBondContact O-N 3.31Å |
| 99 | A | 96.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A59 P95 L96 A102 G103 H104 C107 V108 L111 | A59-A99 HydrophobicContact CB-CB 4.25Å; A59-A99 WeakPolarHBondContact O-CA 3.15Å; P95-A99 PolarHBondContact O-N 3.4Å; L96-A99 PolarHBondContact O-N 3.23Å; A99-A102 PolarHBondContact O-N 3.08Å; A99-G103 PolarHBondContact O-N 3.2Å; A99-H104 HydrophobicContact CB-CB 4.49Å; A99-H104 PolarHBondContact O-N 3.12Å; A99-C107 HydrophobicContact CB-CB 3.93Å; A99-V108 HydrophobicContact CB-CG2 3.79Å; A99-L111 HydrophobicContact CB-CD1 4.06Å |
| 100 | A | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L96 R97 I98 A102 G103 V108 A128 V131 A132 H137 L144 | L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.48Å; R97-A100 PolarHBondContact O-N 3.24Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 2.97Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-G103 PolarHBondContact O-N 3.18Å; A100-V108 HydrophobicContact CB-CG2 4.12Å; A100-A128 HydrophobicContact CB-CB 4.01Å; A100-V131 HydrophobicContact CB-CG2 4.19Å; A100-A132 HydrophobicContact CB-CB 4.34Å; A100-H137 PolarHBondContact O-CD2 2.9Å; A100-L144 HydrophobicContact CB-CD1 4.11Å |
| 101 | T | 94.5 | Very high | 93.4 | Very high | 45 Ų | 45 | 19.8 Ų | 19.8 | 28% | 0.276 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.8 | -38 | 175.7 | -57 | 0 | 0 | 0 | 0 | 111.6 | R97 I98 V131 H137 | R97-T101 WeakPolarHBondContact O-CB 3.33Å; R97-T101 PolarHBondContact O-N 3.47Å; R97-T101 PolarHBondContact O-OG1 3.17Å; I98-T101 WeakPolarHBondContact O-CB 3.29Å; I98-T101 PolarHBondContact O-N 2.93Å; I98-T101 VanDerWaalsContact O-N 3.11Å; T101-V131 WeakPolarHBondContact OG1-CG2 3.33Å; T101-H137 PolarHBondContact O-NE2 3.23Å |
| 102 | A | 95.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 27% | 0.273 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -86.9 | -9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I98 A99 A100 H104 | I98-A102 PolarHBondContact O-N 3.31Å; A99-A102 PolarHBondContact O-N 3.08Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A102-H104 VanDerWaalsContact CB-CD2 3.48Å; A102-H104 WeakPolarHBondContact CB-CD2 3.44Å |
| 103 | G | 97.6 | Very high | 96 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 25% | 0.247 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 17.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A99 A100 A105 H137 C140 | A99-G103 PolarHBondContact O-N 3.2Å; A100-G103 PolarHBondContact O-N 3.18Å; G103-A105 VanDerWaalsContact C-N 3.35Å; G103-A105 PolarHBondContact O-N 3.4Å; G103-H137 WeakPolarHBondContact CA-CD2 3.43Å; G103-H137 PolarHBondContact N-CD2 2.97Å; G103-H137 PolarHBondContact N-NE2 3.38Å; G103-C140 VanDerWaalsContact C-SG 3.55Å |
| 104 | H | 98.4 | Very high | 96.7 | Very high | 54 Ų | 54 | 25 Ų | 25 | 25% | 0.25 | 17% | 0.166 | C | C | . | . | trans | -83.2 | 75.1 | -176.8 | -61.8 | -48.9 | 0 | 0 | 0 | 111.9 | A59 Y60 V61 G62 A99 A102 A106 C107 V108 | A59-H104 PolarHBondContact O-CD2 3.24Å; Y60-H104 PolarHBondContact O-CD2 3.01Å; Y60-H104 PolarHBondContact O-NE2 3Å; V61-H104 VanDerWaalsContact C-NE2 3.31Å; V61-H104 PolarHBondContact O-CE1 3.17Å; V61-H104 PolarHBondContact O-NE2 3.15Å; G62-H104 WeakPolarHBondContact CA-CD2 3.21Å; G62-H104 VanDerWaalsContact CA-CG 3.42Å; G62-H104 PolarHBondContact N-CD2 3.12Å; G62-H104 PolarHBondContact N-NE2 2.91Å; A99-H104 HydrophobicContact CB-CB 4.49Å; A99-H104 PolarHBondContact O-N 3.12Å; A102-H104 VanDerWaalsContact CB-CD2 3.48Å; A102-H104 WeakPolarHBondContact CB-CD2 3.44Å; H104-A106 VanDerWaalsContact C-N 3.29Å; H104-A106 PolarHBondContact O-N 2.83Å; H104-C107 HydrophobicContact CB-CB 3.9Å; H104-C107 WeakPolarHBondContact O-CA 3.23Å; H104-C107 WeakPolarHBondContact O-CB 3.49Å; H104-C107 PolarHBondContact O-N 3.08Å; H104-V108 PolarHBondContact O-N 2.71Å | ||
| 105 | A | 98.6 | Very high | 97 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.8 | -41.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | G103 C107 V108 A109 D139 I143 | G103-A105 VanDerWaalsContact C-N 3.35Å; G103-A105 PolarHBondContact O-N 3.4Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.37Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.65Å; A105-A109 PolarHBondContact O-N 2.72Å; A105-D139 HydrophobicContact CB-CB 3.86Å; A105-I143 HydrophobicContact CB-CD1 3.73Å; A105-I143 WeakPolarHBondContact O-CD1 2.88Å |
| 106 | A | 98.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 27.2 Ų | 27.2 | 51% | 0.512 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L64 H104 Y110 | L64-A106 HydrophobicContact CD2-CB 4.12Å; H104-A106 VanDerWaalsContact C-N 3.29Å; H104-A106 PolarHBondContact O-N 2.83Å; A106-Y110 WeakPolarHBondContact O-CB 3.41Å; A106-Y110 PolarHBondContact O-N 3.01Å |
| 107 | C | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111 | G62 L67 A99 H104 A105 Y110 L111 | G62-C107 VanDerWaalsContact C-SG 3.56Å; L67-C107 HydrophobicContact CD1-CB 3.64Å; L67-C107 VanDerWaalsContact CD1-SG 3.59Å; A99-C107 HydrophobicContact CB-CB 3.93Å; H104-C107 HydrophobicContact CB-CB 3.9Å; H104-C107 WeakPolarHBondContact O-CA 3.23Å; H104-C107 WeakPolarHBondContact O-CB 3.49Å; H104-C107 PolarHBondContact O-N 3.08Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.37Å; C107-Y110 PolarHBondContact O-N 3.06Å; C107-L111 WeakPolarHBondContact O-CB 3.47Å; C107-L111 WeakPolarHBondContact O-CD1 3.4Å; C107-L111 WeakPolarHBondContact O-CG 3.47Å; C107-L111 PolarHBondContact O-N 3.47Å |
| 108 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57 | -52.4 | 175 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L96 A99 A100 H104 A105 Y110 L111 I112 C140 I143 L144 | L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; A99-V108 HydrophobicContact CB-CG2 3.79Å; A100-V108 HydrophobicContact CB-CG2 4.12Å; H104-V108 PolarHBondContact O-N 2.71Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.65Å; V108-Y110 VanDerWaalsContact C-N 3.32Å; V108-Y110 PolarHBondContact O-N 3.15Å; V108-L111 PolarHBondContact O-N 3.34Å; V108-I112 HydrophobicContact CG1-CD1 3.86Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 3.01Å; V108-I112 VanDerWaalsContact O-N 3.09Å; V108-C140 HydrophobicContact CG2-CB 4.5Å; V108-I143 HydrophobicContact CG1-CB 4.39Å; V108-I143 HydrophobicContact CG1-CG2 3.82Å; V108-L144 HydrophobicContact CG1-CD2 4.01Å; V108-L144 HydrophobicContact CG1-CG 3.95Å |
| 109 | A | 98.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A105 A113 I143 | A105-A109 PolarHBondContact O-N 2.72Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.27Å; A109-I143 HydrophobicContact CB-CD1 4.24Å; A109-I143 HydrophobicContact CB-CG2 4.06Å |
| 110 | Y | 98.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -45.9 | 179.6 | -177.4 | -105.4 | 0 | 0 | 0 | 112.6 | L64 L67 R68 L71 A106 C107 V108 I112 A113 Q114 | L64-Y110 HydrophobicContact CD1-CD1 4.06Å; L64-Y110 HydrophobicContact CD1-CD2 4.46Å; L64-Y110 HydrophobicContact CD1-CG 3.76Å; L67-Y110 HydrophobicContact CB-CD1 4.18Å; L67-Y110 HydrophobicContact CB-CE1 4.28Å; R68-Y110 WeakPolarHBondContact CA-OH 3.41Å; R68-Y110 HydrophobicContact CB-CE1 4.49Å; R68-Y110 HydrophobicContact CG-CD1 4.43Å; R68-Y110 HydrophobicContact CG-CD2 4.27Å; R68-Y110 HydrophobicContact CG-CE1 3.91Å; R68-Y110 HydrophobicContact CG-CE2 3.74Å; L71-Y110 HydrophobicContact CB-CE1 4.43Å; L71-Y110 HydrophobicContact CD1-CD1 4.25Å; L71-Y110 HydrophobicContact CD1-CE1 3.66Å; A106-Y110 WeakPolarHBondContact O-CB 3.41Å; A106-Y110 PolarHBondContact O-N 3.01Å; C107-Y110 PolarHBondContact O-N 3.06Å; V108-Y110 VanDerWaalsContact C-N 3.32Å; V108-Y110 PolarHBondContact O-N 3.15Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 3.43Å; Y110-A113 WeakPolarHBondContact O-CB 3.43Å; Y110-A113 PolarHBondContact O-N 3.07Å; Y110-A113 VanDerWaalsContact O-N 3.12Å; Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 4.04Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.99Å |
| 111 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 179.2 | -72.7 | 166.8 | 0 | 0 | 0 | 111.5 | A59 L67 L71 I80 P95 L96 A99 C107 V108 Q114 G115 A116 | A59-L111 HydrophobicContact CB-CD1 4.35Å; L67-L111 HydrophobicContact CD1-CD1 4.34Å; L67-L111 HydrophobicContact CD1-CD2 4.47Å; L67-L111 HydrophobicContact CD1-CG 4.29Å; L67-L111 HydrophobicContact CD2-CD2 4.31Å; L71-L111 HydrophobicContact CD1-CD2 3.92Å; I80-L111 HydrophobicContact CD1-CD2 4.33Å; I80-L111 HydrophobicContact CG1-CD2 4.36Å; P95-L111 HydrophobicContact CB-CD1 4.12Å; P95-L111 HydrophobicContact CB-CD2 4.2Å; L96-L111 HydrophobicContact CD1-CB 4.16Å; A99-L111 HydrophobicContact CB-CD1 4.06Å; C107-L111 WeakPolarHBondContact O-CB 3.47Å; C107-L111 WeakPolarHBondContact O-CD1 3.4Å; C107-L111 WeakPolarHBondContact O-CG 3.47Å; C107-L111 PolarHBondContact O-N 3.47Å; V108-L111 PolarHBondContact O-N 3.34Å; L111-Q114 PolarHBondContact O-N 3.05Å; L111-G115 PolarHBondContact O-N 2.9Å; L111-A116 HydrophobicContact CB-CB 4.16Å; L111-A116 WeakPolarHBondContact O-CB 3.13Å; L111-A116 PolarHBondContact O-N 3.06Å |
| 112 | I | 98.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 174.1 | -66.9 | 167.2 | 0 | 0 | 0 | 110.6 | L96 V108 Y110 Q114 G115 V118 I143 L144 A147 | L96-I112 HydrophobicContact CD1-CD1 4.19Å; L96-I112 HydrophobicContact CD1-CG1 3.77Å; L96-I112 HydrophobicContact CD2-CG1 4.21Å; V108-I112 HydrophobicContact CG1-CD1 3.86Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 3.01Å; V108-I112 VanDerWaalsContact O-N 3.09Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 3.43Å; I112-Q114 PolarHBondContact O-N 2.88Å; I112-G115 PolarHBondContact O-N 2.89Å; I112-V118 HydrophobicContact CG1-CG2 4.33Å; I112-V118 HydrophobicContact CG2-CG2 4.49Å; I112-I143 HydrophobicContact CD1-CG2 3.89Å; I112-L144 HydrophobicContact CD1-CD2 3.97Å; I112-A147 HydrophobicContact CD1-CB 3.86Å; I112-A147 HydrophobicContact CG2-CB 3.76Å |
| 113 | A | 97.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 37.6 Ų | 37.6 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.9 | -24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A109 Y110 G115 | A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.27Å; Y110-A113 WeakPolarHBondContact O-CB 3.43Å; Y110-A113 PolarHBondContact O-N 3.07Å; Y110-A113 VanDerWaalsContact O-N 3.12Å; A113-G115 VanDerWaalsContact C-N 3.35Å |
| 114 | Q | 97.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 23% | 0.229 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.9 | 175.2 | -62.7 | -53.3 | -50.6 | 0 | 0 | 113.9 | L71 I80 Y110 L111 I112 | L71-Q114 HydrophobicContact CD1-CB 4.25Å; L71-Q114 HydrophobicContact CD1-CG 4.11Å; I80-Q114 HydrophobicContact CD1-CB 3.65Å; Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 4.04Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.99Å; L111-Q114 PolarHBondContact O-N 3.05Å; I112-Q114 PolarHBondContact O-N 2.88Å |
| 115 | G | 96 | Very high | 93.2 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | 19.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | L111 I112 A113 E117 | L111-G115 PolarHBondContact O-N 2.9Å; I112-G115 PolarHBondContact O-N 2.89Å; A113-G115 VanDerWaalsContact C-N 3.35Å; G115-E117 PolarHBondContact O-N 3.37Å |
| 116 | A | 97 | Very high | 92.6 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | trans | -62.8 | 130 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I80 N81 L96 L111 V118 | I80-A116 HydrophobicContact CD1-CB 4.07Å; I80-A116 HydrophobicContact CG1-CB 4.13Å; N81-A116 WeakPolarHBondContact OD1-CA 3.1Å; L96-A116 HydrophobicContact CB-CB 4.13Å; L96-A116 HydrophobicContact CD2-CB 4.03Å; L111-A116 HydrophobicContact CB-CB 4.16Å; L111-A116 WeakPolarHBondContact O-CB 3.13Å; L111-A116 PolarHBondContact O-N 3.06Å; A116-V118 PolarHBondContact O-N 2.89Å | ||
| 117 | E | 95.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | trans | -73.1 | 124.1 | 176.7 | -77.5 | 172.1 | -134 | 0 | 0 | 110.9 | N81 G115 L120 | N81-E117 WeakPolarHBondContact ND2-CG 3.09Å; N81-E117 PolarHBondContact ND2-OE1 3.39Å; N81-E117 PolarHBondContact OD1-N 3.42Å; G115-E117 PolarHBondContact O-N 3.37Å; E117-L120 HydrophobicContact CB-CD1 3.68Å; E117-L120 HydrophobicContact CB-CD2 4.47Å; E117-L120 HydrophobicContact CB-CG 3.62Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.4Å | ||
| 118 | V | 95 | Very high | 92.2 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -37.2 | -166.8 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | I112 A116 L144 A147 A149 | I112-V118 HydrophobicContact CG1-CG2 4.33Å; I112-V118 HydrophobicContact CG2-CG2 4.49Å; A116-V118 PolarHBondContact O-N 2.89Å; V118-L144 HydrophobicContact CG1-CD2 3.88Å; V118-A147 HydrophobicContact CG2-CB 4.11Å; V118-A149 HydrophobicContact CG1-CB 3.48Å; V118-A149 VanDerWaalsContact CG1-CB 3.48Å |
| 119 | D | 93.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 16.1 | -173.4 | -72.4 | -35.4 | 0 | 0 | 0 | 114 | V121 A149 D150 | D119-V121 PolarHBondContact O-N 3.38Å; D119-A149 WeakPolarHBondContact OD1-CA 3.45Å; D119-D150 PolarHBondContact OD1-N 3.08Å; D119-D150 VanDerWaalsContact OD1-N 3.07Å; D119-D150 PolarHBondContact OD2-N 2.95Å; D119-D150 VanDerWaalsContact OD2-N 3.17Å |
| 120 | L | 90.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -61.5 | 129.8 | 171.6 | -75 | 178.9 | 0 | 0 | 0 | 110.7 | N81 T94 E117 | N81-L120 HydrophobicContact CB-CD1 3.77Å; T94-L120 HydrophobicContact CG2-CB 4.3Å; T94-L120 HydrophobicContact CG2-CD1 3.87Å; E117-L120 HydrophobicContact CB-CD1 3.68Å; E117-L120 HydrophobicContact CB-CD2 4.47Å; E117-L120 HydrophobicContact CB-CG 3.62Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.4Å | ||
| 121 | V | 86.6 | Confident | 91.6 | Very high | 37 Ų | 37 | 34 Ų | 34 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -96.9 | 142.4 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | K83 D119 Q126 T127 | K83-V121 WeakPolarHBondContact CE-O 3.49Å; K83-V121 PolarHBondContact NZ-O 3.21Å; D119-V121 PolarHBondContact O-N 3.38Å; V121-Q126 WeakPolarHBondContact CA-O 3.39Å; V121-T127 HydrophobicContact CG1-CG2 3.84Å | ||
| 122 | D | 81.1 | Confident | 91.5 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | -73.1 | -178.6 | 166.6 | 70.3 | 9.9 | 0 | 0 | 0 | 111.8 | R97 K124 G125 Q126 | R97-D122 IonicContact CZ-OD2 3.52Å; R97-D122 IonicContact NH1-OD2 3.56Å; R97-D122 PolarHBondContact NH1-OD2 3.47Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 VanDerWaalsContact O-N 3.14Å; D122-K124 VanDerWaalsContact OD1-CA 3.3Å; D122-K124 WeakPolarHBondContact OD1-CA 3.26Å; D122-K124 WeakPolarHBondContact OD1-CB 3.46Å; D122-K124 PolarHBondContact OD1-N 2.9Å; D122-G125 WeakPolarHBondContact O-CA 2.88Å; D122-G125 PolarHBondContact O-N 2.9Å; D122-G125 PolarHBondContact OD1-N 3.27Å; D122-Q126 PolarHBondContact N-O 3.4Å; D122-Q126 WeakPolarHBondContact OD1-CB 3.4Å; D122-Q126 PolarHBondContact OD1-N 3.32Å | ||
| 123 | V | 77.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 32.5 Ų | 32.5 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.3 | -179.9 | -47.8 | 0 | 0 | 0 | 0 | 113.4 | L91 P92 G125 | L91-V123 HydrophobicContact CB-CG2 3.41Å; L91-V123 VanDerWaalsContact CB-CG2 3.41Å; L91-V123 HydrophobicContact CD1-CG2 3.48Å; L91-V123 VanDerWaalsContact CD1-CG2 3.48Å; L91-V123 HydrophobicContact CD2-CG2 3.42Å; L91-V123 VanDerWaalsContact CD2-CG2 3.42Å; L91-V123 HydrophobicContact CG-CG2 3.55Å; P92-V123 HydrophobicContact CB-CG1 4.26Å; P92-V123 HydrophobicContact CG-CG1 3.98Å; V123-G125 VanDerWaalsContact C-N 3.33Å |
| 124 | K | 77.7 | Confident | 91.1 | Very high | 110 Ų | 110 | 31.9 Ų | 31.9 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.9 | 171.3 | -95.9 | 173.3 | -176.2 | 170.6 | 0 | 110.9 | L91 D122 Q126 H156 | L91-K124 HydrophobicContact CD1-CB 4.43Å; L91-K124 HydrophobicContact CD1-CD 3.52Å; L91-K124 VanDerWaalsContact CD1-CE 3.41Å; L91-K124 HydrophobicContact CD1-CG 3.64Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 VanDerWaalsContact O-N 3.14Å; D122-K124 VanDerWaalsContact OD1-CA 3.3Å; D122-K124 WeakPolarHBondContact OD1-CA 3.26Å; D122-K124 WeakPolarHBondContact OD1-CB 3.46Å; D122-K124 PolarHBondContact OD1-N 2.9Å; K124-Q126 HydrophobicContact CB-CG 4.08Å; K124-H156 VanDerWaalsContact O-CA 3.22Å; K124-H156 WeakPolarHBondContact O-CA 3.46Å; K124-H156 WeakPolarHBondContact O-CB 3.14Å; K124-H156 PolarHBondContact O-CD2 3.02Å |
| 125 | G | 83.4 | Confident | 91 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 86.8 | 16.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D122 V123 R155 H156 | D122-G125 WeakPolarHBondContact O-CA 2.88Å; D122-G125 PolarHBondContact O-N 2.9Å; D122-G125 PolarHBondContact OD1-N 3.27Å; V123-G125 VanDerWaalsContact C-N 3.33Å; G125-R155 PolarHBondContact O-N 2.91Å; G125-H156 PolarHBondContact O-N 2.9Å |
| 126 | Q | 86.5 | Confident | 90.9 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -95.9 | 132.9 | -176.8 | -60.5 | 176.8 | -15 | 0 | 0 | 110.9 | V121 D122 K124 Y130 V131 H156 | V121-Q126 WeakPolarHBondContact CA-O 3.39Å; D122-Q126 PolarHBondContact N-O 3.4Å; D122-Q126 WeakPolarHBondContact OD1-CB 3.4Å; D122-Q126 PolarHBondContact OD1-N 3.32Å; K124-Q126 HydrophobicContact CB-CG 4.08Å; Q126-Y130 HydrophobicContact CB-CD1 3.78Å; Q126-Y130 HydrophobicContact CB-CE1 4.29Å; Q126-Y130 HydrophobicContact CB-CG 4.39Å; Q126-Y130 VanDerWaalsContact CD-CE1 3.43Å; Q126-Y130 HydrophobicContact CG-CD1 3.68Å; Q126-Y130 HydrophobicContact CG-CE1 3.68Å; Q126-Y130 HydrophobicContact CG-CG 4.45Å; Q126-Y130 VanDerWaalsContact NE2-CE1 3.35Å; Q126-V131 HydrophobicContact CB-CG1 4.34Å; Q126-H156 HydrophobicContact CG-CB 3.67Å; Q126-H156 PolarHBondContact NE2-CD2 3.34Å; Q126-H156 PolarHBondContact NE2-NE2 3.28Å |
| 127 | T | 92.3 | Very high | 91 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | trans | -84.1 | 168.6 | 174.8 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | V121 L129 Y130 V131 G153 | V121-T127 HydrophobicContact CG1-CG2 3.84Å; T127-L129 VanDerWaalsContact C-N 3.26Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 PolarHBondContact OG1-N 3.15Å; T127-Y130 PolarHBondContact O-N 2.92Å; T127-Y130 WeakPolarHBondContact OG1-CB 3.43Å; T127-Y130 PolarHBondContact OG1-N 3Å; T127-V131 PolarHBondContact O-N 3.01Å; T127-G153 WeakPolarHBondContact CG2-O 3.4Å; T127-G153 PolarHBondContact OG1-O 2.85Å | ||
| 128 | A | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | L96 R97 A100 V131 A132 L144 | L96-A128 HydrophobicContact CD2-CB 4.38Å; L96-A128 HydrophobicContact CG-CB 4.1Å; R97-A128 HydrophobicContact CB-CB 4.44Å; A100-A128 HydrophobicContact CB-CB 4.01Å; A128-V131 WeakPolarHBondContact O-CG2 3.28Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-A132 VanDerWaalsContact O-N 3.08Å; A128-L144 HydrophobicContact CB-CD1 4.12Å; A128-L144 HydrophobicContact CB-CD2 3.93Å |
| 129 | L | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 176.7 | 178.8 | 67.7 | 0 | 0 | 0 | 111.3 | T127 V131 A132 V133 V141 L144 L145 A149 D150 L177 | T127-L129 VanDerWaalsContact C-N 3.26Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 PolarHBondContact OG1-N 3.15Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.47Å; L129-A132 PolarHBondContact O-N 2.99Å; L129-V133 HydrophobicContact CD1-CG2 4.39Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.39Å; L129-V141 HydrophobicContact CD1-CB 4.38Å; L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD1-CG2 4.42Å; L129-L144 HydrophobicContact CB-CD1 4.43Å; L129-L144 HydrophobicContact CD1-CB 4.12Å; L129-L145 HydrophobicContact CD1-CD2 4.1Å; L129-L145 HydrophobicContact CD1-CG 3.92Å; L129-L145 HydrophobicContact CD2-CD2 3.75Å; L129-L145 HydrophobicContact CD2-CG 4.48Å; L129-A149 HydrophobicContact CB-CB 4.23Å; L129-A149 HydrophobicContact CD2-CB 4.13Å; L129-D150 VanDerWaalsContact CD2-O 3.24Å; L129-D150 WeakPolarHBondContact CD2-O 3.22Å; L129-L177 HydrophobicContact CD2-CD2 4.28Å |
| 130 | Y | 93.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | -179 | 177.3 | -85.4 | 0 | 0 | 0 | 111.9 | Q126 T127 V133 V134 S159 P161 H164 | Q126-Y130 HydrophobicContact CB-CD1 3.78Å; Q126-Y130 HydrophobicContact CB-CE1 4.29Å; Q126-Y130 HydrophobicContact CB-CG 4.39Å; Q126-Y130 VanDerWaalsContact CD-CE1 3.43Å; Q126-Y130 HydrophobicContact CG-CD1 3.68Å; Q126-Y130 HydrophobicContact CG-CE1 3.68Å; Q126-Y130 HydrophobicContact CG-CG 4.45Å; Q126-Y130 VanDerWaalsContact NE2-CE1 3.35Å; T127-Y130 PolarHBondContact O-N 2.92Å; T127-Y130 WeakPolarHBondContact OG1-CB 3.43Å; T127-Y130 PolarHBondContact OG1-N 3Å; Y130-V133 PolarHBondContact O-N 3.37Å; Y130-V134 HydrophobicContact CD1-CG2 3.97Å; Y130-V134 HydrophobicContact CE1-CG2 3.54Å; Y130-V134 HydrophobicContact CE2-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CG2 3.46Å; Y130-V134 PolarHBondContact O-N 3.16Å; Y130-S159 PolarHBondContact OH-OG 2.85Å; Y130-P161 HydrophobicContact CD2-CG 4.2Å; Y130-H164 AromaticContact CE2-CD2 3.4Å; Y130-H164 VanDerWaalsContact CE2-CD2 3.4Å; Y130-H164 WeakPolarHBondContact CE2-CD2 3.09Å; Y130-H164 AromaticContact CE2-NE2 3.68Å; Y130-H164 AromaticContact CZ-CD2 3.68Å; Y130-H164 AromaticContact CZ-NE2 3.57Å; Y130-H164 PolarHBondContact OH-CD2 3.02Å; Y130-H164 PolarHBondContact OH-CE1 3.37Å; Y130-H164 PolarHBondContact OH-NE2 2.93Å |
| 131 | V | 93.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70 | -33.8 | 180 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | R97 A100 T101 Q126 T127 A128 L129 V133 V134 N135 | R97-V131 HydrophobicContact CG-CG2 3.86Å; A100-V131 HydrophobicContact CB-CG2 4.19Å; T101-V131 WeakPolarHBondContact OG1-CG2 3.33Å; Q126-V131 HydrophobicContact CB-CG1 4.34Å; T127-V131 PolarHBondContact O-N 3.01Å; A128-V131 WeakPolarHBondContact O-CG2 3.28Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.47Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.18Å; V131-V134 PolarHBondContact O-N 3.2Å; V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.99Å; V131-N135 VanDerWaalsContact O-N 3.07Å; V131-N135 PolarHBondContact O-ND2 2.97Å |
| 132 | A | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A100 A128 L129 G136 H137 C140 V141 L144 | A100-A132 HydrophobicContact CB-CB 4.34Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-A132 VanDerWaalsContact O-N 3.08Å; L129-A132 PolarHBondContact O-N 2.99Å; A132-G136 PolarHBondContact O-N 3.48Å; A132-H137 PolarHBondContact O-N 3.45Å; A132-C140 HydrophobicContact CB-CB 3.85Å; A132-V141 HydrophobicContact CB-CG2 3.84Å; A132-L144 HydrophobicContact CB-CD1 4.1Å |
| 133 | V | 96.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | L129 Y130 V131 N135 G136 V141 P161 H164 A165 V173 L177 | L129-V133 HydrophobicContact CD1-CG2 4.39Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.39Å; Y130-V133 PolarHBondContact O-N 3.37Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.18Å; V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 3.49Å; V133-G136 PolarHBondContact O-N 3.02Å; V133-V141 HydrophobicContact CB-CG2 4.48Å; V133-V141 HydrophobicContact CG2-CG1 4.35Å; V133-V141 HydrophobicContact CG2-CG2 3.58Å; V133-P161 HydrophobicContact CB-CB 4.2Å; V133-P161 HydrophobicContact CG1-CB 4.15Å; V133-P161 VanDerWaalsContact CG1-O 3.29Å; V133-P161 WeakPolarHBondContact CG1-O 3.33Å; V133-P161 HydrophobicContact CG2-CB 3.96Å; V133-H164 HydrophobicContact CG1-CB 4.4Å; V133-A165 HydrophobicContact CG1-CB 4.16Å; V133-V173 HydrophobicContact CB-CG1 4.21Å; V133-V173 HydrophobicContact CG1-CG1 3.86Å; V133-V173 HydrophobicContact CG2-CG1 3.72Å; V133-L177 HydrophobicContact CG1-CD1 4.43Å; V133-L177 HydrophobicContact CG2-CD1 4.2Å; V133-L177 HydrophobicContact CG2-CD2 4.34Å |
| 134 | V | 92.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.9 | -37.3 | -179.6 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | Y130 V131 H164 | Y130-V134 HydrophobicContact CD1-CG2 3.97Å; Y130-V134 HydrophobicContact CE1-CG2 3.54Å; Y130-V134 HydrophobicContact CE2-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CG2 3.46Å; Y130-V134 PolarHBondContact O-N 3.16Å; V131-V134 PolarHBondContact O-N 3.2Å; V134-H164 HydrophobicContact CG2-CB 4.22Å |
| 135 | N | 94 | Very high | 95.3 | Very high | 82 Ų | 82 | 25.6 Ų | 25.6 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2 | 178.3 | -64.2 | -63.4 | 0 | 0 | 0 | 113.5 | V131 V133 H137 | V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.99Å; V131-N135 VanDerWaalsContact O-N 3.07Å; V131-N135 PolarHBondContact O-ND2 2.97Å; V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 3.49Å; N135-H137 VanDerWaalsContact CB-CD2 3.49Å; N135-H137 WeakPolarHBondContact CB-CD2 3.17Å; N135-H137 WeakPolarHBondContact CB-NE2 3.25Å |
| 136 | G | 95.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 24.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A132 V133 L138 | A132-G136 PolarHBondContact O-N 3.48Å; V133-G136 PolarHBondContact O-N 3.02Å; G136-L138 PolarHBondContact O-N 3.34Å; G136-L138 VanDerWaalsContact O-N 3.13Å |
| 137 | H | 98.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 32 Ų | 32 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | trans | -84.4 | 79.1 | -179.5 | -60.6 | -46.2 | 0 | 0 | 0 | 111.4 | A100 T101 G103 A132 N135 D139 C140 V141 | A100-H137 PolarHBondContact O-CD2 2.9Å; T101-H137 PolarHBondContact O-NE2 3.23Å; G103-H137 WeakPolarHBondContact CA-CD2 3.43Å; G103-H137 PolarHBondContact N-CD2 2.97Å; G103-H137 PolarHBondContact N-NE2 3.38Å; A132-H137 PolarHBondContact O-N 3.45Å; N135-H137 VanDerWaalsContact CB-CD2 3.49Å; N135-H137 WeakPolarHBondContact CB-CD2 3.17Å; N135-H137 WeakPolarHBondContact CB-NE2 3.25Å; H137-D139 VanDerWaalsContact C-N 3.32Å; H137-D139 PolarHBondContact O-N 2.95Å; H137-C140 HydrophobicContact CB-CB 4.05Å; H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 2.98Å; H137-C140 VanDerWaalsContact O-N 3.16Å; H137-V141 WeakPolarHBondContact O-CG2 3.35Å; H137-V141 PolarHBondContact O-N 3.37Å | ||
| 138 | L | 98.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -41.4 | -174.4 | -178.6 | 63.7 | 0 | 0 | 0 | 113.9 | G136 V141 R142 D172 V173 E176 | G136-L138 PolarHBondContact O-N 3.34Å; G136-L138 VanDerWaalsContact O-N 3.13Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-R142 PolarHBondContact O-N 3.33Å; L138-D172 HydrophobicContact CD1-CB 4.46Å; L138-D172 HydrophobicContact CD2-CB 4.05Å; L138-V173 HydrophobicContact CB-CG2 4.47Å; L138-V173 HydrophobicContact CD1-CG2 3.98Å; L138-E176 HydrophobicContact CD1-CG 3.86Å |
| 139 | D | 98.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 34.9 Ų | 34.9 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.7 | -40.2 | -179.1 | -64.1 | -31.3 | 0 | 0 | 0 | 111.6 | A105 H137 V141 R142 I143 | A105-D139 HydrophobicContact CB-CB 3.86Å; H137-D139 VanDerWaalsContact C-N 3.32Å; H137-D139 PolarHBondContact O-N 2.95Å; D139-V141 VanDerWaalsContact C-N 3.33Å; D139-V141 PolarHBondContact O-N 3.36Å; D139-R142 PolarHBondContact O-N 3.36Å; D139-I143 WeakPolarHBondContact O-CD1 3.47Å; D139-I143 VanDerWaalsContact O-CG1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.92Å |
| 140 | C | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 171.3 | -65 | 0 | 0 | 0 | 0 | 111.4 | G103 V108 A132 H137 R142 I143 L144 | G103-C140 VanDerWaalsContact C-SG 3.55Å; V108-C140 HydrophobicContact CG2-CB 4.5Å; A132-C140 HydrophobicContact CB-CB 3.85Å; H137-C140 HydrophobicContact CB-CB 4.05Å; H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 2.98Å; H137-C140 VanDerWaalsContact O-N 3.16Å; C140-R142 PolarHBondContact O-N 2.97Å; C140-I143 PolarHBondContact O-N 3.34Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CD1 3.36Å; C140-L144 WeakPolarHBondContact O-CG 3.2Å; C140-L144 PolarHBondContact O-N 3.48Å |
| 141 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L129 A132 V133 H137 L138 D139 L144 L145 V173 | L129-V141 HydrophobicContact CD1-CB 4.38Å; L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD1-CG2 4.42Å; A132-V141 HydrophobicContact CB-CG2 3.84Å; V133-V141 HydrophobicContact CB-CG2 4.48Å; V133-V141 HydrophobicContact CG2-CG1 4.35Å; V133-V141 HydrophobicContact CG2-CG2 3.58Å; H137-V141 WeakPolarHBondContact O-CG2 3.35Å; H137-V141 PolarHBondContact O-N 3.37Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.41Å; D139-V141 VanDerWaalsContact C-N 3.33Å; D139-V141 PolarHBondContact O-N 3.36Å; V141-L144 PolarHBondContact O-N 3.01Å; V141-L145 HydrophobicContact CG1-CD1 3.68Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.24Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.04Å; V141-V173 HydrophobicContact CG1-CG1 4.41Å; V141-V173 HydrophobicContact CG2-CG1 4.34Å |
| 142 | R | 98.7 | Very high | 96.4 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 178 | -74.7 | 175.2 | 170.6 | 158.2 | -1.4 | 111.9 | L138 D139 C140 L144 L145 E146 E176 | L138-R142 PolarHBondContact O-N 3.33Å; D139-R142 PolarHBondContact O-N 3.36Å; C140-R142 PolarHBondContact O-N 2.97Å; R142-L144 VanDerWaalsContact C-N 3.32Å; R142-L144 PolarHBondContact O-N 3.49Å; R142-L145 PolarHBondContact O-N 3.42Å; R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 VanDerWaalsContact O-CG 3.26Å; R142-E146 WeakPolarHBondContact O-CG 3.34Å; R142-E146 PolarHBondContact O-N 2.67Å; R142-E176 HydrophobicContact CG-CG 4.09Å; R142-E176 IonicContact CZ-OE1 3.88Å; R142-E176 IonicContact NE-OE1 3.93Å; R142-E176 PolarHBondContact NE-OE1 2.91Å; R142-E176 IonicContact NH2-OE1 3.2Å; R142-E176 PolarHBondContact NH2-OE1 3.44Å |
| 143 | I | 98.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | -179.4 | -68.3 | 162.5 | 0 | 0 | 0 | 111.1 | A105 V108 A109 I112 D139 C140 E146 A147 | A105-I143 HydrophobicContact CB-CD1 3.73Å; A105-I143 WeakPolarHBondContact O-CD1 2.88Å; V108-I143 HydrophobicContact CG1-CB 4.39Å; V108-I143 HydrophobicContact CG1-CG2 3.82Å; A109-I143 HydrophobicContact CB-CD1 4.24Å; A109-I143 HydrophobicContact CB-CG2 4.06Å; I112-I143 HydrophobicContact CD1-CG2 3.89Å; D139-I143 WeakPolarHBondContact O-CD1 3.47Å; D139-I143 VanDerWaalsContact O-CG1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.92Å; C140-I143 PolarHBondContact O-N 3.34Å; I143-E146 PolarHBondContact O-N 2.77Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 2.78Å |
| 144 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | -179.9 | -71.6 | 162.4 | 0 | 0 | 0 | 111.8 | L96 A100 V108 I112 V118 A128 L129 A132 C140 V141 R142 A147 G148 A149 | L96-L144 HydrophobicContact CD1-CD2 4.32Å; L96-L144 HydrophobicContact CD2-CD2 4.37Å; L96-L144 HydrophobicContact CG-CD2 4.5Å; A100-L144 HydrophobicContact CB-CD1 4.11Å; V108-L144 HydrophobicContact CG1-CD2 4.01Å; V108-L144 HydrophobicContact CG1-CG 3.95Å; I112-L144 HydrophobicContact CD1-CD2 3.97Å; V118-L144 HydrophobicContact CG1-CD2 3.88Å; A128-L144 HydrophobicContact CB-CD1 4.12Å; A128-L144 HydrophobicContact CB-CD2 3.93Å; L129-L144 HydrophobicContact CB-CD1 4.43Å; L129-L144 HydrophobicContact CD1-CB 4.12Å; A132-L144 HydrophobicContact CB-CD1 4.1Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CD1 3.36Å; C140-L144 WeakPolarHBondContact O-CG 3.2Å; C140-L144 PolarHBondContact O-N 3.48Å; V141-L144 PolarHBondContact O-N 3.01Å; R142-L144 VanDerWaalsContact C-N 3.32Å; R142-L144 PolarHBondContact O-N 3.49Å; L144-A147 CarbonylContact O-C 3.44Å; L144-A147 PolarHBondContact O-N 2.88Å; L144-G148 PolarHBondContact O-N 3.33Å; L144-A149 HydrophobicContact CB-CB 4.2Å; L144-A149 WeakPolarHBondContact O-CB 3.31Å; L144-A149 PolarHBondContact O-N 3.43Å |
| 145 | L | 98.3 | Very high | 93 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.7 | -71.2 | 171.6 | 0 | 0 | 0 | 112.2 | L129 V141 R142 A147 G148 P151 E176 L177 F180 | L129-L145 HydrophobicContact CD1-CD2 4.1Å; L129-L145 HydrophobicContact CD1-CG 3.92Å; L129-L145 HydrophobicContact CD2-CD2 3.75Å; L129-L145 HydrophobicContact CD2-CG 4.48Å; V141-L145 HydrophobicContact CG1-CD1 3.68Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.24Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.04Å; R142-L145 PolarHBondContact O-N 3.42Å; L145-A147 PolarHBondContact O-N 3.05Å; L145-G148 PolarHBondContact O-N 3.4Å; L145-P151 HydrophobicContact CD2-CB 3.94Å; L145-E176 HydrophobicContact CD1-CB 4.26Å; L145-L177 HydrophobicContact CD1-CD2 4.29Å; L145-L177 HydrophobicContact CD2-CD2 4.43Å; L145-F180 HydrophobicContact CB-CB 4.29Å; L145-F180 HydrophobicContact CB-CD1 3.8Å; L145-F180 HydrophobicContact CB-CD2 3.76Å; L145-F180 HydrophobicContact CB-CE1 3.96Å; L145-F180 HydrophobicContact CB-CE2 3.93Å; L145-F180 HydrophobicContact CB-CG 3.69Å; L145-F180 HydrophobicContact CB-CZ 4.03Å; L145-F180 HydrophobicContact CD1-CB 4.14Å; L145-F180 HydrophobicContact CD1-CD2 3.73Å; L145-F180 HydrophobicContact CD1-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CG 4.05Å; L145-F180 HydrophobicContact CD2-CB 3.87Å; L145-F180 HydrophobicContact CD2-CG 4.22Å; L145-F180 HydrophobicContact CG-CB 4.32Å; L145-F180 HydrophobicContact CG-CD2 4.27Å; L145-F180 HydrophobicContact CG-CG 4.2Å; L145-F180 WeakPolarHBondContact O-CE1 3.38Å |
| 146 | E | 98.4 | Very high | 91.7 | Very high | 128 Ų | 128 | 44.4 Ų | 44.4 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.8 | -31 | 174.6 | -73.8 | 172.3 | -179 | 0 | 0 | 112.2 | R142 I143 G148 F180 | R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 VanDerWaalsContact O-CG 3.26Å; R142-E146 WeakPolarHBondContact O-CG 3.34Å; R142-E146 PolarHBondContact O-N 2.67Å; I143-E146 PolarHBondContact O-N 2.77Å; E146-G148 PolarHBondContact O-N 3Å; E146-F180 HydrophobicContact CG-CE1 4.42Å; E146-F180 HydrophobicContact CG-CZ 3.76Å |
| 147 | A | 97.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I112 V118 I143 L144 L145 | I112-A147 HydrophobicContact CD1-CB 3.86Å; I112-A147 HydrophobicContact CG2-CB 3.76Å; V118-A147 HydrophobicContact CG2-CB 4.11Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 2.78Å; L144-A147 CarbonylContact O-C 3.44Å; L144-A147 PolarHBondContact O-N 2.88Å; L145-A147 PolarHBondContact O-N 3.05Å |
| 148 | G | 96.4 | Very high | 88.3 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 19.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L144 L145 E146 D150 | L144-G148 PolarHBondContact O-N 3.33Å; L145-G148 PolarHBondContact O-N 3.4Å; E146-G148 PolarHBondContact O-N 3Å; G148-D150 PolarHBondContact O-N 3.5Å |
| 149 | A | 96.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -52.9 | 139 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | V118 D119 L129 L144 P151 | V118-A149 HydrophobicContact CG1-CB 3.48Å; V118-A149 VanDerWaalsContact CG1-CB 3.48Å; D119-A149 WeakPolarHBondContact OD1-CA 3.45Å; L129-A149 HydrophobicContact CB-CB 4.23Å; L129-A149 HydrophobicContact CD2-CB 4.13Å; L144-A149 HydrophobicContact CB-CB 4.2Å; L144-A149 WeakPolarHBondContact O-CB 3.31Å; L144-A149 PolarHBondContact O-N 3.43Å; A149-P151 VanDerWaalsContact O-CD 3.29Å; A149-P151 WeakPolarHBondContact O-CD 3.35Å; A149-P151 VanDerWaalsContact O-N 3.14Å | ||
| 150 | D | 93.5 | Very high | 86.5 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | trans | -61.4 | 116.2 | 169.6 | 176.1 | 7.3 | 0 | 0 | 0 | 109.3 | D119 L129 G148 N152 G153 | D119-D150 PolarHBondContact OD1-N 3.08Å; D119-D150 VanDerWaalsContact OD1-N 3.07Å; D119-D150 PolarHBondContact OD2-N 2.95Å; D119-D150 VanDerWaalsContact OD2-N 3.17Å; L129-D150 VanDerWaalsContact CD2-O 3.24Å; L129-D150 WeakPolarHBondContact CD2-O 3.22Å; G148-D150 PolarHBondContact O-N 3.5Å; D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 3.11Å; D150-N152 PolarHBondContact OD1-ND2 2.7Å; D150-G153 WeakPolarHBondContact O-CA 3.48Å; D150-G153 PolarHBondContact O-N 3.43Å | ||
| 151 | P | 93.3 | Very high | 86.2 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.6 | -179.6 | 30.6 | -41.4 | 0 | 0 | 0 | 113.2 | L145 A149 F180 A182 | L145-P151 HydrophobicContact CD2-CB 3.94Å; A149-P151 VanDerWaalsContact O-CD 3.29Å; A149-P151 WeakPolarHBondContact O-CD 3.35Å; A149-P151 VanDerWaalsContact O-N 3.14Å; P151-F180 WeakPolarHBondContact CG-O 3.49Å; P151-A182 HydrophobicContact CB-CB 3.95Å |
| 152 | N | 87.8 | Confident | 86 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.7 | 175.3 | -51.3 | -69 | 0 | 0 | 0 | 112.5 | D150 S154 D183 M186 | D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 3.11Å; D150-N152 PolarHBondContact OD1-ND2 2.7Å; N152-S154 PolarHBondContact O-N 3.46Å; N152-D183 PolarHBondContact OD1-N 3.18Å; N152-M186 HydrophobicContact CB-CE 4Å; N152-M186 HydrophobicContact CB-CG 4.28Å; N152-M186 HydrophobicContact CB-SD 4.44Å; N152-M186 WeakPolarHBondContact OD1-CG 3.48Å |
| 153 | G | 74.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | trans | -59.6 | 94.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T127 D150 | T127-G153 WeakPolarHBondContact CG2-O 3.4Å; T127-G153 PolarHBondContact OG1-O 2.85Å; D150-G153 WeakPolarHBondContact O-CA 3.48Å; D150-G153 PolarHBondContact O-N 3.43Å | ||
| 154 | S | 73.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -165 | 123.3 | 166.2 | 171.5 | 0 | 0 | 0 | 0 | 108.6 | N152 H156 S159 H188 | N152-S154 PolarHBondContact O-N 3.46Å; S154-H156 VanDerWaalsContact C-N 3.35Å; S154-H156 PolarHBondContact OG-N 2.96Å; S154-S159 WeakPolarHBondContact CB-O 3.46Å; S154-S159 PolarHBondContact OG-O 3.18Å; S154-H188 PolarHBondContact O-CE1 3.33Å |
| 155 | R | 66.3 | Low | 85 | Confident | 217 Ų | 217 | 44.4 Ų | 44.4 | 82% | 0.819 | 22% | 0.224 | S | C | * | . | trans | -92.7 | -1.9 | 168 | -61.6 | -174.5 | -178 | -166.8 | 1.6 | 111.6 | G125 | G125-R155 PolarHBondContact O-N 2.91Š| ||
| 156 | H | 65.1 | Low | 84.8 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -78.5 | 128.6 | -176.9 | 179 | -90.4 | 0 | 0 | 0 | 111.9 | K124 G125 Q126 S154 R158 S159 | K124-H156 VanDerWaalsContact O-CA 3.22Å; K124-H156 WeakPolarHBondContact O-CA 3.46Å; K124-H156 WeakPolarHBondContact O-CB 3.14Å; K124-H156 PolarHBondContact O-CD2 3.02Å; G125-H156 PolarHBondContact O-N 2.9Å; Q126-H156 HydrophobicContact CG-CB 3.67Å; Q126-H156 PolarHBondContact NE2-CD2 3.34Å; Q126-H156 PolarHBondContact NE2-NE2 3.28Å; S154-H156 VanDerWaalsContact C-N 3.35Å; S154-H156 PolarHBondContact OG-N 2.96Å; H156-R158 PolarHBondContact O-N 3.09Å; H156-S159 PolarHBondContact O-N 3.41Å |
| 157 | H | 58.2 | Low | 84.5 | Confident | 150 Ų | 150 | 42.1 Ų | 42.1 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 26.3 | 166.2 | -65.7 | 72.5 | 0 | 0 | 0 | 116.7 | S159 | H157-S159 PolarHBondContact O-N 2.78Š|
| 158 | R | 65.1 | Low | 84.3 | Confident | 132 Ų | 132 | 44.1 Ų | 44.1 | 50% | 0.498 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 33.5 | -175.8 | -41.3 | 165.7 | -159.6 | -84.9 | -0.9 | 110.9 | H156 H188 Q189 V206 | H156-R158 PolarHBondContact O-N 3.09Å; R158-H188 HydrophobicContact CB-CB 4.09Å; R158-H188 HydrophobicContact CG-CB 4.47Å; R158-H188 PolarHBondContact O-CD2 2.95Å; R158-Q189 VanDerWaalsContact CD-NE2 3.25Å; R158-Q189 VanDerWaalsContact CZ-NE2 3.33Å; R158-V206 HydrophobicContact CB-CG2 4.12Å; R158-V206 VanDerWaalsContact O-CB 3.29Å; R158-V206 WeakPolarHBondContact O-CB 3.15Å; R158-V206 WeakPolarHBondContact O-CG1 3.2Å; R158-V206 WeakPolarHBondContact O-CG2 3.32Å |
| 159 | S | 73.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -112.3 | 129 | 177 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | Y130 S154 H156 H157 H164 V206 | Y130-S159 PolarHBondContact OH-OG 2.85Å; S154-S159 WeakPolarHBondContact CB-O 3.46Å; S154-S159 PolarHBondContact OG-O 3.18Å; H156-S159 PolarHBondContact O-N 3.41Å; H157-S159 PolarHBondContact O-N 2.78Å; S159-H164 WeakPolarHBondContact CB-NE2 3.43Å; S159-H164 PolarHBondContact OG-NE2 3.26Å; S159-V206 VanDerWaalsContact CA-CG1 3.49Å | ||
| 160 | T | 85.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -90.6 | 153.3 | 179.2 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | L162 Y163 H164 M186 H188 | T160-L162 PolarHBondContact O-N 3Å; T160-Y163 WeakPolarHBondContact O-CB 3.38Å; T160-Y163 PolarHBondContact O-N 2.96Å; T160-Y163 VanDerWaalsContact O-N 3.14Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.49Å; T160-Y163 PolarHBondContact OG1-N 3.07Å; T160-H164 PolarHBondContact O-CD2 3.35Å; T160-H164 PolarHBondContact O-N 2.89Å; T160-M186 HydrophobicContact CG2-CB 3.76Å; T160-M186 HydrophobicContact CG2-CG 4.18Å; T160-H188 WeakPolarHBondContact CG2-NE2 3.24Å | ||
| 161 | P | 92 | Very high | 84.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -51.8 | -41.3 | 169.5 | -24.5 | 33.4 | 0 | 0 | 0 | 111.9 | Y130 V133 Y163 H164 A165 L177 | Y130-P161 HydrophobicContact CD2-CG 4.2Å; V133-P161 HydrophobicContact CB-CB 4.2Å; V133-P161 HydrophobicContact CG1-CB 4.15Å; V133-P161 VanDerWaalsContact CG1-O 3.29Å; V133-P161 WeakPolarHBondContact CG1-O 3.33Å; V133-P161 HydrophobicContact CG2-CB 3.96Å; P161-Y163 PolarHBondContact O-N 2.85Å; P161-H164 PolarHBondContact O-N 2.97Å; P161-H164 VanDerWaalsContact O-N 3.16Å; P161-A165 PolarHBondContact O-N 3.14Å; P161-L177 HydrophobicContact CB-CD1 4.04Å; P161-L177 HydrophobicContact CB-CD2 4.13Å |
| 162 | L | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.8 | -166.5 | 77.4 | 0 | 0 | 0 | 113 | T160 H164 A165 A166 L174 L177 I178 A182 V184 P208 L224 | T160-L162 PolarHBondContact O-N 3Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.26Å; L162-A165 PolarHBondContact O-N 3.49Å; L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.05Å; L162-L174 HydrophobicContact CD1-CD1 3.57Å; L162-L174 HydrophobicContact CD1-CG 3.9Å; L162-L174 HydrophobicContact CG-CD1 3.99Å; L162-L177 HydrophobicContact CB-CD1 4.35Å; L162-L177 HydrophobicContact CD1-CB 3.8Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; L162-I178 HydrophobicContact CD1-CG1 3.99Å; L162-A182 HydrophobicContact CB-CB 4.5Å; L162-A182 HydrophobicContact CD1-CB 4.2Å; L162-A182 HydrophobicContact CD2-CB 4.4Å; L162-V184 HydrophobicContact CD2-CB 4.15Å; L162-V184 HydrophobicContact CD2-CG1 3.87Å; L162-P208 HydrophobicContact CD2-CB 4.4Å; L162-P208 HydrophobicContact CD2-CG 4.06Å; L162-P208 HydrophobicContact CG-CB 4.46Å; L162-P208 HydrophobicContact CG-CG 4.37Å; L162-L224 HydrophobicContact CD2-CD2 3.87Å; L162-L224 HydrophobicContact CG-CD2 4.26Å |
| 163 | Y | 90.2 | Very high | 85.2 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.1 | 172.5 | -95.1 | 0 | 0 | 0 | 111.9 | T160 P161 A166 R167 V205 V206 I211 | T160-Y163 WeakPolarHBondContact O-CB 3.38Å; T160-Y163 PolarHBondContact O-N 2.96Å; T160-Y163 VanDerWaalsContact O-N 3.14Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.49Å; T160-Y163 PolarHBondContact OG1-N 3.07Å; P161-Y163 PolarHBondContact O-N 2.85Å; Y163-A166 PolarHBondContact O-N 3.17Å; Y163-R167 WeakPolarHBondContact O-CB 3.46Å; Y163-R167 PolarHBondContact O-N 3.47Å; Y163-V205 WeakPolarHBondContact CE2-O 3.36Å; Y163-V205 PolarHBondContact OH-O 3.36Å; Y163-V206 HydrophobicContact CD1-CG1 4.38Å; Y163-V206 VanDerWaalsContact CD2-CA 3.45Å; Y163-V206 HydrophobicContact CD2-CG1 4.12Å; Y163-V206 WeakPolarHBondContact CD2-O 3.24Å; Y163-V206 HydrophobicContact CG-CG1 3.92Å; Y163-I211 HydrophobicContact CD2-CB 4.12Å; Y163-I211 HydrophobicContact CD2-CG2 3.66Å; Y163-I211 HydrophobicContact CE2-CB 3.5Å; Y163-I211 HydrophobicContact CE2-CD1 4.24Å; Y163-I211 HydrophobicContact CE2-CG1 3.76Å; Y163-I211 HydrophobicContact CE2-CG2 3.58Å; Y163-I211 HydrophobicContact CG-CG2 4.45Å; Y163-I211 WeakPolarHBondContact OH-CD1 3.29Å |
| 164 | H | 91.4 | Very high | 86.3 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.6 | -80 | -80.3 | 0 | 0 | 0 | 112.3 | Y130 V133 V134 S159 T160 P161 L162 A166 R167 V168 | Y130-H164 AromaticContact CE2-CD2 3.4Å; Y130-H164 VanDerWaalsContact CE2-CD2 3.4Å; Y130-H164 WeakPolarHBondContact CE2-CD2 3.09Å; Y130-H164 AromaticContact CE2-NE2 3.68Å; Y130-H164 AromaticContact CZ-CD2 3.68Å; Y130-H164 AromaticContact CZ-NE2 3.57Å; Y130-H164 PolarHBondContact OH-CD2 3.02Å; Y130-H164 PolarHBondContact OH-CE1 3.37Å; Y130-H164 PolarHBondContact OH-NE2 2.93Å; V133-H164 HydrophobicContact CG1-CB 4.4Å; V134-H164 HydrophobicContact CG2-CB 4.22Å; S159-H164 WeakPolarHBondContact CB-NE2 3.43Å; S159-H164 PolarHBondContact OG-NE2 3.26Å; T160-H164 PolarHBondContact O-CD2 3.35Å; T160-H164 PolarHBondContact O-N 2.89Å; P161-H164 PolarHBondContact O-N 2.97Å; P161-H164 VanDerWaalsContact O-N 3.16Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.26Å; H164-A166 VanDerWaalsContact C-N 3.32Å; H164-A166 PolarHBondContact O-N 3.14Å; H164-R167 PolarHBondContact CE1-NH2 2.97Å; H164-R167 PolarHBondContact ND1-NH2 2.92Å; H164-R167 VanDerWaalsContact ND1-NH2 3.17Å; H164-R167 PolarHBondContact O-N 3.42Å; H164-V168 WeakPolarHBondContact O-CG2 3.03Å; H164-V168 PolarHBondContact O-N 3.29Å; H164-V168 VanDerWaalsContact O-N 3.16Å |
| 165 | A | 95.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V133 P161 L162 G169 R170 V173 L174 L177 | V133-A165 HydrophobicContact CG1-CB 4.16Å; P161-A165 PolarHBondContact O-N 3.14Å; L162-A165 PolarHBondContact O-N 3.49Å; A165-G169 PolarHBondContact O-N 3.26Å; A165-R170 PolarHBondContact O-N 3.16Å; A165-V173 HydrophobicContact CB-CB 4.37Å; A165-V173 HydrophobicContact CB-CG1 4.07Å; A165-L174 HydrophobicContact CB-CB 4.22Å; A165-L174 HydrophobicContact CB-CD1 4.04Å; A165-L177 HydrophobicContact CB-CD1 4.22Å |
| 166 | A | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L162 Y163 H164 G169 L174 P208 I211 H217 L224 | L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.05Å; Y163-A166 PolarHBondContact O-N 3.17Å; H164-A166 VanDerWaalsContact C-N 3.32Å; H164-A166 PolarHBondContact O-N 3.14Å; A166-G169 PolarHBondContact O-N 2.86Å; A166-L174 HydrophobicContact CB-CD1 3.92Å; A166-P208 HydrophobicContact CB-CB 3.92Å; A166-P208 WeakPolarHBondContact CB-O 3.49Å; A166-I211 HydrophobicContact CB-CG2 3.96Å; A166-H217 PolarHBondContact O-CD2 2.95Å; A166-H217 VanDerWaalsContact O-CD2 3.27Å; A166-L224 HydrophobicContact CB-CD1 4.23Å |
| 167 | R | 91.9 | Very high | 90.4 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 32% | 0.317 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.7 | -36.7 | 179.2 | -176.5 | 178.3 | 72.5 | -179 | 5.7 | 113.4 | Y163 H164 I211 Y215 H217 | Y163-R167 WeakPolarHBondContact O-CB 3.46Å; Y163-R167 PolarHBondContact O-N 3.47Å; H164-R167 PolarHBondContact CE1-NH2 2.97Å; H164-R167 PolarHBondContact ND1-NH2 2.92Å; H164-R167 VanDerWaalsContact ND1-NH2 3.17Å; H164-R167 PolarHBondContact O-N 3.42Å; R167-I211 HydrophobicContact CB-CG1 3.66Å; R167-I211 HydrophobicContact CB-CG2 4.09Å; R167-I211 HydrophobicContact CG-CD1 4.31Å; R167-I211 HydrophobicContact CG-CG1 3.62Å; R167-Y215 HydrophobicContact CG-CD2 4.16Å; R167-Y215 HydrophobicContact CG-CE2 3.92Å; R167-H217 PolarHBondContact O-CD2 2.91Å; R167-H217 PolarHBondContact O-NE2 2.82Å; R167-H217 VanDerWaalsContact O-NE2 3.16Å |
| 168 | V | 94.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -89.3 | -16.7 | -178.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | H164 R170 H217 | H164-V168 WeakPolarHBondContact O-CG2 3.03Å; H164-V168 PolarHBondContact O-N 3.29Å; H164-V168 VanDerWaalsContact O-N 3.16Å; V168-R170 HydrophobicContact CB-CG 4.24Å; V168-R170 HydrophobicContact CG1-CG 3.92Å; V168-H217 VanDerWaalsContact C-NE2 3.31Å; V168-H217 PolarHBondContact O-NE2 3.11Å |
| 169 | G | 95.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 25 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A165 A166 V171 H217 | A165-G169 PolarHBondContact O-N 3.26Å; A166-G169 PolarHBondContact O-N 2.86Å; G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.9Å; G169-H217 VanDerWaalsContact CA-CG 3.5Å; G169-H217 PolarHBondContact N-CD2 3.44Å; G169-H217 PolarHBondContact N-NE2 3.34Å |
| 170 | R | 96.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | trans | -81.6 | 79.3 | 178.7 | -65.1 | -57.5 | -60.9 | -124.8 | -3 | 110.9 | A165 V168 D172 V173 L174 | A165-R170 PolarHBondContact O-N 3.16Å; V168-R170 HydrophobicContact CB-CG 4.24Å; V168-R170 HydrophobicContact CG1-CG 3.92Å; R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 VanDerWaalsContact C-OD1 3.32Å; R170-D172 WeakPolarHBondContact CB-OD1 3.22Å; R170-D172 IonicContact CZ-OD1 3.29Å; R170-D172 IonicContact CZ-OD2 3.11Å; R170-D172 IonicContact NE-OD1 2.73Å; R170-D172 PolarHBondContact NE-OD1 3.07Å; R170-D172 IonicContact NE-OD2 3.24Å; R170-D172 IonicContact NH2-OD1 3.44Å; R170-D172 IonicContact NH2-OD2 3.6Å; R170-D172 PolarHBondContact NH2-OD2 2.75Å; R170-D172 PolarHBondContact O-N 2.89Å; R170-V173 HydrophobicContact CB-CB 4.06Å; R170-V173 HydrophobicContact CB-CG2 4.19Å; R170-V173 PolarHBondContact O-N 3.36Å; R170-L174 WeakPolarHBondContact O-CB 3.18Å; R170-L174 PolarHBondContact O-N 3Å | ||
| 171 | V | 97.5 | Very high | 95 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 30% | 0.303 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56 | -40.9 | -179.2 | -179 | 0 | 0 | 0 | 0 | 111.6 | G169 L174 Q175 E219 L223 | G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.9Å; V171-L174 PolarHBondContact O-N 2.84Å; V171-Q175 VanDerWaalsContact O-CB 3.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.39Å; V171-Q175 PolarHBondContact O-N 3.2Å; V171-E219 HydrophobicContact CG2-CB 3.89Å; V171-L223 HydrophobicContact CG1-CD1 3.5Å |
| 172 | D | 97.6 | Very high | 95 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 177.2 | 56 | -21.2 | 0 | 0 | 0 | 112.4 | L138 R170 Q175 E176 | L138-D172 HydrophobicContact CD1-CB 4.46Å; L138-D172 HydrophobicContact CD2-CB 4.05Å; R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 VanDerWaalsContact C-OD1 3.32Å; R170-D172 WeakPolarHBondContact CB-OD1 3.22Å; R170-D172 IonicContact CZ-OD1 3.29Å; R170-D172 IonicContact CZ-OD2 3.11Å; R170-D172 IonicContact NE-OD1 2.73Å; R170-D172 PolarHBondContact NE-OD1 3.07Å; R170-D172 IonicContact NE-OD2 3.24Å; R170-D172 IonicContact NH2-OD1 3.44Å; R170-D172 IonicContact NH2-OD2 3.6Å; R170-D172 PolarHBondContact NH2-OD2 2.75Å; R170-D172 PolarHBondContact O-N 2.89Å; D172-Q175 PolarHBondContact O-N 2.89Å; D172-E176 PolarHBondContact O-N 3.5Å |
| 173 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.8 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | V133 L138 V141 A165 R170 Q175 E176 L177 | V133-V173 HydrophobicContact CB-CG1 4.21Å; V133-V173 HydrophobicContact CG1-CG1 3.86Å; V133-V173 HydrophobicContact CG2-CG1 3.72Å; L138-V173 HydrophobicContact CB-CG2 4.47Å; L138-V173 HydrophobicContact CD1-CG2 3.98Å; V141-V173 HydrophobicContact CG1-CG1 4.41Å; V141-V173 HydrophobicContact CG2-CG1 4.34Å; A165-V173 HydrophobicContact CB-CB 4.37Å; A165-V173 HydrophobicContact CB-CG1 4.07Å; R170-V173 HydrophobicContact CB-CB 4.06Å; R170-V173 HydrophobicContact CB-CG2 4.19Å; R170-V173 PolarHBondContact O-N 3.36Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.33Å; V173-E176 PolarHBondContact O-N 3.1Å; V173-L177 HydrophobicContact CG1-CD1 4.06Å; V173-L177 HydrophobicContact CG1-CG 4.44Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.37Å |
| 174 | L | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 177.7 | -167.6 | 97.2 | 0 | 0 | 0 | 111.4 | L162 A165 A166 R170 V171 L177 I178 C220 L223 L224 | L162-L174 HydrophobicContact CD1-CD1 3.57Å; L162-L174 HydrophobicContact CD1-CG 3.9Å; L162-L174 HydrophobicContact CG-CD1 3.99Å; A165-L174 HydrophobicContact CB-CB 4.22Å; A165-L174 HydrophobicContact CB-CD1 4.04Å; A166-L174 HydrophobicContact CB-CD1 3.92Å; R170-L174 WeakPolarHBondContact O-CB 3.18Å; R170-L174 PolarHBondContact O-N 3Å; V171-L174 PolarHBondContact O-N 2.84Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-I178 HydrophobicContact CD2-CD1 4.04Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.2Å; L174-I178 PolarHBondContact O-N 2.87Å; L174-C220 HydrophobicContact CD2-CB 4.09Å; L174-L223 HydrophobicContact CD2-CB 3.8Å; L174-L223 HydrophobicContact CD2-CD1 4.02Å; L174-L224 HydrophobicContact CD1-CD2 4.29Å; L174-L224 HydrophobicContact CD2-CD2 4.48Å; L174-L224 HydrophobicContact CD2-CG 4.23Å |
| 175 | Q | 97.2 | Very high | 94.3 | Very high | 116 Ų | 116 | 45.3 Ų | 45.3 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 179 | -175.7 | 174.6 | -4.4 | 0 | 0 | 112 | V171 D172 V173 I178 R179 L223 | V171-Q175 VanDerWaalsContact O-CB 3.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.39Å; V171-Q175 PolarHBondContact O-N 3.2Å; D172-Q175 PolarHBondContact O-N 2.89Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.33Å; Q175-I178 PolarHBondContact O-N 3.25Å; Q175-R179 WeakPolarHBondContact O-CB 3.25Å; Q175-R179 PolarHBondContact O-N 3.07Å; Q175-L223 HydrophobicContact CB-CD1 4.43Å |
| 176 | E | 97.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.4 | -65.1 | -62.6 | 171.8 | 0 | 0 | 111.5 | L138 R142 L145 D172 V173 I178 R179 F180 | L138-E176 HydrophobicContact CD1-CG 3.86Å; R142-E176 HydrophobicContact CG-CG 4.09Å; R142-E176 IonicContact CZ-OE1 3.88Å; R142-E176 IonicContact NE-OE1 3.93Å; R142-E176 PolarHBondContact NE-OE1 2.91Å; R142-E176 IonicContact NH2-OE1 3.2Å; R142-E176 PolarHBondContact NH2-OE1 3.44Å; L145-E176 HydrophobicContact CD1-CB 4.26Å; D172-E176 PolarHBondContact O-N 3.5Å; V173-E176 PolarHBondContact O-N 3.1Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.17Å; E176-R179 WeakPolarHBondContact O-CB 3.33Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 VanDerWaalsContact O-N 3.15Å; E176-R179 IonicContact OE1-NH1 3.96Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-CZ 3.21Å; E176-R179 IonicContact OE2-NH1 3.68Å; E176-R179 PolarHBondContact OE2-NH1 3.29Å; E176-F180 WeakPolarHBondContact O-CD2 3.3Å; E176-F180 PolarHBondContact O-N 3.41Å |
| 177 | L | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 175.9 | -70.8 | 170.2 | 0 | 0 | 0 | 111.7 | L129 V133 L145 P161 L162 A165 V173 L174 R179 F180 N181 A182 | L129-L177 HydrophobicContact CD2-CD2 4.28Å; V133-L177 HydrophobicContact CG1-CD1 4.43Å; V133-L177 HydrophobicContact CG2-CD1 4.2Å; V133-L177 HydrophobicContact CG2-CD2 4.34Å; L145-L177 HydrophobicContact CD1-CD2 4.29Å; L145-L177 HydrophobicContact CD2-CD2 4.43Å; P161-L177 HydrophobicContact CB-CD1 4.04Å; P161-L177 HydrophobicContact CB-CD2 4.13Å; L162-L177 HydrophobicContact CB-CD1 4.35Å; L162-L177 HydrophobicContact CD1-CB 3.8Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; A165-L177 HydrophobicContact CB-CD1 4.22Å; V173-L177 HydrophobicContact CG1-CD1 4.06Å; V173-L177 HydrophobicContact CG1-CG 4.44Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.23Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.92Å; L177-F180 CarbonylContact O-C 3.47Å; L177-F180 PolarHBondContact O-N 2.95Å; L177-N181 PolarHBondContact O-N 3.09Å; L177-A182 HydrophobicContact CB-CB 3.91Å; L177-A182 WeakPolarHBondContact O-CB 3.41Å; L177-A182 PolarHBondContact O-N 2.99Å |
| 178 | I | 95.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 176.5 | -69.7 | 166.4 | 0 | 0 | 0 | 111.1 | L162 L174 Q175 E176 F180 N181 V184 L223 A227 | L162-I178 HydrophobicContact CD1-CG1 3.99Å; L174-I178 HydrophobicContact CD2-CD1 4.04Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.2Å; L174-I178 PolarHBondContact O-N 2.87Å; Q175-I178 PolarHBondContact O-N 3.25Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.17Å; I178-F180 PolarHBondContact O-N 3.41Å; I178-N181 PolarHBondContact O-N 3.07Å; I178-V184 HydrophobicContact CG1-CG1 4.19Å; I178-L223 HydrophobicContact CD1-CB 4.41Å; I178-A227 HydrophobicContact CD1-CB 4.06Å; I178-A227 HydrophobicContact CG1-CB 4.35Å; I178-A227 HydrophobicContact CG2-CB 3.75Å |
| 179 | R | 95.1 | Very high | 88.2 | Confident | 158 Ų | 158 | 47.3 Ų | 47.3 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.3 | -39 | 177.4 | 178.7 | -173.1 | 175 | -167.7 | -2.8 | 111.5 | Q175 E176 L177 N181 | Q175-R179 WeakPolarHBondContact O-CB 3.25Å; Q175-R179 PolarHBondContact O-N 3.07Å; E176-R179 WeakPolarHBondContact O-CB 3.33Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 VanDerWaalsContact O-N 3.15Å; E176-R179 IonicContact OE1-NH1 3.96Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-CZ 3.21Å; E176-R179 IonicContact OE2-NH1 3.68Å; E176-R179 PolarHBondContact OE2-NH1 3.29Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.92Å; R179-N181 VanDerWaalsContact C-N 3.26Å; R179-N181 PolarHBondContact O-N 3.41Å |
| 180 | F | 95.4 | Very high | 86 | Confident | 56 Ų | 56 | 53 Ų | 53 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 23.1 | 175.3 | -76.6 | -93.5 | 0 | 0 | 0 | 113.6 | L145 E146 P151 E176 L177 I178 A182 | L145-F180 HydrophobicContact CB-CB 4.29Å; L145-F180 HydrophobicContact CB-CD1 3.8Å; L145-F180 HydrophobicContact CB-CD2 3.76Å; L145-F180 HydrophobicContact CB-CE1 3.96Å; L145-F180 HydrophobicContact CB-CE2 3.93Å; L145-F180 HydrophobicContact CB-CG 3.69Å; L145-F180 HydrophobicContact CB-CZ 4.03Å; L145-F180 HydrophobicContact CD1-CB 4.14Å; L145-F180 HydrophobicContact CD1-CD2 3.73Å; L145-F180 HydrophobicContact CD1-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CG 4.05Å; L145-F180 HydrophobicContact CD2-CB 3.87Å; L145-F180 HydrophobicContact CD2-CG 4.22Å; L145-F180 HydrophobicContact CG-CB 4.32Å; L145-F180 HydrophobicContact CG-CD2 4.27Å; L145-F180 HydrophobicContact CG-CG 4.2Å; L145-F180 WeakPolarHBondContact O-CE1 3.38Å; E146-F180 HydrophobicContact CG-CE1 4.42Å; E146-F180 HydrophobicContact CG-CZ 3.76Å; P151-F180 WeakPolarHBondContact CG-O 3.49Å; E176-F180 WeakPolarHBondContact O-CD2 3.3Å; E176-F180 PolarHBondContact O-N 3.41Å; L177-F180 CarbonylContact O-C 3.47Å; L177-F180 PolarHBondContact O-N 2.95Å; I178-F180 PolarHBondContact O-N 3.41Å; F180-A182 PolarHBondContact O-N 3.4Å |
| 181 | N | 92.3 | Very high | 83.7 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 31.5 | 171.9 | -60.6 | 113.3 | 0 | 0 | 0 | 115.6 | L177 I178 R179 D183 | L177-N181 PolarHBondContact O-N 3.09Å; I178-N181 PolarHBondContact O-N 3.07Å; R179-N181 VanDerWaalsContact C-N 3.26Å; R179-N181 PolarHBondContact O-N 3.41Å; N181-D183 PolarHBondContact O-N 3.23Å |
| 182 | A | 92 | Very high | 81.1 | Confident | 8 Ų | 8 | 55 Ų | 55 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | trans | -52.5 | 133.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | P151 L162 L177 F180 V184 | P151-A182 HydrophobicContact CB-CB 3.95Å; L162-A182 HydrophobicContact CB-CB 4.5Å; L162-A182 HydrophobicContact CD1-CB 4.2Å; L162-A182 HydrophobicContact CD2-CB 4.4Å; L177-A182 HydrophobicContact CB-CB 3.91Å; L177-A182 WeakPolarHBondContact O-CB 3.41Å; L177-A182 PolarHBondContact O-N 2.99Å; F180-A182 PolarHBondContact O-N 3.4Å; A182-V184 PolarHBondContact O-N 3.03Å | ||
| 183 | D | 88.3 | Confident | 78.5 | Confident | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | trans | -83 | 120.6 | 176.5 | 173.3 | 18.3 | 0 | 0 | 0 | 110.1 | N152 N181 D185 M186 K326 | N152-D183 PolarHBondContact OD1-N 3.18Å; N181-D183 PolarHBondContact O-N 3.23Å; D183-D185 VanDerWaalsContact C-N 3.26Å; D183-D185 PolarHBondContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 3.22Å; D183-M186 HydrophobicContact CB-CG 3.56Å; D183-M186 HydrophobicContact CB-SD 3.63Å; D183-M186 WeakPolarHBondContact O-CG 3.49Å; D183-M186 PolarHBondContact O-N 3.28Å; D183-K326 IonicContact OD1-NZ 3.87Å; D183-K326 PolarHBondContact OD1-NZ 3.26Å | ||
| 184 | V | 89.7 | Confident | 75.9 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.4 | -174.9 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | L162 I178 A182 L224 A227 A229 K326 | L162-V184 HydrophobicContact CD2-CB 4.15Å; L162-V184 HydrophobicContact CD2-CG1 3.87Å; I178-V184 HydrophobicContact CG1-CG1 4.19Å; A182-V184 PolarHBondContact O-N 3.03Å; V184-L224 HydrophobicContact CB-CD2 4.12Å; V184-L224 HydrophobicContact CG1-CD2 3.97Å; V184-A227 HydrophobicContact CG1-CB 3.78Å; V184-A229 HydrophobicContact CB-CB 4.17Å; V184-A229 HydrophobicContact CG2-CB 3.92Å; V184-K326 HydrophobicContact CG2-CD 3.94Å |
| 185 | D | 83 | Confident | 73.5 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 6% | 0.059 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 35.9 | 173.7 | -47.5 | -51.5 | 0 | 0 | 0 | 111.4 | D183 D187 A229 Q230 K326 | D183-D185 VanDerWaalsContact C-N 3.26Å; D183-D185 PolarHBondContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 3.22Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-A229 WeakPolarHBondContact OD1-CA 3.45Å; D185-Q230 PolarHBondContact OD1-N 3.2Å; D185-Q230 VanDerWaalsContact OD1-N 3.13Å; D185-Q230 PolarHBondContact OD2-N 2.91Å; D185-Q230 VanDerWaalsContact OD2-N 3.09Å; D185-K326 VanDerWaalsContact CG-NZ 3.26Å; D185-K326 WeakPolarHBondContact OD2-CE 3.43Å; D185-K326 IonicContact OD2-NZ 3.05Å; D185-K326 PolarHBondContact OD2-NZ 3.4Å |
| 186 | M | 75.3 | Confident | 70.9 | Confident | 45 Ų | 45 | 80 Ų | 80 | 22% | 0.222 | 41% | 0.407 | C | S | . | . | trans | -52 | 128.7 | 177.9 | -85.4 | -60.8 | -75.8 | 0 | 0 | 111.8 | N152 T160 D183 | N152-M186 HydrophobicContact CB-CE 4Å; N152-M186 HydrophobicContact CB-CG 4.28Å; N152-M186 HydrophobicContact CB-SD 4.44Å; N152-M186 WeakPolarHBondContact OD1-CG 3.48Å; T160-M186 HydrophobicContact CG2-CB 3.76Å; T160-M186 HydrophobicContact CG2-CG 4.18Å; D183-M186 HydrophobicContact CB-CG 3.56Å; D183-M186 HydrophobicContact CB-SD 3.63Å; D183-M186 WeakPolarHBondContact O-CG 3.49Å; D183-M186 PolarHBondContact O-N 3.28Å | ||
| 187 | D | 65.4 | Low | 68.4 | Low | 44 Ų | 44 | 82.7 Ų | 82.7 | 24% | 0.235 | 43% | 0.428 | C | S | . | . | trans | -118.8 | 108.2 | 169.3 | -172.3 | 7.4 | 0 | 0 | 0 | 110.5 | D185 Q189 R199 | D185-D187 PolarHBondContact O-N 3.49Å; D187-Q189 PolarHBondContact O-N 2.94Å; D187-Q189 VanDerWaalsContact O-N 3.09Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.32Å; D187-Q189 PolarHBondContact OD1-N 3.29Å; D187-R199 IonicContact OD2-NH1 2.88Å | ||
| 188 | H | 55.4 | Low | 66 | Low | 61 Ų | 61 | 85 Ų | 85 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -2.8 | 175.2 | -66.2 | -74.5 | 0 | 0 | 0 | 113.7 | S154 R158 T160 | S154-H188 PolarHBondContact O-CE1 3.33Å; R158-H188 HydrophobicContact CB-CB 4.09Å; R158-H188 HydrophobicContact CG-CB 4.47Å; R158-H188 PolarHBondContact O-CD2 2.95Å; T160-H188 WeakPolarHBondContact CG2-NE2 3.24Å |
| 189 | Q | 51.3 | Low | 63.8 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 29% | 0.29 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.7 | -173.4 | -58.9 | -91.2 | 13.4 | 0 | 0 | 114.1 | R158 D187 G191 | R158-Q189 VanDerWaalsContact CD-NE2 3.25Å; R158-Q189 VanDerWaalsContact CZ-NE2 3.33Å; D187-Q189 PolarHBondContact O-N 2.94Å; D187-Q189 VanDerWaalsContact O-N 3.09Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.32Å; D187-Q189 PolarHBondContact OD1-N 3.29Å; Q189-G191 PolarHBondContact O-N 3.29Å; Q189-G191 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 48.9 | Very low | 61.5 | Low | 140 Ų | 140 | 79.4 Ų | 79.4 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | trans | -85 | 52.2 | 175.4 | -68.7 | 169.2 | 0 | 0 | 0 | 112.2 | ||||
| 191 | G | 48.3 | Very low | 59.3 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 44% | 0.443 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -68.4 | 163.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q189 R193 | Q189-G191 PolarHBondContact O-N 3.29Å; Q189-G191 VanDerWaalsContact O-N 3.08Å; G191-R193 PolarHBondContact O-N 3.39Å |
| 192 | P | 41.8 | Very low | 56.9 | Low | 143 Ų | 143 | 75.8 Ų | 75.8 | 93% | 0.929 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -69.7 | 32.8 | -171.1 | 27.6 | -34.7 | 0 | 0 | 0 | 115.9 | ||
| 193 | R | 44.5 | Very low | 54.9 | Low | 222 Ų | 222 | 79.3 Ų | 79.3 | 84% | 0.838 | 43% | 0.429 | S | S | * | . | trans | -117.5 | 109.9 | -178.4 | -81.6 | -175.9 | 163.4 | 148.6 | -3.2 | 113.9 | G191 | G191-R193 PolarHBondContact O-N 3.39Š| ||
| 194 | L | 42.8 | Very low | 53.1 | Low | 129 Ų | 129 | 77.5 Ų | 77.5 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | trans | 71.5 | 96.6 | 147.6 | -60.8 | 168.1 | 0 | 0 | 0 | 118.5 | L196 | L194-L196 HydrophobicContact CD2-CD1 4.26Å; L194-L196 PolarHBondContact O-N 3.47Å | ||
| 195 | L | 46.5 | Very low | 51.3 | Low | 191 Ų | 191 | 82 Ų | 82 | 100% | 1 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 18 | 160.2 | -67 | 166 | 0 | 0 | 0 | 114.8 | ||
| 196 | L | 43.1 | Very low | 50.8 | Low | 152 Ų | 152 | 82.3 Ų | 82.3 | 80% | 0.796 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 1.5 | -166.6 | -75.3 | 164.7 | 0 | 0 | 0 | 114.9 | L194 | L194-L196 HydrophobicContact CD2-CD1 4.26Å; L194-L196 PolarHBondContact O-N 3.47Å |
| 197 | S | 45.7 | Very low | 51.1 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -111.6 | 102.4 | 171.9 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | R199 | S197-R199 PolarHBondContact O-N 2.91Š| ||
| 198 | A | 46.3 | Very low | 52.2 | Low | 49 Ų | 49 | 78.2 Ų | 78.2 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | trans | -18.5 | 113.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C240 | A198-C240 HydrophobicContact CB-CB 2.94Å; A198-C240 WeakPolarHBondContact CB-SG 3.39Å | ||
| 199 | R | 48.6 | Very low | 53.9 | Low | 63 Ų | 63 | 75.3 Ų | 75.3 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | trans | -122.5 | 139.3 | 172.5 | -65.7 | -176.5 | -175.1 | 170.2 | 1.5 | 112.4 | D187 S197 V239 | D187-R199 IonicContact OD2-NH1 2.88Å; S197-R199 PolarHBondContact O-N 2.91Å; R199-V239 WeakPolarHBondContact O-CG1 3.33Å | ||
| 200 | T | 47 | Very low | 55.6 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | trans | -86.6 | 157.4 | 176.8 | 40.7 | 0 | 0 | 0 | 0 | 112.1 | N202 T203 A243 L244 L248 | T200-N202 WeakPolarHBondContact CB-OD1 3.46Å; T200-N202 PolarHBondContact O-N 2.93Å; T200-N202 PolarHBondContact OG1-OD1 3.13Å; T200-T203 PolarHBondContact N-OG1 3.43Å; T200-T203 VanDerWaalsContact N-OG1 3.12Å; T200-T203 PolarHBondContact O-N 3.29Å; T200-T203 PolarHBondContact O-OG1 3.27Å; T200-T203 PolarHBondContact OG1-OG1 3.13Å; T200-A243 HydrophobicContact CG2-CB 3.59Å; T200-A243 WeakPolarHBondContact CG2-O 3.38Å; T200-L244 HydrophobicContact CG2-CD2 4.43Å; T200-L248 HydrophobicContact CG2-CD1 4.24Å | ||
| 201 | L | 48.4 | Very low | 57.4 | Low | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -60.5 | -20.9 | 177.9 | -64.4 | -175.2 | 0 | 0 | 0 | 114.2 | L204 F233 A249 C251 L252 A255 | L201-L204 HydrophobicContact CB-CD1 4.31Å; L201-L204 HydrophobicContact CD2-CD1 3.33Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L201-L204 HydrophobicContact CG-CD1 4.37Å; L201-L204 VanDerWaalsContact O-CB 3.25Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.29Å; L201-F233 HydrophobicContact CD2-CD1 4.46Å; L201-A249 VanDerWaalsContact CB-O 3.3Å; L201-A249 WeakPolarHBondContact CB-O 3.32Å; L201-A249 HydrophobicContact CD1-CB 3.56Å; L201-A249 WeakPolarHBondContact CD1-O 3.34Å; L201-A249 WeakPolarHBondContact CG-O 3.4Å; L201-C251 VanDerWaalsContact CD1-C 3.41Å; L201-C251 VanDerWaalsContact CD1-O 3.23Å; L201-C251 WeakPolarHBondContact CD1-O 3.37Å; L201-L252 HydrophobicContact CD2-CD2 4.35Å; L201-A255 HydrophobicContact CD1-CB 4.28Å |
| 202 | N | 42.1 | Very low | 59.5 | Low | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -83 | -10.3 | 173.8 | 71.4 | -20.2 | 0 | 0 | 0 | 114.2 | T200 L204 V205 L248 | T200-N202 WeakPolarHBondContact CB-OD1 3.46Å; T200-N202 PolarHBondContact O-N 2.93Å; T200-N202 PolarHBondContact OG1-OD1 3.13Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-V205 VanDerWaalsContact O-CG2 3.26Å; N202-V205 WeakPolarHBondContact O-CG2 3.35Å; N202-L248 HydrophobicContact CB-CD1 4.39Å; N202-L248 HydrophobicContact CB-CD2 3.86Å; N202-L248 WeakPolarHBondContact ND2-CD1 3.13Å; N202-L248 VanDerWaalsContact ND2-CD2 3.3Å; N202-L248 WeakPolarHBondContact ND2-CD2 3.27Å; N202-L248 WeakPolarHBondContact OD1-CD1 3.46Å |
| 203 | T | 49.8 | Very low | 61.9 | Low | 82 Ų | 82 | 59.9 Ų | 59.9 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -86.7 | -4.8 | 163.7 | 25.6 | 0 | 0 | 0 | 0 | 111.7 | T200 V205 | T200-T203 PolarHBondContact N-OG1 3.43Å; T200-T203 VanDerWaalsContact N-OG1 3.12Å; T200-T203 PolarHBondContact O-N 3.29Å; T200-T203 PolarHBondContact O-OG1 3.27Å; T200-T203 PolarHBondContact OG1-OG1 3.13Å; T203-V205 PolarHBondContact O-N 3.09Å |
| 204 | L | 51.3 | Low | 64 | Low | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | trans | -83.6 | 49.1 | 166.7 | -56 | 177.4 | 0 | 0 | 0 | 112.5 | L201 N202 V206 C207 N234 Y235 | L201-L204 HydrophobicContact CB-CD1 4.31Å; L201-L204 HydrophobicContact CD2-CD1 3.33Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L201-L204 HydrophobicContact CG-CD1 4.37Å; L201-L204 VanDerWaalsContact O-CB 3.25Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.29Å; N202-L204 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 3.49Å; L204-C207 HydrophobicContact CB-CB 4.26Å; L204-C207 PolarHBondContact O-N 3.36Å; L204-N234 HydrophobicContact CD1-CB 3.99Å; L204-N234 HydrophobicContact CD2-CB 3.94Å; L204-N234 HydrophobicContact CG-CB 4.49Å; L204-Y235 HydrophobicContact CD2-CD1 4.18Å; L204-Y235 HydrophobicContact CD2-CE1 4.48Å | ||
| 205 | V | 52.4 | Low | 66.3 | Low | 99 Ų | 99 | 50.8 Ų | 50.8 | 60% | 0.6 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 12.7 | 179.9 | -171.9 | 0 | 0 | 0 | 0 | 113.1 | Y163 N202 T203 | Y163-V205 WeakPolarHBondContact CE2-O 3.36Å; Y163-V205 PolarHBondContact OH-O 3.36Å; N202-V205 VanDerWaalsContact O-CG2 3.26Å; N202-V205 WeakPolarHBondContact O-CG2 3.35Å; T203-V205 PolarHBondContact O-N 3.09Å |
| 206 | V | 70.9 | Confident | 68.5 | Low | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 13 | -176.3 | -133.5 | 0 | 0 | 0 | 0 | 116 | R158 S159 Y163 L204 P208 | R158-V206 HydrophobicContact CB-CG2 4.12Å; R158-V206 VanDerWaalsContact O-CB 3.29Å; R158-V206 WeakPolarHBondContact O-CB 3.15Å; R158-V206 WeakPolarHBondContact O-CG1 3.2Å; R158-V206 WeakPolarHBondContact O-CG2 3.32Å; S159-V206 VanDerWaalsContact CA-CG1 3.49Å; Y163-V206 HydrophobicContact CD1-CG1 4.38Å; Y163-V206 VanDerWaalsContact CD2-CA 3.45Å; Y163-V206 HydrophobicContact CD2-CG1 4.12Å; Y163-V206 WeakPolarHBondContact CD2-O 3.24Å; Y163-V206 HydrophobicContact CG-CG1 3.92Å; L204-V206 PolarHBondContact O-N 3.49Å; V206-P208 WeakPolarHBondContact O-CD 3.37Å |
| 207 | C | 82.3 | Confident | 71.1 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -78.5 | 113.6 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | L204 L209 Y210 I211 N234 | L204-C207 HydrophobicContact CB-CB 4.26Å; L204-C207 PolarHBondContact O-N 3.36Å; C207-L209 PolarHBondContact O-N 3.47Å; C207-Y210 PolarHBondContact O-N 2.89Å; C207-Y210 PolarHBondContact SG-N 3.43Å; C207-I211 PolarHBondContact O-N 3.02Å; C207-N234 WeakPolarHBondContact CA-OD1 3.45Å; C207-N234 HydrophobicContact CB-CB 3.65Å; C207-N234 VanDerWaalsContact CB-CG 3.41Å; C207-N234 WeakPolarHBondContact CB-OD1 3.38Å; C207-N234 VanDerWaalsContact SG-CG 3.58Å; C207-N234 PolarHBondContact SG-OD1 2.88Å | ||
| 208 | P | 88.8 | Confident | 73.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -33.6 | 179.5 | -21.6 | 35.7 | 0 | 0 | 0 | 111.9 | L162 A166 V206 I211 S212 L224 | L162-P208 HydrophobicContact CD2-CB 4.4Å; L162-P208 HydrophobicContact CD2-CG 4.06Å; L162-P208 HydrophobicContact CG-CB 4.46Å; L162-P208 HydrophobicContact CG-CG 4.37Å; A166-P208 HydrophobicContact CB-CB 3.92Å; A166-P208 WeakPolarHBondContact CB-O 3.49Å; V206-P208 WeakPolarHBondContact O-CD 3.37Å; P208-I211 WeakPolarHBondContact O-CG2 3.31Å; P208-S212 WeakPolarHBondContact O-CB 3.49Å; P208-S212 PolarHBondContact O-N 3.18Å; P208-S212 VanDerWaalsContact O-N 3.12Å; P208-S212 PolarHBondContact O-OG 3.42Å; P208-L224 VanDerWaalsContact C-CD1 3.41Å; P208-L224 HydrophobicContact CB-CD1 3.72Å; P208-L224 HydrophobicContact CB-CD2 3.88Å; P208-L224 HydrophobicContact CB-CG 4.48Å; P208-L224 WeakPolarHBondContact O-CD1 3.11Å |
| 209 | L | 90.6 | Very high | 76 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -45.8 | 179 | -169.2 | 66.9 | 0 | 0 | 0 | 111.5 | C207 S212 A213 F221 L224 L225 A229 Q230 L252 L269 | C207-L209 PolarHBondContact O-N 3.47Å; L209-S212 PolarHBondContact O-OG 3.26Å; L209-A213 PolarHBondContact O-N 3.39Å; L209-F221 HydrophobicContact CD1-CD1 4.16Å; L209-F221 HydrophobicContact CD1-CD2 3.45Å; L209-F221 VanDerWaalsContact CD1-CD2 3.45Å; L209-F221 HydrophobicContact CD1-CE1 4.15Å; L209-F221 HydrophobicContact CD1-CE2 3.42Å; L209-F221 VanDerWaalsContact CD1-CE2 3.42Å; L209-F221 HydrophobicContact CD1-CG 3.83Å; L209-F221 HydrophobicContact CD1-CZ 3.79Å; L209-F221 HydrophobicContact CD2-CE2 4.5Å; L209-F221 HydrophobicContact CG-CD2 4.01Å; L209-F221 HydrophobicContact CG-CE2 3.56Å; L209-F221 HydrophobicContact CG-CZ 4.03Å; L209-F221 WeakPolarHBondContact O-CD2 3.47Å; L209-F221 VanDerWaalsContact O-CE2 3.27Å; L209-F221 WeakPolarHBondContact O-CE2 2.78Å; L209-L224 HydrophobicContact CB-CD1 4.46Å; L209-L224 HydrophobicContact CD1-CB 4Å; L209-L224 HydrophobicContact CD1-CD1 4.42Å; L209-L225 HydrophobicContact CD1-CD1 4.38Å; L209-L225 HydrophobicContact CD1-CD2 4.07Å; L209-L225 HydrophobicContact CD1-CG 3.77Å; L209-L225 HydrophobicContact CD2-CD2 3.87Å; L209-L225 HydrophobicContact CD2-CG 4.48Å; L209-A229 HydrophobicContact CD2-CB 4.33Å; L209-Q230 WeakPolarHBondContact CD2-O 3.44Å; L209-L252 HydrophobicContact CB-CD1 4.3Å; L209-L252 HydrophobicContact CD2-CD1 4.06Å; L209-L252 HydrophobicContact CD2-CG 4.15Å; L209-L252 HydrophobicContact CG-CD1 3.92Å; L209-L269 HydrophobicContact CD2-CD2 4.33Å |
| 210 | Y | 87.2 | Confident | 78.3 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.9 | 169.9 | -94.6 | 0 | 0 | 0 | 111.9 | C207 S212 A213 A214 A255 H259 | C207-Y210 PolarHBondContact O-N 2.89Å; C207-Y210 PolarHBondContact SG-N 3.43Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.98Å; Y210-A213 WeakPolarHBondContact O-CB 3.33Å; Y210-A213 PolarHBondContact O-N 3.05Å; Y210-A214 HydrophobicContact CE1-CB 4.32Å; Y210-A214 PolarHBondContact O-N 2.89Å; Y210-A255 HydrophobicContact CD2-CB 3.72Å; Y210-A255 HydrophobicContact CE2-CB 3.64Å; Y210-H259 AromaticContact CE2-NE2 3.53Å; Y210-H259 AromaticContact CZ-NE2 3.51Å; Y210-H259 PolarHBondContact OH-NE2 3.01Å; Y210-H259 VanDerWaalsContact OH-NE2 3.15Å |
| 211 | I | 87.5 | Confident | 80.7 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | -174.7 | -159 | 65.7 | 0 | 0 | 0 | 111.8 | Y163 A166 R167 C207 P208 A213 A214 Y215 | Y163-I211 HydrophobicContact CD2-CB 4.12Å; Y163-I211 HydrophobicContact CD2-CG2 3.66Å; Y163-I211 HydrophobicContact CE2-CB 3.5Å; Y163-I211 HydrophobicContact CE2-CD1 4.24Å; Y163-I211 HydrophobicContact CE2-CG1 3.76Å; Y163-I211 HydrophobicContact CE2-CG2 3.58Å; Y163-I211 HydrophobicContact CG-CG2 4.45Å; Y163-I211 WeakPolarHBondContact OH-CD1 3.29Å; A166-I211 HydrophobicContact CB-CG2 3.96Å; R167-I211 HydrophobicContact CB-CG1 3.66Å; R167-I211 HydrophobicContact CB-CG2 4.09Å; R167-I211 HydrophobicContact CG-CD1 4.31Å; R167-I211 HydrophobicContact CG-CG1 3.62Å; C207-I211 PolarHBondContact O-N 3.02Å; P208-I211 WeakPolarHBondContact O-CG2 3.31Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.43Å; I211-A214 PolarHBondContact O-N 3.29Å; I211-Y215 HydrophobicContact CD1-CD2 3.86Å; I211-Y215 HydrophobicContact CD1-CE2 3.55Å; I211-Y215 HydrophobicContact CG1-CD2 3.97Å; I211-Y215 HydrophobicContact CG1-CE2 4.02Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.42Å; I211-Y215 VanDerWaalsContact O-N 3.12Å |
| 212 | S | 92.8 | Very high | 83 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -35.3 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 112 | P208 L209 Y210 H216 H217 F221 | P208-S212 WeakPolarHBondContact O-CB 3.49Å; P208-S212 PolarHBondContact O-N 3.18Å; P208-S212 VanDerWaalsContact O-N 3.12Å; P208-S212 PolarHBondContact O-OG 3.42Å; L209-S212 PolarHBondContact O-OG 3.26Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.98Å; S212-H216 PolarHBondContact O-N 3.16Å; S212-H216 VanDerWaalsContact O-N 3.1Å; S212-H217 PolarHBondContact O-N 3.34Å; S212-F221 WeakPolarHBondContact OG-CD2 3.37Å |
| 213 | A | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L209 Y210 I211 Y215 H216 F221 V256 C261 F265 | L209-A213 PolarHBondContact O-N 3.39Å; Y210-A213 WeakPolarHBondContact O-CB 3.33Å; Y210-A213 PolarHBondContact O-N 3.05Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.43Å; A213-Y215 PolarHBondContact O-N 3.14Å; A213-Y215 VanDerWaalsContact O-N 3.17Å; A213-H216 PolarHBondContact O-N 3.24Å; A213-F221 HydrophobicContact CB-CD2 3.93Å; A213-F221 HydrophobicContact CB-CE2 3.73Å; A213-V256 HydrophobicContact CB-CG2 3.84Å; A213-C261 PolarHBondContact O-SG 3.31Å; A213-C261 VanDerWaalsContact O-SG 3.37Å; A213-F265 HydrophobicContact CB-CD1 4.09Å; A213-F265 HydrophobicContact CB-CE1 4.1Å |
| 214 | A | 88.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -28.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y210 I211 | Y210-A214 HydrophobicContact CE1-CB 4.32Å; Y210-A214 PolarHBondContact O-N 2.89Å; I211-A214 PolarHBondContact O-N 3.29Å |
| 215 | Y | 91.1 | Very high | 89.9 | Confident | 133 Ų | 133 | 35.3 Ų | 35.3 | 52% | 0.522 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 10 | 175.6 | -74 | -98 | 0 | 0 | 0 | 113.5 | R167 I211 A213 H217 | R167-Y215 HydrophobicContact CG-CD2 4.16Å; R167-Y215 HydrophobicContact CG-CE2 3.92Å; I211-Y215 HydrophobicContact CD1-CD2 3.86Å; I211-Y215 HydrophobicContact CD1-CE2 3.55Å; I211-Y215 HydrophobicContact CG1-CD2 3.97Å; I211-Y215 HydrophobicContact CG1-CE2 4.02Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.42Å; I211-Y215 VanDerWaalsContact O-N 3.12Å; A213-Y215 PolarHBondContact O-N 3.14Å; A213-Y215 VanDerWaalsContact O-N 3.17Å; Y215-H217 VanDerWaalsContact C-N 3.3Å; Y215-H217 PolarHBondContact O-N 3.22Å |
| 216 | H | 93.7 | Very high | 91.9 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 44% | 0.44 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.4 | 177 | -61.6 | -109.3 | 0 | 0 | 0 | 114.9 | S212 A213 L218 | S212-H216 PolarHBondContact O-N 3.16Å; S212-H216 VanDerWaalsContact O-N 3.1Å; A213-H216 PolarHBondContact O-N 3.24Å; H216-L218 PolarHBondContact O-N 3Å |
| 217 | H | 97.1 | Very high | 92.9 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 25% | 0.245 | 16% | 0.158 | C | C | . | . | trans | -87.7 | 77.5 | 175.2 | -63.4 | -47.3 | 0 | 0 | 0 | 111.8 | A166 R167 V168 G169 S212 Y215 E219 C220 F221 | A166-H217 PolarHBondContact O-CD2 2.95Å; A166-H217 VanDerWaalsContact O-CD2 3.27Å; R167-H217 PolarHBondContact O-CD2 2.91Å; R167-H217 PolarHBondContact O-NE2 2.82Å; R167-H217 VanDerWaalsContact O-NE2 3.16Å; V168-H217 VanDerWaalsContact C-NE2 3.31Å; V168-H217 PolarHBondContact O-NE2 3.11Å; G169-H217 VanDerWaalsContact CA-CG 3.5Å; G169-H217 PolarHBondContact N-CD2 3.44Å; G169-H217 PolarHBondContact N-NE2 3.34Å; S212-H217 PolarHBondContact O-N 3.34Å; Y215-H217 VanDerWaalsContact C-N 3.3Å; Y215-H217 PolarHBondContact O-N 3.22Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.19Å; H217-C220 HydrophobicContact CB-CB 4.09Å; H217-C220 PolarHBondContact O-N 3.36Å; H217-F221 WeakPolarHBondContact O-CB 3.43Å; H217-F221 PolarHBondContact O-N 3.44Å | ||
| 218 | L | 97.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 14% | 0.141 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | -174.5 | -177.8 | 69.7 | 0 | 0 | 0 | 113.3 | H216 F221 R222 E262 F265 L268 | H216-L218 PolarHBondContact O-N 3Å; L218-F221 WeakPolarHBondContact O-CB 3.49Å; L218-F221 PolarHBondContact O-N 3.45Å; L218-R222 WeakPolarHBondContact O-CB 2.86Å; L218-R222 PolarHBondContact O-N 2.75Å; L218-E262 WeakPolarHBondContact CD2-OE1 3.02Å; L218-F265 VanDerWaalsContact CA-CZ 3.44Å; L218-F265 HydrophobicContact CB-CE2 3.89Å; L218-F265 HydrophobicContact CB-CZ 3.83Å; L218-F265 HydrophobicContact CD1-CD1 4.35Å; L218-F265 HydrophobicContact CD1-CD2 3.67Å; L218-F265 HydrophobicContact CD1-CE1 4.3Å; L218-F265 HydrophobicContact CD1-CE2 3.62Å; L218-F265 HydrophobicContact CD1-CG 4.05Å; L218-F265 HydrophobicContact CD1-CZ 3.96Å; L218-F265 HydrophobicContact CG-CE2 4.35Å; L218-L268 HydrophobicContact CD1-CD1 3.65Å; L218-L268 HydrophobicContact CG-CD1 4.48Å |
| 219 | E | 97.7 | Very high | 93.5 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 43% | 0.43 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.4 | -37.6 | -176.7 | -67.9 | -52.6 | 129.8 | 0 | 0 | 112.5 | V171 H217 F221 R222 L223 | V171-E219 HydrophobicContact CG2-CB 3.89Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.19Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.33Å; E219-R222 PolarHBondContact O-N 2.89Å; E219-R222 IonicContact OE1-NE 3.28Å; E219-R222 IonicContact OE1-NH2 2.63Å; E219-R222 IonicContact OE2-NE 2.72Å; E219-L223 WeakPolarHBondContact O-CB 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.19Å |
| 220 | C | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 170 | -70.7 | 0 | 0 | 0 | 0 | 111 | L174 H217 R222 L223 L224 | L174-C220 HydrophobicContact CD2-CB 4.09Å; H217-C220 HydrophobicContact CB-CB 4.09Å; H217-C220 PolarHBondContact O-N 3.36Å; C220-R222 PolarHBondContact O-N 2.85Å; C220-L223 PolarHBondContact O-N 2.72Å; C220-L224 VanDerWaalsContact O-CG 3.27Å; C220-L224 WeakPolarHBondContact O-CG 3.39Å; C220-L224 PolarHBondContact O-N 3.01Å |
| 221 | F | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 178.9 | -168.1 | -91.7 | 0 | 0 | 0 | 111.8 | L209 S212 A213 H217 L218 E219 L224 L225 L252 V256 F265 L268 L269 | L209-F221 HydrophobicContact CD1-CD1 4.16Å; L209-F221 HydrophobicContact CD1-CD2 3.45Å; L209-F221 VanDerWaalsContact CD1-CD2 3.45Å; L209-F221 HydrophobicContact CD1-CE1 4.15Å; L209-F221 HydrophobicContact CD1-CE2 3.42Å; L209-F221 VanDerWaalsContact CD1-CE2 3.42Å; L209-F221 HydrophobicContact CD1-CG 3.83Å; L209-F221 HydrophobicContact CD1-CZ 3.79Å; L209-F221 HydrophobicContact CD2-CE2 4.5Å; L209-F221 HydrophobicContact CG-CD2 4.01Å; L209-F221 HydrophobicContact CG-CE2 3.56Å; L209-F221 HydrophobicContact CG-CZ 4.03Å; L209-F221 WeakPolarHBondContact O-CD2 3.47Å; L209-F221 VanDerWaalsContact O-CE2 3.27Å; L209-F221 WeakPolarHBondContact O-CE2 2.78Å; S212-F221 WeakPolarHBondContact OG-CD2 3.37Å; A213-F221 HydrophobicContact CB-CD2 3.93Å; A213-F221 HydrophobicContact CB-CE2 3.73Å; H217-F221 WeakPolarHBondContact O-CB 3.43Å; H217-F221 PolarHBondContact O-N 3.44Å; L218-F221 WeakPolarHBondContact O-CB 3.49Å; L218-F221 PolarHBondContact O-N 3.45Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.33Å; F221-L224 PolarHBondContact O-N 2.95Å; F221-L225 HydrophobicContact CD1-CD1 3.78Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 HydrophobicContact CZ-CD1 4.38Å; F221-L225 PolarHBondContact O-N 2.88Å; F221-L252 HydrophobicContact CE2-CD1 4.42Å; F221-V256 HydrophobicContact CE2-CG2 4.41Å; F221-V256 HydrophobicContact CZ-CG2 4.21Å; F221-F265 HydrophobicContact CB-CD1 4.1Å; F221-F265 HydrophobicContact CB-CE1 3.66Å; F221-F265 AromaticContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CE1 4.11Å; F221-F265 AromaticContact CD2-CD1 3.74Å; F221-F265 HydrophobicContact CD2-CD1 3.74Å; F221-F265 AromaticContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CE1-CB 4.47Å; F221-F265 AromaticContact CE1-CD1 3.86Å; F221-F265 HydrophobicContact CE1-CD1 3.86Å; F221-F265 AromaticContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CE1 4.46Å; F221-F265 AromaticContact CG-CD1 3.55Å; F221-F265 HydrophobicContact CG-CD1 3.55Å; F221-F265 AromaticContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CZ-CD1 4.04Å; F221-L268 HydrophobicContact CD1-CB 4.31Å; F221-L268 HydrophobicContact CD1-CD1 4.01Å; F221-L268 HydrophobicContact CE1-CB 4.15Å; F221-L269 HydrophobicContact CE1-CD2 4Å; F221-L269 HydrophobicContact CE1-CG 3.9Å; F221-L269 HydrophobicContact CZ-CD1 4.09Å; F221-L269 HydrophobicContact CZ-CD2 3.56Å; F221-L269 HydrophobicContact CZ-CG 3.62Å |
| 222 | R | 97.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 35.5 Ų | 35.5 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 174.3 | -176.4 | -168.7 | -61.3 | -80.4 | -1.9 | 111.5 | L218 E219 C220 L224 L225 L226 L268 | L218-R222 WeakPolarHBondContact O-CB 2.86Å; L218-R222 PolarHBondContact O-N 2.75Å; E219-R222 PolarHBondContact O-N 2.89Å; E219-R222 IonicContact OE1-NE 3.28Å; E219-R222 IonicContact OE1-NH2 2.63Å; E219-R222 IonicContact OE2-NE 2.72Å; C220-R222 PolarHBondContact O-N 2.85Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.48Å; R222-L225 PolarHBondContact O-N 2.97Å; R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 HydrophobicContact CG-CG 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.49Å; R222-L226 PolarHBondContact O-N 3.34Å; R222-L268 HydrophobicContact CB-CD1 3.93Å; R222-L268 HydrophobicContact CB-CD2 4.42Å; R222-L268 HydrophobicContact CG-CD1 4.42Å; R222-L268 HydrophobicContact CG-CD2 4.07Å |
| 223 | L | 96.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 37 Ų | 37 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | -179.1 | -77.7 | -178.3 | 0 | 0 | 0 | 112.5 | V171 L174 Q175 I178 E219 C220 L226 A227 | V171-L223 HydrophobicContact CG1-CD1 3.5Å; L174-L223 HydrophobicContact CD2-CB 3.8Å; L174-L223 HydrophobicContact CD2-CD1 4.02Å; Q175-L223 HydrophobicContact CB-CD1 4.43Å; I178-L223 HydrophobicContact CD1-CB 4.41Å; E219-L223 WeakPolarHBondContact O-CB 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.19Å; C220-L223 PolarHBondContact O-N 2.72Å; L223-L226 PolarHBondContact O-N 3.4Å; L223-A227 WeakPolarHBondContact O-CB 3.18Å; L223-A227 PolarHBondContact O-N 3.38Å |
| 224 | L | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 176.8 | -70.6 | 165.8 | 0 | 0 | 0 | 111.6 | L162 A166 L174 V184 P208 L209 C220 F221 R222 A227 G228 A229 | L162-L224 HydrophobicContact CD2-CD2 3.87Å; L162-L224 HydrophobicContact CG-CD2 4.26Å; A166-L224 HydrophobicContact CB-CD1 4.23Å; L174-L224 HydrophobicContact CD1-CD2 4.29Å; L174-L224 HydrophobicContact CD2-CD2 4.48Å; L174-L224 HydrophobicContact CD2-CG 4.23Å; V184-L224 HydrophobicContact CB-CD2 4.12Å; V184-L224 HydrophobicContact CG1-CD2 3.97Å; P208-L224 VanDerWaalsContact C-CD1 3.41Å; P208-L224 HydrophobicContact CB-CD1 3.72Å; P208-L224 HydrophobicContact CB-CD2 3.88Å; P208-L224 HydrophobicContact CB-CG 4.48Å; P208-L224 WeakPolarHBondContact O-CD1 3.11Å; L209-L224 HydrophobicContact CB-CD1 4.46Å; L209-L224 HydrophobicContact CD1-CB 4Å; L209-L224 HydrophobicContact CD1-CD1 4.42Å; C220-L224 VanDerWaalsContact O-CG 3.27Å; C220-L224 WeakPolarHBondContact O-CG 3.39Å; C220-L224 PolarHBondContact O-N 3.01Å; F221-L224 PolarHBondContact O-N 2.95Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.48Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 3.29Å; L224-G228 PolarHBondContact O-N 3.02Å; L224-A229 HydrophobicContact CB-CB 4.11Å; L224-A229 WeakPolarHBondContact O-CB 3.12Å; L224-A229 PolarHBondContact O-N 2.77Å |
| 225 | L | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.8 | -74.6 | 173.7 | 0 | 0 | 0 | 112.8 | L209 F221 R222 A227 G228 P231 L268 L269 H272 R321 | L209-L225 HydrophobicContact CD1-CD1 4.38Å; L209-L225 HydrophobicContact CD1-CD2 4.07Å; L209-L225 HydrophobicContact CD1-CG 3.77Å; L209-L225 HydrophobicContact CD2-CD2 3.87Å; L209-L225 HydrophobicContact CD2-CG 4.48Å; F221-L225 HydrophobicContact CD1-CD1 3.78Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 HydrophobicContact CZ-CD1 4.38Å; F221-L225 PolarHBondContact O-N 2.88Å; R222-L225 PolarHBondContact O-N 2.97Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.42Å; L225-G228 WeakPolarHBondContact O-CA 3.13Å; L225-G228 PolarHBondContact O-N 3.41Å; L225-P231 HydrophobicContact CD2-CB 4.05Å; L225-L268 HydrophobicContact CD1-CB 3.71Å; L225-L269 HydrophobicContact CD1-CD2 4.46Å; L225-L269 HydrophobicContact CD2-CD2 4.42Å; L225-H272 HydrophobicContact CD2-CB 3.97Å; L225-H272 PolarHBondContact O-CE1 3.43Å; L225-H272 PolarHBondContact O-ND1 2.75Å; L225-H272 VanDerWaalsContact O-ND1 3.12Å; L225-R321 PolarHBondContact O-NH2 2.85Å |
| 226 | L | 94.3 | Very high | 87.8 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 31% | 0.314 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 174.3 | -73 | 174.6 | 0 | 0 | 0 | 111.6 | R222 L223 G228 R321 H347 | R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 HydrophobicContact CG-CG 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.49Å; R222-L226 PolarHBondContact O-N 3.34Å; L223-L226 PolarHBondContact O-N 3.4Å; L226-G228 PolarHBondContact O-N 3.22Å; L226-R321 PolarHBondContact O-NH2 3.11Å; L226-R321 VanDerWaalsContact O-NH2 3.07Å; L226-H347 HydrophobicContact CD2-CB 3.79Å |
| 227 | A | 93.4 | Very high | 85.5 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -7.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I178 V184 L223 L224 L225 | I178-A227 HydrophobicContact CD1-CB 4.06Å; I178-A227 HydrophobicContact CG1-CB 4.35Å; I178-A227 HydrophobicContact CG2-CB 3.75Å; V184-A227 HydrophobicContact CG1-CB 3.78Å; L223-A227 WeakPolarHBondContact O-CB 3.18Å; L223-A227 PolarHBondContact O-N 3.38Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 3.29Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.42Å |
| 228 | G | 91.5 | Very high | 82.8 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 25.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L224 L225 L226 K326 | L224-G228 PolarHBondContact O-N 3.02Å; L225-G228 WeakPolarHBondContact O-CA 3.13Å; L225-G228 PolarHBondContact O-N 3.41Å; L226-G228 PolarHBondContact O-N 3.22Å; G228-K326 WeakPolarHBondContact O-CE 3.26Å; G228-K326 WeakPolarHBondContact O-CG 3.43Å |
| 229 | A | 91.2 | Very high | 80.4 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -55.8 | 141.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | V184 D185 L209 L224 | V184-A229 HydrophobicContact CB-CB 4.17Å; V184-A229 HydrophobicContact CG2-CB 3.92Å; D185-A229 WeakPolarHBondContact OD1-CA 3.45Å; L209-A229 HydrophobicContact CD2-CB 4.33Å; L224-A229 HydrophobicContact CB-CB 4.11Å; L224-A229 WeakPolarHBondContact O-CB 3.12Å; L224-A229 PolarHBondContact O-N 2.77Å | ||
| 230 | Q | 86.6 | Confident | 77.8 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.308 | 20% | 0.197 | S | C | . | . | trans | -70.2 | 123.8 | 178.3 | -75.7 | -65.7 | -9.2 | 0 | 0 | 109.9 | D185 L209 D232 F233 | D185-Q230 PolarHBondContact OD1-N 3.2Å; D185-Q230 VanDerWaalsContact OD1-N 3.13Å; D185-Q230 PolarHBondContact OD2-N 2.91Å; D185-Q230 VanDerWaalsContact OD2-N 3.09Å; L209-Q230 WeakPolarHBondContact CD2-O 3.44Å; Q230-D232 VanDerWaalsContact C-N 3.31Å; Q230-D232 PolarHBondContact O-N 3.17Å; Q230-F233 WeakPolarHBondContact CB-O 2.99Å | ||
| 231 | P | 89.9 | Confident | 75.2 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -77.4 | -17.8 | -171.2 | 33.7 | -39 | 0 | 0 | 0 | 113 | L225 L252 L269 H272 A274 | L225-P231 HydrophobicContact CD2-CB 4.05Å; P231-L252 WeakPolarHBondContact O-CB 3.27Å; P231-L269 HydrophobicContact CB-CD2 4Å; P231-L269 VanDerWaalsContact O-CD2 3.29Å; P231-L269 WeakPolarHBondContact O-CD2 3.39Å; P231-H272 HydrophobicContact CB-CB 4.32Å; P231-A274 HydrophobicContact CB-CB 4.05Å |
| 232 | D | 83.1 | Confident | 72.5 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -92.5 | -44.4 | -179.3 | -63.3 | -54.3 | 0 | 0 | 0 | 112.4 | Q230 L252 A274 D275 L278 R322 | Q230-D232 VanDerWaalsContact C-N 3.31Å; Q230-D232 PolarHBondContact O-N 3.17Å; D232-L252 PolarHBondContact O-N 3.25Å; D232-A274 WeakPolarHBondContact OD1-CA 3.38Å; D232-D275 PolarHBondContact OD1-N 3.29Å; D232-L278 HydrophobicContact CB-CD1 3.92Å; D232-R322 IonicContact OD2-NH2 3.25Å |
| 233 | F | 76.6 | Confident | 69.8 | Low | 30 Ų | 30 | 46.4 Ų | 46.4 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | trans | -151.2 | 157.3 | -169.1 | -47.9 | -68.3 | 0 | 0 | 0 | 112 | L201 Q230 Y235 V239 C251 L278 | L201-F233 HydrophobicContact CD2-CD1 4.46Å; Q230-F233 WeakPolarHBondContact CB-O 2.99Å; F233-Y235 VanDerWaalsContact C-N 3.27Å; F233-Y235 PolarHBondContact O-N 2.63Å; F233-V239 HydrophobicContact CD1-CB 4.34Å; F233-V239 HydrophobicContact CD1-CG2 3.31Å; F233-V239 HydrophobicContact CE1-CB 3.92Å; F233-V239 HydrophobicContact CE1-CG2 3.38Å; F233-V239 HydrophobicContact CG-CG2 4.08Å; F233-V239 HydrophobicContact CZ-CB 4.44Å; F233-V239 HydrophobicContact CZ-CG2 4.19Å; F233-C251 HydrophobicContact CD1-CB 4.43Å; F233-C251 HydrophobicContact CE1-CB 3.76Å; F233-C251 HydrophobicContact CZ-CB 4.3Å; F233-L278 HydrophobicContact CE2-CD1 3.8Å; F233-L278 HydrophobicContact CZ-CD1 3.61Å; F233-L278 HydrophobicContact CZ-CD2 4.33Å; F233-L278 HydrophobicContact CZ-CG 4.47Å | ||
| 234 | N | 64.4 | Low | 67.4 | Low | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -78.6 | 3.7 | 177 | -161.9 | 52.5 | 0 | 0 | 0 | 114.9 | L204 C207 | L204-N234 HydrophobicContact CD1-CB 3.99Å; L204-N234 HydrophobicContact CD2-CB 3.94Å; L204-N234 HydrophobicContact CG-CB 4.49Å; C207-N234 WeakPolarHBondContact CA-OD1 3.45Å; C207-N234 HydrophobicContact CB-CB 3.65Å; C207-N234 VanDerWaalsContact CB-CG 3.41Å; C207-N234 WeakPolarHBondContact CB-OD1 3.38Å; C207-N234 VanDerWaalsContact SG-CG 3.58Å; C207-N234 PolarHBondContact SG-OD1 2.88Å |
| 235 | Y | 63.4 | Low | 64.8 | Low | 53 Ų | 53 | 52.3 Ų | 52.3 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -150.6 | 163.7 | -176.5 | 72.3 | -84.7 | 0 | 0 | 0 | 112.6 | L204 F233 G237 P238 V239 | L204-Y235 HydrophobicContact CD2-CD1 4.18Å; L204-Y235 HydrophobicContact CD2-CE1 4.48Å; F233-Y235 VanDerWaalsContact C-N 3.27Å; F233-Y235 PolarHBondContact O-N 2.63Å; Y235-G237 WeakPolarHBondContact CE2-O 3.43Å; Y235-G237 PolarHBondContact O-N 3.48Å; Y235-G237 VanDerWaalsContact O-N 3.11Å; Y235-P238 PolarHBondContact OH-O 3.28Å; Y235-V239 HydrophobicContact CE1-CG2 4.2Å; Y235-V239 WeakPolarHBondContact OH-CA 3.34Å |
| 236 | T | 45.4 | Very low | 62.4 | Low | 132 Ų | 132 | 62.9 Ų | 62.9 | 81% | 0.81 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -79.6 | 84.6 | 177 | 56.1 | 0 | 0 | 0 | 0 | 111 | ||
| 237 | G | 44.8 | Very low | 60.4 | Low | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 168.7 | 158.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y235 V239 | Y235-G237 WeakPolarHBondContact CE2-O 3.43Å; Y235-G237 PolarHBondContact O-N 3.48Å; Y235-G237 VanDerWaalsContact O-N 3.11Å; G237-V239 PolarHBondContact O-N 3.33Å |
| 238 | P | 40.3 | Very low | 58.7 | Low | 118 Ų | 118 | 63.2 Ų | 63.2 | 77% | 0.766 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 130.7 | 176.9 | 27.5 | -32 | 0 | 0 | 0 | 110.8 | Y235 | Y235-P238 PolarHBondContact OH-O 3.28Š|
| 239 | V | 47.8 | Very low | 57.3 | Low | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 131.7 | 167.1 | 168.2 | 0 | 0 | 0 | 0 | 108.7 | R199 F233 Y235 G237 H241 | R199-V239 WeakPolarHBondContact O-CG1 3.33Å; F233-V239 HydrophobicContact CD1-CB 4.34Å; F233-V239 HydrophobicContact CD1-CG2 3.31Å; F233-V239 HydrophobicContact CE1-CB 3.92Å; F233-V239 HydrophobicContact CE1-CG2 3.38Å; F233-V239 HydrophobicContact CG-CG2 4.08Å; F233-V239 HydrophobicContact CZ-CB 4.44Å; F233-V239 HydrophobicContact CZ-CG2 4.19Å; Y235-V239 HydrophobicContact CE1-CG2 4.2Å; Y235-V239 WeakPolarHBondContact OH-CA 3.34Å; G237-V239 PolarHBondContact O-N 3.33Å; V239-H241 PolarHBondContact O-N 3.3Å |
| 240 | C | 42.8 | Very low | 56.3 | Low | 31 Ų | 31 | 63.1 Ų | 63.1 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 123.3 | 175 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | A198 E242 | A198-C240 HydrophobicContact CB-CB 2.94Å; A198-C240 WeakPolarHBondContact CB-SG 3.39Å; C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.72Å; C240-E242 PolarHBondContact SG-N 3.5Å; C240-E242 VanDerWaalsContact SG-N 3.35Å |
| 241 | H | 42.7 | Very low | 56 | Low | 136 Ų | 136 | 60 Ų | 60 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.2 | -25.4 | 178.8 | -69.4 | -83.7 | 0 | 0 | 0 | 113.2 | V239 A243 L244 | V239-H241 PolarHBondContact O-N 3.3Å; H241-A243 PolarHBondContact O-N 2.86Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 3.07Å |
| 242 | E | 39.9 | Very low | 55.8 | Low | 168 Ų | 168 | 59.8 Ų | 59.8 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -73.9 | -24.4 | -175.8 | -64.1 | 178.4 | 155.1 | 0 | 0 | 113.6 | C240 L244 | C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.72Å; C240-E242 PolarHBondContact SG-N 3.5Å; C240-E242 VanDerWaalsContact SG-N 3.35Å; E242-L244 PolarHBondContact O-N 2.91Å |
| 243 | A | 40.3 | Very low | 56.1 | Low | 39 Ų | 39 | 59 Ų | 59 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -78.9 | -0.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T200 H241 T245 | T200-A243 HydrophobicContact CG2-CB 3.59Å; T200-A243 WeakPolarHBondContact CG2-O 3.38Å; H241-A243 PolarHBondContact O-N 2.86Å; A243-T245 PolarHBondContact O-N 3.22Å |
| 244 | L | 46.2 | Very low | 56.5 | Low | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.199 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -87 | 12.6 | -170.6 | -71.1 | 164.8 | 0 | 0 | 0 | 115.8 | T200 H241 E242 R246 | T200-L244 HydrophobicContact CG2-CD2 4.43Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 3.07Å; E242-L244 PolarHBondContact O-N 2.91Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å |
| 245 | T | 41 | Very low | 57.4 | Low | 126 Ų | 126 | 57.4 Ų | 57.4 | 77% | 0.773 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 23.8 | -172.8 | 36.4 | 0 | 0 | 0 | 0 | 116.4 | A243 | A243-T245 PolarHBondContact O-N 3.22Š|
| 246 | R | 45.6 | Very low | 58.7 | Low | 222 Ų | 222 | 54.9 Ų | 54.9 | 84% | 0.838 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.3 | 27.2 | -178.1 | -63.6 | -171.5 | 179.2 | 125 | -1 | 116.6 | L244 L248 | L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å; R246-L248 HydrophobicContact CB-CD1 4.47Å |
| 247 | G | 50.8 | Low | 60.7 | Low | 44 Ų | 44 | 48.7 Ų | 48.7 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 76.8 | 27.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 248 | L | 59.3 | Low | 62.5 | Low | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | trans | -98.7 | 149.8 | -178.2 | -56.8 | 165.6 | 0 | 0 | 0 | 110 | T200 N202 R246 | T200-L248 HydrophobicContact CG2-CD1 4.24Å; N202-L248 HydrophobicContact CB-CD1 4.39Å; N202-L248 HydrophobicContact CB-CD2 3.86Å; N202-L248 WeakPolarHBondContact ND2-CD1 3.13Å; N202-L248 VanDerWaalsContact ND2-CD2 3.3Å; N202-L248 WeakPolarHBondContact ND2-CD2 3.27Å; N202-L248 WeakPolarHBondContact OD1-CD1 3.46Å; R246-L248 HydrophobicContact CB-CD1 4.47Å | ||
| 249 | A | 61.7 | Low | 64.6 | Low | 12 Ų | 12 | 48.1 Ų | 48.1 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | trans | -67.4 | 146.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L201 D254 A255 | L201-A249 VanDerWaalsContact CB-O 3.3Å; L201-A249 WeakPolarHBondContact CB-O 3.32Å; L201-A249 HydrophobicContact CD1-CB 3.56Å; L201-A249 WeakPolarHBondContact CD1-O 3.34Å; L201-A249 WeakPolarHBondContact CG-O 3.4Å; A249-D254 VanDerWaalsContact CA-OD2 3.31Å; A249-D254 WeakPolarHBondContact CA-OD2 3.37Å; A249-D254 HydrophobicContact CB-CB 4.35Å; A249-A255 HydrophobicContact CB-CB 3.67Å | ||
| 250 | S | 70.2 | Confident | 66.4 | Low | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -97.2 | -41.6 | -172.9 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | D254 P280 | S250-D254 PolarHBondContact N-OD2 3.41Å; S250-D254 WeakPolarHBondContact OG-CB 3.34Å; S250-D254 PolarHBondContact OG-OD2 3.45Å; S250-P280 WeakPolarHBondContact OG-CD 3.29Å |
| 251 | C | 80.1 | Confident | 68.8 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -133.1 | 171.4 | 168.8 | 60.2 | 0 | 0 | 0 | 0 | 111 | L201 F233 L253 D254 A255 L278 | L201-C251 VanDerWaalsContact CD1-C 3.41Å; L201-C251 VanDerWaalsContact CD1-O 3.23Å; L201-C251 WeakPolarHBondContact CD1-O 3.37Å; F233-C251 HydrophobicContact CD1-CB 4.43Å; F233-C251 HydrophobicContact CE1-CB 3.76Å; F233-C251 HydrophobicContact CZ-CB 4.3Å; C251-L253 PolarHBondContact O-N 3.34Å; C251-D254 WeakPolarHBondContact O-CB 3.49Å; C251-D254 PolarHBondContact O-N 3.18Å; C251-D254 VanDerWaalsContact O-N 3.15Å; C251-A255 PolarHBondContact O-N 2.96Å; C251-L278 HydrophobicContact CB-CB 4.07Å; C251-L278 HydrophobicContact CB-CD1 4.5Å |
| 252 | L | 86.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -36.8 | 177.8 | -99.6 | -76.9 | 0 | 0 | 0 | 112.8 | L201 L209 F221 P231 D232 A255 V256 L269 | L201-L252 HydrophobicContact CD2-CD2 4.35Å; L209-L252 HydrophobicContact CB-CD1 4.3Å; L209-L252 HydrophobicContact CD2-CD1 4.06Å; L209-L252 HydrophobicContact CD2-CG 4.15Å; L209-L252 HydrophobicContact CG-CD1 3.92Å; F221-L252 HydrophobicContact CE2-CD1 4.42Å; P231-L252 WeakPolarHBondContact O-CB 3.27Å; D232-L252 PolarHBondContact O-N 3.25Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.48Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.09Å; L252-L269 HydrophobicContact CB-CD1 4.31Å; L252-L269 HydrophobicContact CB-CD2 4.37Å |
| 253 | L | 88.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 177.3 | -169.6 | 61.4 | 0 | 0 | 0 | 112.1 | C251 A255 V256 L257 V266 L269 L270 P276 V279 F302 | C251-L253 PolarHBondContact O-N 3.34Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; L253-V256 PolarHBondContact O-N 3.47Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.84Å; L253-L257 VanDerWaalsContact O-N 3.09Å; L253-V266 HydrophobicContact CD1-CG1 4.12Å; L253-V266 HydrophobicContact CD1-CG2 4.28Å; L253-L269 HydrophobicContact CB-CD1 4.15Å; L253-L269 HydrophobicContact CD1-CB 4.24Å; L253-L269 HydrophobicContact CD1-CD1 3.85Å; L253-L270 HydrophobicContact CD2-CD2 4.19Å; L253-P276 HydrophobicContact CD2-CB 4.31Å; L253-V279 HydrophobicContact CB-CG2 3.99Å; L253-V279 HydrophobicContact CD2-CG2 3.94Å; L253-V279 HydrophobicContact CG-CG2 4.01Å; L253-F302 HydrophobicContact CD2-CD2 3.79Å; L253-F302 HydrophobicContact CD2-CE2 4.07Å; L253-F302 HydrophobicContact CG-CD2 4.31Å |
| 254 | D | 84.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 172.7 | -175.6 | 22.7 | 0 | 0 | 0 | 111.1 | A249 S250 C251 L257 R258 V279 W281 | A249-D254 VanDerWaalsContact CA-OD2 3.31Å; A249-D254 WeakPolarHBondContact CA-OD2 3.37Å; A249-D254 HydrophobicContact CB-CB 4.35Å; S250-D254 PolarHBondContact N-OD2 3.41Å; S250-D254 WeakPolarHBondContact OG-CB 3.34Å; S250-D254 PolarHBondContact OG-OD2 3.45Å; C251-D254 WeakPolarHBondContact O-CB 3.49Å; C251-D254 PolarHBondContact O-N 3.18Å; C251-D254 VanDerWaalsContact O-N 3.15Å; D254-L257 PolarHBondContact O-N 2.93Å; D254-R258 VanDerWaalsContact CG-NE 3.29Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 VanDerWaalsContact O-CG 3.26Å; D254-R258 WeakPolarHBondContact O-CG 3.35Å; D254-R258 PolarHBondContact O-N 3.25Å; D254-R258 IonicContact OD1-CZ 2.9Å; D254-R258 IonicContact OD1-NE 2.63Å; D254-R258 PolarHBondContact OD1-NE 3.18Å; D254-R258 IonicContact OD1-NH2 3.96Å; D254-R258 PolarHBondContact OD1-NH2 3.37Å; D254-R258 IonicContact OD2-CZ 3.04Å; D254-R258 IonicContact OD2-NE 3.18Å; D254-R258 PolarHBondContact OD2-NE 3.01Å; D254-R258 IonicContact OD2-NH2 3.77Å; D254-R258 PolarHBondContact OD2-NH2 3.28Å; D254-R258 VanDerWaalsContact OD2-NH2 3.11Å; D254-V279 HydrophobicContact CB-CG1 4.28Å; D254-V279 HydrophobicContact CB-CG2 4.25Å; D254-W281 PolarHBondContact OD1-NE1 2.85Å |
| 255 | A | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L201 Y210 A249 C251 L252 L253 L257 R258 H259 | L201-A255 HydrophobicContact CD1-CB 4.28Å; Y210-A255 HydrophobicContact CD2-CB 3.72Å; Y210-A255 HydrophobicContact CE2-CB 3.64Å; A249-A255 HydrophobicContact CB-CB 3.67Å; C251-A255 PolarHBondContact O-N 2.96Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.48Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 3.49Å; A255-R258 PolarHBondContact O-N 3.36Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-CD2 3.2Å; A255-H259 PolarHBondContact O-N 3.04Å |
| 256 | V | 89.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56 | -45.1 | 177.6 | 164.6 | 0 | 0 | 0 | 0 | 110.9 | A213 F221 L252 L253 G260 C261 F265 V266 L269 | A213-V256 HydrophobicContact CB-CG2 3.84Å; F221-V256 HydrophobicContact CE2-CG2 4.41Å; F221-V256 HydrophobicContact CZ-CG2 4.21Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.09Å; L253-V256 PolarHBondContact O-N 3.47Å; V256-G260 PolarHBondContact O-N 2.96Å; V256-C261 HydrophobicContact CB-CB 4.49Å; V256-C261 HydrophobicContact CG1-CB 3.66Å; V256-C261 WeakPolarHBondContact O-CB 3.47Å; V256-C261 PolarHBondContact O-N 2.97Å; V256-C261 VanDerWaalsContact O-N 3.16Å; V256-C261 PolarHBondContact O-SG 3.07Å; V256-F265 HydrophobicContact CG1-CB 3.48Å; V256-F265 VanDerWaalsContact CG1-CB 3.48Å; V256-F265 HydrophobicContact CG1-CG 4.45Å; V256-F265 HydrophobicContact CG2-CB 4.24Å; V256-V266 HydrophobicContact CG1-CG2 3.78Å; V256-L269 HydrophobicContact CB-CD1 4.24Å; V256-L269 HydrophobicContact CG2-CD1 3.71Å |
| 257 | L | 88 | Confident | 84 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.9 | -68.2 | 168.8 | 0 | 0 | 0 | 112.1 | L253 D254 A255 H259 G260 V266 W281 V294 A298 F302 | L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.84Å; L253-L257 VanDerWaalsContact O-N 3.09Å; D254-L257 PolarHBondContact O-N 2.93Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 3.49Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.41Å; L257-G260 PolarHBondContact O-N 3.45Å; L257-G260 VanDerWaalsContact O-N 3.17Å; L257-V266 HydrophobicContact CD2-CG2 4.05Å; L257-W281 HydrophobicContact CB-CH2 3.51Å; L257-W281 HydrophobicContact CB-CZ2 3.73Å; L257-W281 HydrophobicContact CB-CZ3 4.43Å; L257-W281 HydrophobicContact CD1-CH2 4Å; L257-W281 HydrophobicContact CD1-CZ2 4.18Å; L257-W281 HydrophobicContact CD1-CZ3 4.25Å; L257-W281 HydrophobicContact CG-CH2 4.29Å; L257-V294 HydrophobicContact CB-CG1 4.4Å; L257-V294 HydrophobicContact CD2-CG1 4.17Å; L257-A298 HydrophobicContact CD2-CB 4.23Å; L257-F302 HydrophobicContact CD1-CB 4.28Å; L257-F302 HydrophobicContact CD1-CD1 3.98Å; L257-F302 HydrophobicContact CD1-CD2 4.09Å; L257-F302 HydrophobicContact CD1-CE1 4.36Å; L257-F302 HydrophobicContact CD1-CE2 4.47Å; L257-F302 HydrophobicContact CD1-CG 3.82Å; L257-F302 HydrophobicContact CD2-CB 4.3Å |
| 258 | R | 81.9 | Confident | 86.1 | Confident | 63 Ų | 63 | 23.2 Ų | 23.2 | 24% | 0.238 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.2 | -30.1 | 179.8 | -73.4 | -178.6 | -163.9 | -113 | 0.1 | 113.9 | D254 A255 W281 | D254-R258 VanDerWaalsContact CG-NE 3.29Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 VanDerWaalsContact O-CG 3.26Å; D254-R258 WeakPolarHBondContact O-CG 3.35Å; D254-R258 PolarHBondContact O-N 3.25Å; D254-R258 IonicContact OD1-CZ 2.9Å; D254-R258 IonicContact OD1-NE 2.63Å; D254-R258 PolarHBondContact OD1-NE 3.18Å; D254-R258 IonicContact OD1-NH2 3.96Å; D254-R258 PolarHBondContact OD1-NH2 3.37Å; D254-R258 IonicContact OD2-CZ 3.04Å; D254-R258 IonicContact OD2-NE 3.18Å; D254-R258 PolarHBondContact OD2-NE 3.01Å; D254-R258 IonicContact OD2-NH2 3.77Å; D254-R258 PolarHBondContact OD2-NH2 3.28Å; D254-R258 VanDerWaalsContact OD2-NH2 3.11Å; A255-R258 PolarHBondContact O-N 3.36Å; R258-W281 HydrophobicContact CG-CZ2 4.14Å |
| 259 | H | 84.2 | Confident | 87.8 | Confident | 69 Ų | 69 | 21.1 Ų | 21.1 | 32% | 0.319 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.6 | 175 | -72.8 | -49.5 | 0 | 0 | 0 | 112.6 | Y210 A255 L257 C261 | Y210-H259 AromaticContact CE2-NE2 3.53Å; Y210-H259 AromaticContact CZ-NE2 3.51Å; Y210-H259 PolarHBondContact OH-NE2 3.01Å; Y210-H259 VanDerWaalsContact OH-NE2 3.15Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-CD2 3.2Å; A255-H259 PolarHBondContact O-N 3.04Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.41Å; H259-C261 VanDerWaalsContact C-N 3.28Å; H259-C261 PolarHBondContact O-N 3.05Å |
| 260 | G | 87.4 | Confident | 89.4 | Confident | 24 Ų | 24 | 21.2 Ų | 21.2 | 25% | 0.247 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 31.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V256 L257 | V256-G260 PolarHBondContact O-N 2.96Å; L257-G260 PolarHBondContact O-N 3.45Å; L257-G260 VanDerWaalsContact O-N 3.17Å |
| 261 | C | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | trans | -62.3 | 151.1 | 174.1 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | A213 V256 H259 F265 | A213-C261 PolarHBondContact O-SG 3.31Å; A213-C261 VanDerWaalsContact O-SG 3.37Å; V256-C261 HydrophobicContact CB-CB 4.49Å; V256-C261 HydrophobicContact CG1-CB 3.66Å; V256-C261 WeakPolarHBondContact O-CB 3.47Å; V256-C261 PolarHBondContact O-N 2.97Å; V256-C261 VanDerWaalsContact O-N 3.16Å; V256-C261 PolarHBondContact O-SG 3.07Å; H259-C261 VanDerWaalsContact C-N 3.28Å; H259-C261 PolarHBondContact O-N 3.05Å; C261-F265 HydrophobicContact CB-CB 4.06Å; C261-F265 HydrophobicContact CB-CD2 3.78Å; C261-F265 HydrophobicContact CB-CE2 4.39Å; C261-F265 HydrophobicContact CB-CG 3.92Å | ||
| 262 | E | 94.5 | Very high | 91.1 | Very high | 85 Ų | 85 | 24.7 Ų | 24.7 | 40% | 0.397 | 13% | 0.128 | S | C | . | . | trans | -62 | 159.1 | 173.7 | 60.2 | 175.9 | 150.5 | 0 | 0 | 112.3 | L218 S264 F265 | L218-E262 WeakPolarHBondContact CD2-OE1 3.02Å; E262-S264 PolarHBondContact O-N 3.41Å; E262-S264 PolarHBondContact OE2-OG 3.31Å; E262-F265 HydrophobicContact CG-CD2 3.62Å; E262-F265 HydrophobicContact CG-CE2 3.86Å; E262-F265 PolarHBondContact O-N 3.23Å; E262-F265 VanDerWaalsContact O-N 3.08Å | ||
| 263 | V | 95.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 25 Ų | 25 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.3 | -28.3 | 180 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | F265 V266 H267 E297 A298 V301 | V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 3.31Å; V263-V266 PolarHBondContact O-N 3.35Å; V263-V266 VanDerWaalsContact O-N 3.08Å; V263-H267 PolarHBondContact O-N 3.33Å; V263-E297 HydrophobicContact CB-CB 4.38Å; V263-E297 HydrophobicContact CB-CG 3.94Å; V263-E297 HydrophobicContact CG1-CG 4.14Å; V263-E297 HydrophobicContact CG2-CG 3.92Å; V263-A298 HydrophobicContact CB-CB 4.47Å; V263-V301 HydrophobicContact CG2-CB 4.11Å; V263-V301 HydrophobicContact CG2-CG2 3.59Å |
| 264 | S | 97.2 | Very high | 91.4 | Very high | 36 Ų | 36 | 25 Ų | 25 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -55.4 | -38.3 | 177.9 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | E262 L268 | E262-S264 PolarHBondContact O-N 3.41Å; E262-S264 PolarHBondContact OE2-OG 3.31Å; S264-L268 WeakPolarHBondContact O-CB 3.5Å; S264-L268 VanDerWaalsContact O-CG 3.29Å; S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 3.04Å |
| 265 | F | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | 176.8 | -74.7 | -98.1 | 0 | 0 | 0 | 111.8 | A213 L218 F221 V256 C261 E262 V263 L268 L269 | A213-F265 HydrophobicContact CB-CD1 4.09Å; A213-F265 HydrophobicContact CB-CE1 4.1Å; L218-F265 VanDerWaalsContact CA-CZ 3.44Å; L218-F265 HydrophobicContact CB-CE2 3.89Å; L218-F265 HydrophobicContact CB-CZ 3.83Å; L218-F265 HydrophobicContact CD1-CD1 4.35Å; L218-F265 HydrophobicContact CD1-CD2 3.67Å; L218-F265 HydrophobicContact CD1-CE1 4.3Å; L218-F265 HydrophobicContact CD1-CE2 3.62Å; L218-F265 HydrophobicContact CD1-CG 4.05Å; L218-F265 HydrophobicContact CD1-CZ 3.96Å; L218-F265 HydrophobicContact CG-CE2 4.35Å; F221-F265 HydrophobicContact CB-CD1 4.1Å; F221-F265 HydrophobicContact CB-CE1 3.66Å; F221-F265 AromaticContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CE1 4.11Å; F221-F265 AromaticContact CD2-CD1 3.74Å; F221-F265 HydrophobicContact CD2-CD1 3.74Å; F221-F265 AromaticContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CE1-CB 4.47Å; F221-F265 AromaticContact CE1-CD1 3.86Å; F221-F265 HydrophobicContact CE1-CD1 3.86Å; F221-F265 AromaticContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CE1 4.46Å; F221-F265 AromaticContact CG-CD1 3.55Å; F221-F265 HydrophobicContact CG-CD1 3.55Å; F221-F265 AromaticContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CZ-CD1 4.04Å; V256-F265 HydrophobicContact CG1-CB 3.48Å; V256-F265 VanDerWaalsContact CG1-CB 3.48Å; V256-F265 HydrophobicContact CG1-CG 4.45Å; V256-F265 HydrophobicContact CG2-CB 4.24Å; C261-F265 HydrophobicContact CB-CB 4.06Å; C261-F265 HydrophobicContact CB-CD2 3.78Å; C261-F265 HydrophobicContact CB-CE2 4.39Å; C261-F265 HydrophobicContact CB-CG 3.92Å; E262-F265 HydrophobicContact CG-CD2 3.62Å; E262-F265 HydrophobicContact CG-CE2 3.86Å; E262-F265 PolarHBondContact O-N 3.23Å; E262-F265 VanDerWaalsContact O-N 3.08Å; V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 3.31Å; F265-L268 PolarHBondContact O-N 3.12Å; F265-L269 WeakPolarHBondContact O-CG 3.16Å; F265-L269 PolarHBondContact O-N 3.17Å |
| 266 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 110 | L253 V256 L257 V263 L268 L269 L270 A298 V301 F302 | L253-V266 HydrophobicContact CD1-CG1 4.12Å; L253-V266 HydrophobicContact CD1-CG2 4.28Å; V256-V266 HydrophobicContact CG1-CG2 3.78Å; L257-V266 HydrophobicContact CD2-CG2 4.05Å; V263-V266 PolarHBondContact O-N 3.35Å; V263-V266 VanDerWaalsContact O-N 3.08Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 3.47Å; V266-L269 PolarHBondContact O-N 3.47Å; V266-L270 HydrophobicContact CG1-CD1 3.62Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CB 3.26Å; V266-L270 WeakPolarHBondContact O-CB 3.46Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.21Å; V266-A298 HydrophobicContact CG2-CB 3.91Å; V266-V301 HydrophobicContact CG1-CB 4.36Å; V266-V301 HydrophobicContact CG1-CG1 3.92Å; V266-F302 HydrophobicContact CG1-CB 4.48Å |
| 267 | H | 95.8 | Very high | 91.7 | Very high | 99 Ų | 99 | 32.4 Ų | 32.4 | 46% | 0.458 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 174 | -81 | -53.4 | 0 | 0 | 0 | 112 | V263 L270 D271 | V263-H267 PolarHBondContact O-N 3.33Å; H267-L270 CarbonylContact O-C 3.54Å; H267-L270 PolarHBondContact O-N 2.67Å; H267-D271 WeakPolarHBondContact O-CA 3.25Å; H267-D271 WeakPolarHBondContact O-CB 3.41Å; H267-D271 PolarHBondContact O-N 3.18Å |
| 268 | L | 96.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 178.5 | -79.1 | 171.3 | 0 | 0 | 0 | 112.4 | L218 F221 R222 L225 S264 F265 V266 D271 H272 | L218-L268 HydrophobicContact CD1-CD1 3.65Å; L218-L268 HydrophobicContact CG-CD1 4.48Å; F221-L268 HydrophobicContact CD1-CB 4.31Å; F221-L268 HydrophobicContact CD1-CD1 4.01Å; F221-L268 HydrophobicContact CE1-CB 4.15Å; R222-L268 HydrophobicContact CB-CD1 3.93Å; R222-L268 HydrophobicContact CB-CD2 4.42Å; R222-L268 HydrophobicContact CG-CD1 4.42Å; R222-L268 HydrophobicContact CG-CD2 4.07Å; L225-L268 HydrophobicContact CD1-CB 3.71Å; S264-L268 WeakPolarHBondContact O-CB 3.5Å; S264-L268 VanDerWaalsContact O-CG 3.29Å; S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 3.04Å; F265-L268 PolarHBondContact O-N 3.12Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 3.47Å; L268-D271 PolarHBondContact O-N 3.29Å; L268-H272 WeakPolarHBondContact O-CB 3.46Å; L268-H272 PolarHBondContact O-CD2 2.91Å; L268-H272 PolarHBondContact O-N 3.21Å |
| 269 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 175.9 | -77.5 | -177.8 | 0 | 0 | 0 | 111.6 | L209 F221 L225 P231 L252 L253 V256 F265 V266 D271 H272 G273 A274 | L209-L269 HydrophobicContact CD2-CD2 4.33Å; F221-L269 HydrophobicContact CE1-CD2 4Å; F221-L269 HydrophobicContact CE1-CG 3.9Å; F221-L269 HydrophobicContact CZ-CD1 4.09Å; F221-L269 HydrophobicContact CZ-CD2 3.56Å; F221-L269 HydrophobicContact CZ-CG 3.62Å; L225-L269 HydrophobicContact CD1-CD2 4.46Å; L225-L269 HydrophobicContact CD2-CD2 4.42Å; P231-L269 HydrophobicContact CB-CD2 4Å; P231-L269 VanDerWaalsContact O-CD2 3.29Å; P231-L269 WeakPolarHBondContact O-CD2 3.39Å; L252-L269 HydrophobicContact CB-CD1 4.31Å; L252-L269 HydrophobicContact CB-CD2 4.37Å; L253-L269 HydrophobicContact CB-CD1 4.15Å; L253-L269 HydrophobicContact CD1-CB 4.24Å; L253-L269 HydrophobicContact CD1-CD1 3.85Å; V256-L269 HydrophobicContact CB-CD1 4.24Å; V256-L269 HydrophobicContact CG2-CD1 3.71Å; F265-L269 WeakPolarHBondContact O-CG 3.16Å; F265-L269 PolarHBondContact O-N 3.17Å; V266-L269 PolarHBondContact O-N 3.47Å; L269-D271 PolarHBondContact O-N 3.31Å; L269-H272 PolarHBondContact O-N 3.35Å; L269-G273 PolarHBondContact O-N 2.44Å; L269-A274 HydrophobicContact CB-CB 3.82Å; L269-A274 WeakPolarHBondContact O-CB 3.41Å; L269-A274 PolarHBondContact O-N 2.75Å |
| 270 | L | 93.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.7 | -20.2 | 178.4 | -68.2 | 178.2 | 0 | 0 | 0 | 113 | L253 V266 H267 P276 V301 A305 Y314 | L253-L270 HydrophobicContact CD2-CD2 4.19Å; V266-L270 HydrophobicContact CG1-CD1 3.62Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CB 3.26Å; V266-L270 WeakPolarHBondContact O-CB 3.46Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.21Å; H267-L270 CarbonylContact O-C 3.54Å; H267-L270 PolarHBondContact O-N 2.67Å; L270-P276 HydrophobicContact CD2-CG 3.7Å; L270-V301 HydrophobicContact CD1-CG1 3.78Å; L270-A305 HydrophobicContact CD1-CB 3.62Å; L270-A305 HydrophobicContact CD2-CB 3.9Å; L270-A305 HydrophobicContact CG-CB 4.41Å; L270-Y314 PolarHBondContact O-OH 3.48Å |
| 271 | D | 92.7 | Very high | 90.7 | Very high | 59 Ų | 59 | 31.6 Ų | 31.6 | 32% | 0.316 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -86.7 | -23.6 | 177.7 | -165.6 | 59.1 | 0 | 0 | 0 | 112.1 | H267 L268 L269 Y314 R317 H347 | H267-D271 WeakPolarHBondContact O-CA 3.25Å; H267-D271 WeakPolarHBondContact O-CB 3.41Å; H267-D271 PolarHBondContact O-N 3.18Å; L268-D271 PolarHBondContact O-N 3.29Å; L269-D271 PolarHBondContact O-N 3.31Å; D271-Y314 WeakPolarHBondContact CA-OH 3.23Å; D271-Y314 WeakPolarHBondContact O-CE2 3.43Å; D271-Y314 PolarHBondContact O-OH 3.25Å; D271-R317 PolarHBondContact O-NH2 3.21Å; D271-R317 IonicContact OD1-CZ 2.9Å; D271-R317 IonicContact OD1-NH1 3.64Å; D271-R317 IonicContact OD1-NH2 2.77Å; D271-R317 PolarHBondContact OD1-NH2 3.39Å; D271-R317 IonicContact OD2-CZ 3.34Å; D271-R317 IonicContact OD2-NH1 3.77Å; D271-R317 IonicContact OD2-NH2 2.67Å; D271-R317 PolarHBondContact OD2-NH2 2.91Å; D271-H347 PolarHBondContact O-CE1 3Å; D271-H347 VanDerWaalsContact O-CE1 3.3Å; D271-H347 IonicContact OD2-CE1 3Å; D271-H347 PolarHBondContact OD2-CE1 3.45Å; D271-H347 VanDerWaalsContact OD2-CE1 3.28Å; D271-H347 IonicContact OD2-CG 3.84Å; D271-H347 IonicContact OD2-ND1 3.82Å; D271-H347 PolarHBondContact OD2-ND1 3.47Å |
| 272 | H | 93.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -97.2 | -2.1 | 176.5 | -77.3 | -103 | 0 | 0 | 0 | 114.3 | L225 P231 L268 L269 Y314 H347 | L225-H272 HydrophobicContact CD2-CB 3.97Å; L225-H272 PolarHBondContact O-CE1 3.43Å; L225-H272 PolarHBondContact O-ND1 2.75Å; L225-H272 VanDerWaalsContact O-ND1 3.12Å; P231-H272 HydrophobicContact CB-CB 4.32Å; L268-H272 WeakPolarHBondContact O-CB 3.46Å; L268-H272 PolarHBondContact O-CD2 2.91Å; L268-H272 PolarHBondContact O-N 3.21Å; L269-H272 PolarHBondContact O-N 3.35Å; H272-Y314 PolarHBondContact N-OH 2.99Å; H272-H347 AromaticContact CD2-CE1 3.78Å; H272-H347 AromaticContact CE1-CD2 3.72Å; H272-H347 AromaticContact CE1-CE1 3.72Å; H272-H347 AromaticContact CE1-NE2 3.57Å; H272-H347 AromaticContact ND1-NE2 3.84Å; H272-H347 AromaticContact NE2-CE1 3.6Å; H272-H347 AromaticContact NE2-CG 3.87Å; H272-H347 AromaticContact NE2-ND1 3.61Å; H272-H347 AromaticContact NE2-NE2 3.91Å |
| 273 | G | 91.4 | Very high | 88 | Confident | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 30.7 | 168 | 0 | 0 | 0 | 0 | 0 | 114.8 | L269 Y314 I318 R322 | L269-G273 PolarHBondContact O-N 2.44Å; G273-Y314 VanDerWaalsContact CA-OH 3.31Å; G273-Y314 WeakPolarHBondContact CA-OH 3.18Å; G273-Y314 PolarHBondContact N-OH 3.2Å; G273-I318 VanDerWaalsContact CA-CD1 3.47Å; G273-R322 PolarHBondContact O-NH2 3Å; G273-R322 VanDerWaalsContact O-NH2 3.09Å |
| 274 | A | 91.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -59.4 | 138.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P231 D232 L269 P276 | P231-A274 HydrophobicContact CB-CB 4.05Å; D232-A274 WeakPolarHBondContact OD1-CA 3.38Å; L269-A274 HydrophobicContact CB-CB 3.82Å; L269-A274 WeakPolarHBondContact O-CB 3.41Å; L269-A274 PolarHBondContact O-N 2.75Å; A274-P276 WeakPolarHBondContact O-CD 3.22Å | ||
| 275 | D | 88.4 | Confident | 83.8 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | trans | -91.7 | 112 | 178.4 | -176.8 | -2.5 | 0 | 0 | 0 | 110.9 | D232 A277 L278 | D232-D275 PolarHBondContact OD1-N 3.29Å; D275-A277 PolarHBondContact O-N 3.42Å; D275-A277 VanDerWaalsContact OD1-CB 3.23Å; D275-A277 WeakPolarHBondContact OD1-CB 3.09Å; D275-A277 PolarHBondContact OD1-N 2.86Å; D275-L278 HydrophobicContact CB-CD1 3.84Å; D275-L278 HydrophobicContact CB-CG 3.92Å; D275-L278 WeakPolarHBondContact O-CB 3.31Å; D275-L278 PolarHBondContact O-N 3.35Å | ||
| 276 | P | 89.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -62.5 | -23 | 177.9 | -18.5 | 31.2 | 0 | 0 | 0 | 114 | L253 L270 A274 L278 V279 F302 A305 R306 | L253-P276 HydrophobicContact CD2-CB 4.31Å; L270-P276 HydrophobicContact CD2-CG 3.7Å; A274-P276 WeakPolarHBondContact O-CD 3.22Å; P276-L278 PolarHBondContact O-N 3.34Å; P276-V279 PolarHBondContact O-N 2.95Å; P276-F302 HydrophobicContact CB-CD2 4.29Å; P276-F302 HydrophobicContact CB-CE2 4.01Å; P276-A305 HydrophobicContact CG-CB 3.98Å; P276-R306 HydrophobicContact CB-CB 4.12Å; P276-R306 HydrophobicContact CB-CG 4.47Å |
| 277 | A | 86.5 | Confident | 79.8 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 63% | 0.628 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -69 | -19 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D275 V279 | D275-A277 PolarHBondContact O-N 3.42Å; D275-A277 VanDerWaalsContact OD1-CB 3.23Å; D275-A277 WeakPolarHBondContact OD1-CB 3.09Å; D275-A277 PolarHBondContact OD1-N 2.86Å; A277-V279 PolarHBondContact O-N 2.95Å |
| 278 | L | 82.1 | Confident | 77.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -72.7 | -12.5 | 177.1 | -62.3 | 174.2 | 0 | 0 | 0 | 113.4 | D232 F233 C251 D275 P276 P280 | D232-L278 HydrophobicContact CB-CD1 3.92Å; F233-L278 HydrophobicContact CE2-CD1 3.8Å; F233-L278 HydrophobicContact CZ-CD1 3.61Å; F233-L278 HydrophobicContact CZ-CD2 4.33Å; F233-L278 HydrophobicContact CZ-CG 4.47Å; C251-L278 HydrophobicContact CB-CB 4.07Å; C251-L278 HydrophobicContact CB-CD1 4.5Å; D275-L278 HydrophobicContact CB-CD1 3.84Å; D275-L278 HydrophobicContact CB-CG 3.92Å; D275-L278 WeakPolarHBondContact O-CB 3.31Å; D275-L278 PolarHBondContact O-N 3.35Å; P276-L278 PolarHBondContact O-N 3.34Å; L278-P280 WeakPolarHBondContact O-CD 3.47Å |
| 279 | V | 83.6 | Confident | 75.5 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | trans | -85.2 | 113.6 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | L253 D254 P276 A277 W281 F302 | L253-V279 HydrophobicContact CB-CG2 3.99Å; L253-V279 HydrophobicContact CD2-CG2 3.94Å; L253-V279 HydrophobicContact CG-CG2 4.01Å; D254-V279 HydrophobicContact CB-CG1 4.28Å; D254-V279 HydrophobicContact CB-CG2 4.25Å; P276-V279 PolarHBondContact O-N 2.95Å; A277-V279 PolarHBondContact O-N 2.95Å; V279-W281 HydrophobicContact CG1-CB 4.18Å; V279-W281 HydrophobicContact CG1-CD2 3.9Å; V279-W281 HydrophobicContact CG1-CG 3.56Å; V279-W281 PolarHBondContact O-N 3.41Å; V279-F302 HydrophobicContact CB-CE2 3.73Å; V279-F302 HydrophobicContact CB-CZ 3.64Å; V279-F302 HydrophobicContact CG1-CE1 4.36Å; V279-F302 HydrophobicContact CG1-CE2 4.09Å; V279-F302 HydrophobicContact CG1-CZ 3.64Å; V279-F302 HydrophobicContact CG2-CE2 3.66Å; V279-F302 HydrophobicContact CG2-CZ 4.08Å | ||
| 280 | P | 76.2 | Confident | 73.6 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | trans | -80.9 | 25.3 | -169.5 | 34.9 | -38.5 | 0 | 0 | 0 | 113.7 | S250 L278 E282 | S250-P280 WeakPolarHBondContact OG-CD 3.29Å; L278-P280 WeakPolarHBondContact O-CD 3.47Å; P280-E282 PolarHBondContact O-N 3.24Å | ||
| 281 | W | 78.3 | Confident | 72 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 9% | 0.087 | 40% | 0.397 | C | S | . | . | trans | -78.7 | 114.6 | -173.6 | -65.6 | 13.3 | 0 | 0 | 0 | 111 | D254 L257 R258 V279 L286 V294 L299 F302 R306 | D254-W281 PolarHBondContact OD1-NE1 2.85Å; L257-W281 HydrophobicContact CB-CH2 3.51Å; L257-W281 HydrophobicContact CB-CZ2 3.73Å; L257-W281 HydrophobicContact CB-CZ3 4.43Å; L257-W281 HydrophobicContact CD1-CH2 4Å; L257-W281 HydrophobicContact CD1-CZ2 4.18Å; L257-W281 HydrophobicContact CD1-CZ3 4.25Å; L257-W281 HydrophobicContact CG-CH2 4.29Å; R258-W281 HydrophobicContact CG-CZ2 4.14Å; V279-W281 HydrophobicContact CG1-CB 4.18Å; V279-W281 HydrophobicContact CG1-CD2 3.9Å; V279-W281 HydrophobicContact CG1-CG 3.56Å; V279-W281 PolarHBondContact O-N 3.41Å; W281-L286 HydrophobicContact CE3-CD2 3.67Å; W281-L286 HydrophobicContact CZ3-CD2 4.12Å; W281-V294 HydrophobicContact CH2-CG1 4.23Å; W281-V294 HydrophobicContact CH2-CG2 3.76Å; W281-V294 HydrophobicContact CZ3-CG1 4.48Å; W281-V294 HydrophobicContact CZ3-CG2 4.29Å; W281-L299 HydrophobicContact CE3-CD1 4.31Å; W281-L299 HydrophobicContact CZ3-CD1 3.87Å; W281-F302 HydrophobicContact CE3-CE1 4.42Å; W281-R306 PolarHBondContact O-NH1 3.18Å | ||
| 282 | E | 69.1 | Low | 70.3 | Confident | 135 Ų | 135 | 77.7 Ų | 77.7 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | trans | -78 | 153 | 169.3 | -65.7 | -172.8 | 176.5 | 0 | 0 | 111 | P280 V284 E285 | P280-E282 PolarHBondContact O-N 3.24Å; E282-V284 PolarHBondContact O-N 3.03Å; E282-V284 VanDerWaalsContact O-N 3.16Å; E282-E285 HydrophobicContact CB-CG 4.5Å; E282-E285 PolarHBondContact O-N 3.28Å; E282-E285 VanDerWaalsContact O-N 3.13Å | ||
| 283 | Q | 59.3 | Low | 69.1 | Low | 147 Ų | 147 | 86.3 Ų | 86.3 | 69% | 0.687 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -57.7 | -31.2 | -179.1 | -76.8 | -179.9 | -12.3 | 0 | 0 | 112.7 | E285 L286 | Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.31Å; Q283-L286 WeakPolarHBondContact O-CB 3.42Å; Q283-L286 PolarHBondContact O-N 2.98Å |
| 284 | V | 51 | Low | 68.6 | Low | 115 Ų | 115 | 86.9 Ų | 86.9 | 70% | 0.697 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -71.1 | -26.7 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | E282 L286 | E282-V284 PolarHBondContact O-N 3.03Å; E282-V284 VanDerWaalsContact O-N 3.16Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 2.93Å |
| 285 | E | 55.1 | Low | 68.5 | Low | 111 Ų | 111 | 89.3 Ų | 89.3 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -77.5 | -17.8 | 177.7 | -62.5 | -176.1 | 145.2 | 0 | 0 | 112.9 | E282 Q283 E287 | E282-E285 HydrophobicContact CB-CG 4.5Å; E282-E285 PolarHBondContact O-N 3.28Å; E282-E285 VanDerWaalsContact O-N 3.13Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.31Å; E285-E287 VanDerWaalsContact C-N 3.27Å; E285-E287 PolarHBondContact O-N 3.18Å |
| 286 | L | 55.6 | Low | 68.5 | Low | 32 Ų | 32 | 90.8 Ų | 90.8 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -71.9 | -22.1 | 178.2 | -61.5 | 170.9 | 0 | 0 | 0 | 112.5 | W281 Q283 V284 R291 L299 L303 | W281-L286 HydrophobicContact CE3-CD2 3.67Å; W281-L286 HydrophobicContact CZ3-CD2 4.12Å; Q283-L286 WeakPolarHBondContact O-CB 3.42Å; Q283-L286 PolarHBondContact O-N 2.98Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 2.93Å; L286-R291 VanDerWaalsContact O-CZ 3.26Å; L286-R291 PolarHBondContact O-NH1 2.94Å; L286-L299 HydrophobicContact CD2-CD1 3.97Å; L286-L299 HydrophobicContact CD2-CD2 4.35Å; L286-L303 HydrophobicContact CD1-CD2 4.35Å |
| 287 | E | 51.7 | Low | 68.6 | Low | 175 Ų | 175 | 93.6 Ų | 93.6 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -103.7 | -1.3 | -171.1 | -60.2 | -170.3 | 166.3 | 0 | 0 | 114 | E285 | E285-E287 VanDerWaalsContact C-N 3.27Å; E285-E287 PolarHBondContact O-N 3.18Å |
| 288 | A | 54.5 | Low | 68.9 | Low | 51 Ų | 51 | 90 Ų | 90 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | trans | -73.8 | 139.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N290 | A288-N290 PolarHBondContact O-N 3.27Š| ||
| 289 | P | 47.6 | Very low | 69.4 | Low | 126 Ų | 126 | 89 Ų | 89 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.3 | -170.5 | 25.9 | -34 | 0 | 0 | 0 | 115.8 | R291 | P289-R291 VanDerWaalsContact C-N 3.32Å; P289-R291 PolarHBondContact O-N 3.49Å |
| 290 | N | 54 | Low | 69.7 | Low | 162 Ų | 162 | 96.3 Ų | 96.3 | 87% | 0.866 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 35.2 | -178.4 | -73 | -11.4 | 0 | 0 | 0 | 113.3 | A288 | A288-N290 PolarHBondContact O-N 3.27Š|
| 291 | R | 60.1 | Low | 70.6 | Confident | 101 Ų | 101 | 94 Ų | 94 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | trans | -75.5 | 137.7 | -164.5 | -140.5 | 177.3 | 179.9 | -163.5 | -10 | 113.6 | L286 P289 | L286-R291 VanDerWaalsContact O-CZ 3.26Å; L286-R291 PolarHBondContact O-NH1 2.94Å; P289-R291 VanDerWaalsContact C-N 3.32Å; P289-R291 PolarHBondContact O-N 3.49Å | ||
| 292 | R | 58.4 | Low | 71.2 | Confident | 153 Ų | 153 | 92.9 Ų | 92.9 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | trans | -59.9 | 134.2 | 155.1 | -72.1 | -177.5 | 179.6 | 171.4 | 3.2 | 107.9 | V294 | R292-V294 VanDerWaalsContact C-N 3.35Å; R292-V294 PolarHBondContact O-N 2.83Å | ||
| 293 | K | 67.8 | Low | 72.3 | Confident | 199 Ų | 199 | 88.5 Ų | 88.5 | 87% | 0.865 | 44% | 0.441 | S | S | * | . | trans | -69.7 | 86.4 | -175.1 | -168.3 | 178.5 | -178.8 | -177.2 | 0 | 110.3 | ||||
| 294 | V | 81.1 | Confident | 73.8 | Confident | 18 Ų | 18 | 86.5 Ų | 86.5 | 11% | 0.109 | 43% | 0.432 | C | S | . | . | trans | -74 | 137.6 | 171.5 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | L257 W281 R292 P296 L299 | L257-V294 HydrophobicContact CB-CG1 4.4Å; L257-V294 HydrophobicContact CD2-CG1 4.17Å; W281-V294 HydrophobicContact CH2-CG1 4.23Å; W281-V294 HydrophobicContact CH2-CG2 3.76Å; W281-V294 HydrophobicContact CZ3-CG1 4.48Å; W281-V294 HydrophobicContact CZ3-CG2 4.29Å; R292-V294 VanDerWaalsContact C-N 3.35Å; R292-V294 PolarHBondContact O-N 2.83Å; V294-P296 WeakPolarHBondContact O-CD 3.44Å; V294-L299 HydrophobicContact CG1-CB 4.13Å | ||
| 295 | D | 87.8 | Confident | 75.7 | Confident | 53 Ų | 53 | 82 Ų | 82 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | trans | -62.5 | 125.2 | 173.5 | 179.9 | -87.8 | 0 | 0 | 0 | 110.4 | E297 A298 L299 | D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.46Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.5Å; D295-E297 PolarHBondContact OD1-N 3.37Å; D295-A298 HydrophobicContact CB-CB 3.82Å; D295-A298 PolarHBondContact O-N 3.16Å; D295-A298 PolarHBondContact OD1-N 3.3Å; D295-L299 WeakPolarHBondContact O-CB 3.37Å; D295-L299 PolarHBondContact O-N 2.91Å | ||
| 296 | P | 88.7 | Confident | 77.4 | Confident | 103 Ų | 103 | 80.9 Ų | 80.9 | 67% | 0.669 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.6 | -33.9 | -175.6 | -24.2 | 33.7 | 0 | 0 | 0 | 113.7 | V294 R300 | V294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-R300 WeakPolarHBondContact O-CB 3.29Å; P296-R300 PolarHBondContact O-N 3.27Å |
| 297 | E | 92.9 | Very high | 79 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.5 | -44.4 | -178.6 | -174.9 | 54.1 | -135.5 | 0 | 0 | 110.5 | V263 D295 L299 R300 V301 | V263-E297 HydrophobicContact CB-CB 4.38Å; V263-E297 HydrophobicContact CB-CG 3.94Å; V263-E297 HydrophobicContact CG1-CG 4.14Å; V263-E297 HydrophobicContact CG2-CG 3.92Å; D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.46Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.5Å; D295-E297 PolarHBondContact OD1-N 3.37Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.45Å; E297-R300 WeakPolarHBondContact O-CB 3.27Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.7Å; E297-R300 IonicContact OE1-NE 3.07Å; E297-R300 PolarHBondContact OE1-NE 3.4Å; E297-R300 IonicContact OE1-NH2 3.69Å; E297-R300 PolarHBondContact OE1-NH2 3.21Å; E297-R300 IonicContact OE2-CZ 3.84Å; E297-R300 IonicContact OE2-NE 3.22Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH1 3.73Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 2.8Å; E297-V301 WeakPolarHBondContact O-CG2 3.22Å; E297-V301 PolarHBondContact O-N 3.27Å |
| 298 | A | 92.9 | Very high | 80.6 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.008 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L257 V263 V266 D295 V301 F302 | L257-A298 HydrophobicContact CD2-CB 4.23Å; V263-A298 HydrophobicContact CB-CB 4.47Å; V266-A298 HydrophobicContact CG2-CB 3.91Å; D295-A298 HydrophobicContact CB-CB 3.82Å; D295-A298 PolarHBondContact O-N 3.16Å; D295-A298 PolarHBondContact OD1-N 3.3Å; A298-V301 PolarHBondContact O-N 3Å; A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.44Å |
| 299 | L | 90.8 | Very high | 81.8 | Confident | 22 Ų | 22 | 85.5 Ų | 85.5 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.6 | -179.9 | 57 | 0 | 0 | 0 | 111.9 | W281 L286 V294 D295 E297 F302 L303 | W281-L299 HydrophobicContact CE3-CD1 4.31Å; W281-L299 HydrophobicContact CZ3-CD1 3.87Å; L286-L299 HydrophobicContact CD2-CD1 3.97Å; L286-L299 HydrophobicContact CD2-CD2 4.35Å; V294-L299 HydrophobicContact CG1-CB 4.13Å; D295-L299 WeakPolarHBondContact O-CB 3.37Å; D295-L299 PolarHBondContact O-N 2.91Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.45Å; L299-F302 HydrophobicContact CD1-CD1 4.1Å; L299-F302 PolarHBondContact O-N 3.12Å; L299-L303 HydrophobicContact CD1-CD1 4.06Å; L299-L303 HydrophobicContact CD1-CG 4.07Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.33Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.15Å; L299-L303 PolarHBondContact O-N 3.36Å |
| 300 | R | 91.4 | Very high | 83.5 | Confident | 159 Ų | 159 | 82.5 Ų | 82.5 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60 | -49.9 | 177.8 | -177 | 178.2 | 73.4 | 166.3 | 6.9 | 111.5 | P296 E297 F302 L303 E304 | P296-R300 WeakPolarHBondContact O-CB 3.29Å; P296-R300 PolarHBondContact O-N 3.27Å; E297-R300 WeakPolarHBondContact O-CB 3.27Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.7Å; E297-R300 IonicContact OE1-NE 3.07Å; E297-R300 PolarHBondContact OE1-NE 3.4Å; E297-R300 IonicContact OE1-NH2 3.69Å; E297-R300 PolarHBondContact OE1-NH2 3.21Å; E297-R300 IonicContact OE2-CZ 3.84Å; E297-R300 IonicContact OE2-NE 3.22Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH1 3.73Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 2.8Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 2.89Å; R300-L303 PolarHBondContact O-N 3.23Å; R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.32Å |
| 301 | V | 93.8 | Very high | 85.2 | Confident | 21 Ų | 21 | 84.6 Ų | 84.6 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V263 V266 L270 E297 A298 E304 A305 | V263-V301 HydrophobicContact CG2-CB 4.11Å; V263-V301 HydrophobicContact CG2-CG2 3.59Å; V266-V301 HydrophobicContact CG1-CB 4.36Å; V266-V301 HydrophobicContact CG1-CG1 3.92Å; L270-V301 HydrophobicContact CD1-CG1 3.78Å; E297-V301 WeakPolarHBondContact O-CG2 3.22Å; E297-V301 PolarHBondContact O-N 3.27Å; A298-V301 PolarHBondContact O-N 3Å; V301-E304 PolarHBondContact O-N 2.91Å; V301-A305 WeakPolarHBondContact O-CB 3.5Å; V301-A305 PolarHBondContact O-N 3.12Å |
| 302 | F | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59 | -49.6 | 174.7 | 161.3 | -108 | 0 | 0 | 0 | 112.3 | L253 L257 V266 P276 V279 W281 A298 L299 R300 E304 A305 R306 | L253-F302 HydrophobicContact CD2-CD2 3.79Å; L253-F302 HydrophobicContact CD2-CE2 4.07Å; L253-F302 HydrophobicContact CG-CD2 4.31Å; L257-F302 HydrophobicContact CD1-CB 4.28Å; L257-F302 HydrophobicContact CD1-CD1 3.98Å; L257-F302 HydrophobicContact CD1-CD2 4.09Å; L257-F302 HydrophobicContact CD1-CE1 4.36Å; L257-F302 HydrophobicContact CD1-CE2 4.47Å; L257-F302 HydrophobicContact CD1-CG 3.82Å; L257-F302 HydrophobicContact CD2-CB 4.3Å; V266-F302 HydrophobicContact CG1-CB 4.48Å; P276-F302 HydrophobicContact CB-CD2 4.29Å; P276-F302 HydrophobicContact CB-CE2 4.01Å; V279-F302 HydrophobicContact CB-CE2 3.73Å; V279-F302 HydrophobicContact CB-CZ 3.64Å; V279-F302 HydrophobicContact CG1-CE1 4.36Å; V279-F302 HydrophobicContact CG1-CE2 4.09Å; V279-F302 HydrophobicContact CG1-CZ 3.64Å; V279-F302 HydrophobicContact CG2-CE2 3.66Å; V279-F302 HydrophobicContact CG2-CZ 4.08Å; W281-F302 HydrophobicContact CE3-CE1 4.42Å; A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.44Å; L299-F302 HydrophobicContact CD1-CD1 4.1Å; L299-F302 PolarHBondContact O-N 3.12Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 2.89Å; F302-E304 VanDerWaalsContact C-N 3.28Å; F302-E304 PolarHBondContact O-N 3.45Å; F302-A305 PolarHBondContact O-N 2.55Å; F302-R306 PolarHBondContact O-N 3.47Å |
| 303 | L | 90.8 | Very high | 88.2 | Confident | 43 Ų | 43 | 82.8 Ų | 82.8 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | -179.1 | -71.9 | 173.6 | 0 | 0 | 0 | 112.2 | L286 L299 R300 R306 K307 | L286-L303 HydrophobicContact CD1-CD2 4.35Å; L299-L303 HydrophobicContact CD1-CD1 4.06Å; L299-L303 HydrophobicContact CD1-CG 4.07Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.33Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.15Å; L299-L303 PolarHBondContact O-N 3.36Å; R300-L303 PolarHBondContact O-N 3.23Å; L303-R306 PolarHBondContact O-N 3.37Å; L303-K307 WeakPolarHBondContact O-CG 3.23Å; L303-K307 PolarHBondContact O-N 2.86Å |
| 304 | E | 91.7 | Very high | 89.3 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 49% | 0.486 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 175.5 | -172 | 67.2 | 178.8 | 0 | 0 | 111.6 | R300 V301 F302 R306 K307 N308 | R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.32Å; V301-E304 PolarHBondContact O-N 2.91Å; F302-E304 VanDerWaalsContact C-N 3.28Å; F302-E304 PolarHBondContact O-N 3.45Å; E304-R306 PolarHBondContact O-N 2.85Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.12Å; E304-N308 PolarHBondContact O-N 3.06Å; E304-N308 PolarHBondContact OE1-ND2 3.08Å |
| 305 | A | 91.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -30.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L270 P276 V301 F302 | L270-A305 HydrophobicContact CD1-CB 3.62Å; L270-A305 HydrophobicContact CD2-CB 3.9Å; L270-A305 HydrophobicContact CG-CB 4.41Å; P276-A305 HydrophobicContact CG-CB 3.98Å; V301-A305 WeakPolarHBondContact O-CB 3.5Å; V301-A305 PolarHBondContact O-N 3.12Å; F302-A305 PolarHBondContact O-N 2.55Å |
| 306 | R | 89.3 | Confident | 90 | Very high | 87 Ų | 87 | 77.7 Ų | 77.7 | 33% | 0.328 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.1 | -29.1 | 175.9 | -166.4 | 169.5 | 70.3 | 169.1 | 1.9 | 113.1 | P276 W281 F302 L303 E304 | P276-R306 HydrophobicContact CB-CB 4.12Å; P276-R306 HydrophobicContact CB-CG 4.47Å; W281-R306 PolarHBondContact O-NH1 3.18Å; F302-R306 PolarHBondContact O-N 3.47Å; L303-R306 PolarHBondContact O-N 3.37Å; E304-R306 PolarHBondContact O-N 2.85Å |
| 307 | K | 89.4 | Confident | 90.2 | Very high | 154 Ų | 154 | 73.4 Ų | 73.4 | 67% | 0.67 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -86.2 | -37.5 | -179.6 | -71.1 | 175.3 | -177.2 | 178 | 0 | 112.5 | L303 E304 | L303-K307 WeakPolarHBondContact O-CG 3.23Å; L303-K307 PolarHBondContact O-N 2.86Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.12Å |
| 308 | N | 87.1 | Confident | 90.2 | Very high | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -104.1 | 127.4 | -170.3 | -65.5 | -31.8 | 0 | 0 | 0 | 111.7 | E304 | E304-N308 PolarHBondContact O-N 3.06Å; E304-N308 PolarHBondContact OE1-ND2 3.08Å |
| 309 | P | 79.3 | Confident | 90.1 | Very high | 122 Ų | 122 | 79.2 Ų | 79.2 | 79% | 0.792 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 143.6 | 173.8 | 27.8 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 310 | H | 83.4 | Confident | 90.2 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 148.8 | 176.1 | -66.8 | -72.5 | 0 | 0 | 0 | 112.2 | Y314 L315 | H310-Y314 HydrophobicContact CB-CD1 3.55Å; H310-Y314 HydrophobicContact CB-CE1 4.2Å; H310-Y314 HydrophobicContact CB-CG 4.39Å; H310-Y314 AromaticContact CE1-CE1 3.68Å; H310-Y314 AromaticContact CG-CD1 3.53Å; H310-Y314 AromaticContact CG-CE1 3.66Å; H310-Y314 AromaticContact ND1-CD1 3.53Å; H310-Y314 AromaticContact ND1-CE1 3.41Å; H310-Y314 WeakPolarHBondContact ND1-CE1 3.46Å; H310-L315 HydrophobicContact CB-CD2 3.96Å; H310-L315 HydrophobicContact CB-CG 4.1Å |
| 311 | R | 88.3 | Confident | 90.3 | Very high | 207 Ų | 207 | 74.8 Ų | 74.8 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 145.3 | 171.8 | -66.7 | -177.4 | 177 | -177 | -0.6 | 110.5 | T313 Y314 L315 | R311-T313 VanDerWaalsContact C-N 3.26Å; R311-T313 PolarHBondContact O-N 3.21Å; R311-Y314 VanDerWaalsContact O-CB 3.27Å; R311-Y314 WeakPolarHBondContact O-CB 3.36Å; R311-Y314 PolarHBondContact O-N 2.99Å; R311-L315 PolarHBondContact O-N 3.26Å; R311-L315 VanDerWaalsContact O-N 3.17Å |
| 312 | L | 90.6 | Very high | 90 | Very high | 132 Ų | 132 | 79.2 Ų | 79.2 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55 | -41.2 | 179.3 | -179.9 | 61.2 | 0 | 0 | 0 | 112.8 | Y314 L315 C316 | L312-Y314 PolarHBondContact O-N 3.37Å; L312-L315 PolarHBondContact O-N 3.08Å; L312-C316 PolarHBondContact O-N 3.01Å; L312-C316 PolarHBondContact O-SG 3.1Å |
| 313 | T | 91.3 | Very high | 89.9 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 178 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | R311 C316 R317 F344 | R311-T313 VanDerWaalsContact C-N 3.26Å; R311-T313 PolarHBondContact O-N 3.21Å; T313-C316 WeakPolarHBondContact O-CB 3.11Å; T313-C316 PolarHBondContact O-N 3.45Å; T313-R317 PolarHBondContact O-N 3.29Å; T313-R317 VanDerWaalsContact O-N 3.07Å; T313-F344 WeakPolarHBondContact O-CE1 3.16Å; T313-F344 WeakPolarHBondContact O-CZ 3.39Å |
| 314 | Y | 90.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 9% | 0.09 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 178.7 | 179.1 | -90.7 | 0 | 0 | 0 | 111.6 | L270 D271 H272 G273 H310 R311 L312 C316 R317 I318 | L270-Y314 PolarHBondContact O-OH 3.48Å; D271-Y314 WeakPolarHBondContact CA-OH 3.23Å; D271-Y314 WeakPolarHBondContact O-CE2 3.43Å; D271-Y314 PolarHBondContact O-OH 3.25Å; H272-Y314 PolarHBondContact N-OH 2.99Å; G273-Y314 VanDerWaalsContact CA-OH 3.31Å; G273-Y314 WeakPolarHBondContact CA-OH 3.18Å; G273-Y314 PolarHBondContact N-OH 3.2Å; H310-Y314 HydrophobicContact CB-CD1 3.55Å; H310-Y314 HydrophobicContact CB-CE1 4.2Å; H310-Y314 HydrophobicContact CB-CG 4.39Å; H310-Y314 AromaticContact CE1-CE1 3.68Å; H310-Y314 AromaticContact CG-CD1 3.53Å; H310-Y314 AromaticContact CG-CE1 3.66Å; H310-Y314 AromaticContact ND1-CD1 3.53Å; H310-Y314 AromaticContact ND1-CE1 3.41Å; H310-Y314 WeakPolarHBondContact ND1-CE1 3.46Å; R311-Y314 VanDerWaalsContact O-CB 3.27Å; R311-Y314 WeakPolarHBondContact O-CB 3.36Å; R311-Y314 PolarHBondContact O-N 2.99Å; L312-Y314 PolarHBondContact O-N 3.37Å; Y314-C316 VanDerWaalsContact C-N 3.31Å; Y314-C316 PolarHBondContact O-N 3.3Å; Y314-R317 PolarHBondContact O-N 3.15Å; Y314-I318 HydrophobicContact CD1-CD1 3.68Å; Y314-I318 HydrophobicContact CE1-CD1 3.1Å; Y314-I318 HydrophobicContact CE1-CG1 4.02Å; Y314-I318 PolarHBondContact O-N 3.12Å; Y314-I318 VanDerWaalsContact O-N 3.09Å |
| 315 | L | 90.8 | Very high | 89.5 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 173.3 | -64 | 176 | 0 | 0 | 0 | 112 | H310 R311 L312 R317 I318 R319 | H310-L315 HydrophobicContact CB-CD2 3.96Å; H310-L315 HydrophobicContact CB-CG 4.1Å; R311-L315 PolarHBondContact O-N 3.26Å; R311-L315 VanDerWaalsContact O-N 3.17Å; L312-L315 PolarHBondContact O-N 3.08Å; L315-R317 PolarHBondContact O-N 3.43Å; L315-I318 PolarHBondContact O-N 3.17Å; L315-R319 WeakPolarHBondContact O-CB 3.1Å; L315-R319 PolarHBondContact O-N 2.95Å |
| 316 | C | 93 | Very high | 89.3 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | L312 T313 Y314 R319 I320 | L312-C316 PolarHBondContact O-N 3.01Å; L312-C316 PolarHBondContact O-SG 3.1Å; T313-C316 WeakPolarHBondContact O-CB 3.11Å; T313-C316 PolarHBondContact O-N 3.45Å; Y314-C316 VanDerWaalsContact C-N 3.31Å; Y314-C316 PolarHBondContact O-N 3.3Å; C316-R319 PolarHBondContact O-N 2.79Å; C316-I320 WeakPolarHBondContact O-CB 3.49Å; C316-I320 WeakPolarHBondContact O-CD1 3.19Å; C316-I320 VanDerWaalsContact O-CG1 3.22Å; C316-I320 WeakPolarHBondContact O-CG1 3.26Å; C316-I320 PolarHBondContact O-N 2.94Å |
| 317 | R | 94.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 81 Ų | 81 | 5% | 0.049 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59 | -49.8 | 177.4 | 176.8 | 172.9 | 68.7 | -176.8 | 4.9 | 112.1 | D271 T313 Y314 L315 R319 I320 R321 F344 L345 H347 | D271-R317 PolarHBondContact O-NH2 3.21Å; D271-R317 IonicContact OD1-CZ 2.9Å; D271-R317 IonicContact OD1-NH1 3.64Å; D271-R317 IonicContact OD1-NH2 2.77Å; D271-R317 PolarHBondContact OD1-NH2 3.39Å; D271-R317 IonicContact OD2-CZ 3.34Å; D271-R317 IonicContact OD2-NH1 3.77Å; D271-R317 IonicContact OD2-NH2 2.67Å; D271-R317 PolarHBondContact OD2-NH2 2.91Å; T313-R317 PolarHBondContact O-N 3.29Å; T313-R317 VanDerWaalsContact O-N 3.07Å; Y314-R317 PolarHBondContact O-N 3.15Å; L315-R317 PolarHBondContact O-N 3.43Å; R317-R319 VanDerWaalsContact C-N 3.29Å; R317-R319 PolarHBondContact O-N 3.46Å; R317-I320 PolarHBondContact O-N 3.45Å; R317-R321 HydrophobicContact CG-CG 4.37Å; R317-R321 WeakPolarHBondContact O-CB 3.3Å; R317-R321 WeakPolarHBondContact O-CG 3.15Å; R317-R321 PolarHBondContact O-N 3.35Å; R317-F344 HydrophobicContact CB-CD1 4.36Å; R317-F344 HydrophobicContact CB-CE1 3.62Å; R317-F344 HydrophobicContact CB-CZ 3.92Å; R317-F344 WeakPolarHBondContact CD-O 3.45Å; R317-F344 HydrophobicContact CG-CE1 4.36Å; R317-F344 PolarHBondContact NH1-O 3.33Å; R317-L345 HydrophobicContact CB-CD2 4.03Å; R317-L345 HydrophobicContact CG-CD2 3.98Å; R317-H347 PolarHBondContact NE-CE1 2.93Å; R317-H347 PolarHBondContact NH1-ND1 3.16Å |
| 318 | I | 91.2 | Very high | 89.1 | Confident | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.087 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.6 | -48.9 | 177.9 | -65.8 | 162 | 0 | 0 | 0 | 109.8 | G273 Y314 L315 I320 R321 R322 | G273-I318 VanDerWaalsContact CA-CD1 3.47Å; Y314-I318 HydrophobicContact CD1-CD1 3.68Å; Y314-I318 HydrophobicContact CE1-CD1 3.1Å; Y314-I318 HydrophobicContact CE1-CG1 4.02Å; Y314-I318 PolarHBondContact O-N 3.12Å; Y314-I318 VanDerWaalsContact O-N 3.09Å; L315-I318 PolarHBondContact O-N 3.17Å; I318-I320 PolarHBondContact O-N 3.09Å; I318-R321 PolarHBondContact O-N 2.74Å; I318-R322 HydrophobicContact CG2-CG 4.19Å; I318-R322 WeakPolarHBondContact O-CB 3.46Å; I318-R322 WeakPolarHBondContact O-CG 3.26Å; I318-R322 PolarHBondContact O-N 3.24Å |
| 319 | R | 91.4 | Very high | 89.2 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | -176.4 | -171.1 | 59.4 | 175.3 | 162.1 | 0.3 | 111.6 | L315 C316 R317 R322 T323 | L315-R319 WeakPolarHBondContact O-CB 3.1Å; L315-R319 PolarHBondContact O-N 2.95Å; C316-R319 PolarHBondContact O-N 2.79Å; R317-R319 VanDerWaalsContact C-N 3.29Å; R317-R319 PolarHBondContact O-N 3.46Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-T323 WeakPolarHBondContact O-CB 3.47Å; R319-T323 PolarHBondContact O-N 3.26Å; R319-T323 PolarHBondContact O-OG1 2.98Å |
| 320 | I | 92.8 | Very high | 89.7 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 177.7 | -69.1 | 163.5 | 0 | 0 | 0 | 110.6 | C316 R317 I318 R322 T323 M324 L345 | C316-I320 WeakPolarHBondContact O-CB 3.49Å; C316-I320 WeakPolarHBondContact O-CD1 3.19Å; C316-I320 VanDerWaalsContact O-CG1 3.22Å; C316-I320 WeakPolarHBondContact O-CG1 3.26Å; C316-I320 PolarHBondContact O-N 2.94Å; R317-I320 PolarHBondContact O-N 3.45Å; I318-I320 PolarHBondContact O-N 3.09Å; I320-R322 PolarHBondContact O-N 3.38Å; I320-T323 PolarHBondContact O-N 2.95Å; I320-M324 HydrophobicContact CG2-CG 4.46Å; I320-M324 HydrophobicContact CG2-SD 4.13Å; I320-M324 WeakPolarHBondContact O-CG 3.36Å; I320-M324 PolarHBondContact O-N 3.29Å; I320-L345 HydrophobicContact CB-CD2 4.18Å; I320-L345 HydrophobicContact CD1-CD2 3.88Å; I320-L345 HydrophobicContact CG2-CD1 4.19Å; I320-L345 HydrophobicContact CG2-CD2 4.14Å |
| 321 | R | 93.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 78.3 Ų | 78.3 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 178.9 | -71.5 | 177 | 65.6 | 78.7 | 0.8 | 111.8 | L225 L226 R317 I318 M324 G325 L329 L345 H347 | L225-R321 PolarHBondContact O-NH2 2.85Å; L226-R321 PolarHBondContact O-NH2 3.11Å; L226-R321 VanDerWaalsContact O-NH2 3.07Å; R317-R321 HydrophobicContact CG-CG 4.37Å; R317-R321 WeakPolarHBondContact O-CB 3.3Å; R317-R321 WeakPolarHBondContact O-CG 3.15Å; R317-R321 PolarHBondContact O-N 3.35Å; I318-R321 PolarHBondContact O-N 2.74Å; R321-M324 PolarHBondContact O-N 2.66Å; R321-G325 PolarHBondContact O-N 3.01Å; R321-L329 HydrophobicContact CB-CD2 3.94Å; R321-L329 HydrophobicContact CG-CD2 4.03Å; R321-L345 WeakPolarHBondContact CD-O 3.5Å; R321-L345 PolarHBondContact NH1-O 2.86Å; R321-H347 WeakPolarHBondContact CD-NE2 3.43Å; R321-H347 PolarHBondContact NE-NE2 3.29Å |
| 322 | R | 87.9 | Confident | 90.3 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.7 | -75 | -178.2 | 177 | 167.5 | 1 | 112 | D232 G273 I318 R319 I320 G325 | D232-R322 IonicContact OD2-NH2 3.25Å; G273-R322 PolarHBondContact O-NH2 3Å; G273-R322 VanDerWaalsContact O-NH2 3.09Å; I318-R322 HydrophobicContact CG2-CG 4.19Å; I318-R322 WeakPolarHBondContact O-CB 3.46Å; I318-R322 WeakPolarHBondContact O-CG 3.26Å; I318-R322 PolarHBondContact O-N 3.24Å; R319-R322 PolarHBondContact O-N 3.15Å; I320-R322 PolarHBondContact O-N 3.38Å; R322-G325 PolarHBondContact O-N 3.3Å |
| 323 | T | 90.1 | Very high | 90.3 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.8 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | R319 I320 R328 | R319-T323 WeakPolarHBondContact O-CB 3.47Å; R319-T323 PolarHBondContact O-N 3.26Å; R319-T323 PolarHBondContact O-OG1 2.98Å; I320-T323 PolarHBondContact O-N 2.95Å; T323-R328 PolarHBondContact O-NH2 3.46Å |
| 324 | M | 89.3 | Confident | 90.4 | Very high | 29 Ų | 29 | 66.9 Ų | 66.9 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.7 | -68.6 | -172.4 | 78.9 | 0 | 0 | 110.9 | I320 R321 R328 L329 H331 I332 L335 | I320-M324 HydrophobicContact CG2-CG 4.46Å; I320-M324 HydrophobicContact CG2-SD 4.13Å; I320-M324 WeakPolarHBondContact O-CG 3.36Å; I320-M324 PolarHBondContact O-N 3.29Å; R321-M324 PolarHBondContact O-N 2.66Å; M324-R328 HydrophobicContact CB-CB 4.33Å; M324-R328 HydrophobicContact CE-CB 4.46Å; M324-R328 VanDerWaalsContact CE-O 3.29Å; M324-R328 WeakPolarHBondContact CE-O 3.49Å; M324-R328 WeakPolarHBondContact O-CB 3.41Å; M324-R328 VanDerWaalsContact O-CZ 3.3Å; M324-R328 PolarHBondContact O-NE 3.47Å; M324-R328 PolarHBondContact O-NH2 3.12Å; M324-L329 HydrophobicContact CB-CD2 4.4Å; M324-H331 HydrophobicContact CE-CB 4.46Å; M324-I332 HydrophobicContact CE-CG1 3.65Å; M324-I332 HydrophobicContact SD-CD1 4.02Å; M324-I332 HydrophobicContact SD-CG1 3.33Å; M324-I332 WeakPolarHBondContact SD-CG1 3.31Å; M324-L335 HydrophobicContact CE-CD1 4.34Å; M324-L335 HydrophobicContact SD-CD1 4.19Å |
| 325 | G | 85.9 | Confident | 90.5 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | trans | 70.6 | 162 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R321 R322 S327 R328 L329 | R321-G325 PolarHBondContact O-N 3.01Å; R322-G325 PolarHBondContact O-N 3.3Å; G325-S327 PolarHBondContact O-N 3Å; G325-R328 PolarHBondContact O-N 3.47Å; G325-L329 PolarHBondContact O-N 2.98Å | ||
| 326 | K | 86.3 | Confident | 90.7 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 32% | 0.317 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -49.8 | -48.7 | -168.5 | -60.7 | 168.4 | 179.3 | 175.2 | 0 | 113.9 | D183 V184 D185 G228 R328 L329 | D183-K326 IonicContact OD1-NZ 3.87Å; D183-K326 PolarHBondContact OD1-NZ 3.26Å; V184-K326 HydrophobicContact CG2-CD 3.94Å; D185-K326 VanDerWaalsContact CG-NZ 3.26Å; D185-K326 WeakPolarHBondContact OD2-CE 3.43Å; D185-K326 IonicContact OD2-NZ 3.05Å; D185-K326 PolarHBondContact OD2-NZ 3.4Å; G228-K326 WeakPolarHBondContact O-CE 3.26Å; G228-K326 WeakPolarHBondContact O-CG 3.43Å; K326-R328 PolarHBondContact O-N 2.99Å; K326-L329 PolarHBondContact O-N 3.32Å |
| 327 | S | 84.4 | Confident | 90.7 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -66 | -23.1 | -175.5 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | G325 K330 | G325-S327 PolarHBondContact O-N 3Å; S327-K330 WeakPolarHBondContact O-CE 3.28Å |
| 328 | R | 89.8 | Confident | 90.8 | Very high | 133 Ų | 133 | 74.1 Ų | 74.1 | 50% | 0.502 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -106 | -4.8 | -176.4 | -58.8 | -177.7 | -69.5 | -166.2 | 0 | 113.6 | T323 M324 G325 K326 K330 H331 | T323-R328 PolarHBondContact O-NH2 3.46Å; M324-R328 HydrophobicContact CB-CB 4.33Å; M324-R328 HydrophobicContact CE-CB 4.46Å; M324-R328 VanDerWaalsContact CE-O 3.29Å; M324-R328 WeakPolarHBondContact CE-O 3.49Å; M324-R328 WeakPolarHBondContact O-CB 3.41Å; M324-R328 VanDerWaalsContact O-CZ 3.3Å; M324-R328 PolarHBondContact O-NE 3.47Å; M324-R328 PolarHBondContact O-NH2 3.12Å; G325-R328 PolarHBondContact O-N 3.47Å; K326-R328 PolarHBondContact O-N 2.99Å; R328-K330 PolarHBondContact O-N 3.3Å; R328-H331 WeakPolarHBondContact O-CB 3.38Å; R328-H331 PolarHBondContact O-N 3.37Å |
| 329 | L | 90.5 | Very high | 91 | Very high | 14 Ų | 14 | 78.3 Ų | 78.3 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -56.6 | -35.7 | 178.1 | -70 | 177.1 | 0 | 0 | 0 | 112.5 | R321 M324 G325 K326 H331 I332 | R321-L329 HydrophobicContact CB-CD2 3.94Å; R321-L329 HydrophobicContact CG-CD2 4.03Å; M324-L329 HydrophobicContact CB-CD2 4.4Å; G325-L329 PolarHBondContact O-N 2.98Å; K326-L329 PolarHBondContact O-N 3.32Å; L329-H331 PolarHBondContact O-N 2.94Å; L329-H331 VanDerWaalsContact O-N 3.17Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.04Å; L329-I332 WeakPolarHBondContact O-CD1 3.43Å; L329-I332 VanDerWaalsContact O-CG1 3.28Å; L329-I332 WeakPolarHBondContact O-CG1 3.41Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.11Å |
| 330 | K | 88.6 | Confident | 91.2 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 58% | 0.578 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.4 | 174.2 | 62.3 | -178.6 | 177.7 | -179.1 | 0 | 113.8 | S327 R328 I332 | S327-K330 WeakPolarHBondContact O-CE 3.28Å; R328-K330 PolarHBondContact O-N 3.3Å; K330-I332 VanDerWaalsContact C-N 3.34Å |
| 331 | H | 91.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 74.6 Ų | 74.6 | 38% | 0.375 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -84.2 | -3.1 | 179.6 | -52.8 | 135.3 | 0 | 0 | 0 | 113.6 | M324 R328 L329 A333 L334 | M324-H331 HydrophobicContact CE-CB 4.46Å; R328-H331 WeakPolarHBondContact O-CB 3.38Å; R328-H331 PolarHBondContact O-N 3.37Å; L329-H331 PolarHBondContact O-N 2.94Å; L329-H331 VanDerWaalsContact O-N 3.17Å; H331-A333 PolarHBondContact O-N 3.41Å; H331-L334 HydrophobicContact CB-CD1 4.34Å; H331-L334 WeakPolarHBondContact O-CB 3.42Å; H331-L334 PolarHBondContact O-N 3.49Å |
| 332 | I | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -55.7 | -37.3 | 175.3 | -70.4 | 167.2 | 0 | 0 | 0 | 111 | M324 L329 K330 L334 L335 L345 L346 | M324-I332 HydrophobicContact CE-CG1 3.65Å; M324-I332 HydrophobicContact SD-CD1 4.02Å; M324-I332 HydrophobicContact SD-CG1 3.33Å; M324-I332 WeakPolarHBondContact SD-CG1 3.31Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.04Å; L329-I332 WeakPolarHBondContact O-CD1 3.43Å; L329-I332 VanDerWaalsContact O-CG1 3.28Å; L329-I332 WeakPolarHBondContact O-CG1 3.41Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.11Å; K330-I332 VanDerWaalsContact C-N 3.34Å; I332-L334 PolarHBondContact O-N 3.16Å; I332-L334 VanDerWaalsContact O-N 3.16Å; I332-L335 HydrophobicContact CG2-CD1 4.39Å; I332-L335 WeakPolarHBondContact O-CB 3.07Å; I332-L335 WeakPolarHBondContact O-CG 3.48Å; I332-L335 PolarHBondContact O-N 2.87Å; I332-L335 VanDerWaalsContact O-N 3.1Å; I332-L345 HydrophobicContact CD1-CB 4.4Å; I332-L345 HydrophobicContact CG2-CB 3.87Å; I332-L345 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CB-CD1 4.46Å; I332-L346 HydrophobicContact CB-CD2 3.93Å; I332-L346 HydrophobicContact CB-CG 4.1Å; I332-L346 HydrophobicContact CD1-CD2 3.95Å; I332-L346 HydrophobicContact CD1-CG 4.48Å; I332-L346 HydrophobicContact CG1-CD2 4.49Å; I332-L346 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CG2-CD2 4.19Å; I332-L346 HydrophobicContact CG2-CG 3.79Å |
| 333 | A | 90.8 | Very high | 91.6 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -60.6 | -25.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H331 K342 | H331-A333 PolarHBondContact O-N 3.41Å; A333-K342 VanDerWaalsContact O-CE 3.3Å; A333-K342 WeakPolarHBondContact O-CE 3.3Å; A333-K342 PolarHBondContact O-NZ 3.42Å |
| 334 | L | 93.8 | Very high | 91.8 | Very high | 138 Ų | 138 | 70.9 Ų | 70.9 | 72% | 0.723 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -87.8 | -8.8 | -179.2 | -56 | 175.5 | 0 | 0 | 0 | 113.2 | H331 I332 | H331-L334 HydrophobicContact CB-CD1 4.34Å; H331-L334 WeakPolarHBondContact O-CB 3.42Å; H331-L334 PolarHBondContact O-N 3.49Å; I332-L334 PolarHBondContact O-N 3.16Å; I332-L334 VanDerWaalsContact O-N 3.16Å |
| 335 | L | 92.4 | Very high | 92 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -65.8 | 145.4 | 179.9 | -65 | 175.3 | 0 | 0 | 0 | 110.8 | M324 I332 L337 K342 | M324-L335 HydrophobicContact CE-CD1 4.34Å; M324-L335 HydrophobicContact SD-CD1 4.19Å; I332-L335 HydrophobicContact CG2-CD1 4.39Å; I332-L335 WeakPolarHBondContact O-CB 3.07Å; I332-L335 WeakPolarHBondContact O-CG 3.48Å; I332-L335 PolarHBondContact O-N 2.87Å; I332-L335 VanDerWaalsContact O-N 3.1Å; L335-L337 HydrophobicContact CB-CD1 3.96Å; L335-L337 HydrophobicContact CB-CG 4.02Å; L335-L337 HydrophobicContact CD1-CD1 3.93Å; L335-L337 PolarHBondContact O-N 3.17Å; L335-K342 WeakPolarHBondContact O-CE 3.45Å; L335-K342 PolarHBondContact O-NZ 2.82Å |
| 336 | P | 94.8 | Very high | 92.2 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 87% | 0.87 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -76.7 | 60.2 | 176.2 | 33.8 | -36.3 | 0 | 0 | 0 | 110.9 | ||
| 337 | L | 94.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -121.6 | 154.4 | -178.9 | -63.7 | 174.8 | 0 | 0 | 0 | 110.6 | L335 I341 K342 L345 | L335-L337 HydrophobicContact CB-CD1 3.96Å; L335-L337 HydrophobicContact CB-CG 4.02Å; L335-L337 HydrophobicContact CD1-CD1 3.93Å; L335-L337 PolarHBondContact O-N 3.17Å; L337-I341 HydrophobicContact CD1-CG2 4.14Å; L337-K342 HydrophobicContact CB-CG 4.2Å; L337-K342 WeakPolarHBondContact O-CE 3.44Å; L337-L345 HydrophobicContact CD1-CD1 3.96Å |
| 338 | P | 96.2 | Very high | 92.6 | Very high | 76 Ų | 76 | 71 Ų | 71 | 49% | 0.494 | 36% | 0.362 | S | S | . | . | trans | -55.6 | 147.1 | 168.8 | -23.9 | 33 | 0 | 0 | 0 | 112.5 | S340 I341 K342 | P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 3.47Å; P338-I341 HydrophobicContact CB-CG1 4.37Å; P338-I341 HydrophobicContact CG-CD1 4.17Å; P338-I341 HydrophobicContact CG-CG1 4.48Å; P338-I341 PolarHBondContact O-N 3.38Å; P338-K342 PolarHBondContact O-N 3.33Å | ||
| 339 | E | 94.8 | Very high | 91.5 | Very high | 104 Ų | 104 | 75.5 Ų | 75.5 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | -176.2 | -160.7 | 58.2 | -144 | 0 | 0 | 112.8 | I341 K342 N343 | E339-I341 VanDerWaalsContact C-N 3.29Å; E339-I341 PolarHBondContact O-N 2.9Å; E339-K342 PolarHBondContact O-N 2.75Å; E339-K342 WeakPolarHBondContact OE2-CD 3.44Å; E339-K342 IonicContact OE2-NZ 3.61Å; E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.29Å |
| 340 | S | 94.4 | Very high | 91.5 | Very high | 88 Ų | 88 | 78.6 Ų | 78.6 | 62% | 0.615 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | 174.2 | 55 | 0 | 0 | 0 | 0 | 112.8 | P338 F344 | P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 3.47Å; S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.5Å; S340-F344 PolarHBondContact O-N 2.73Å |
| 341 | I | 93.9 | Very high | 91.7 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.1 | -41 | 176.6 | -59.1 | -173.2 | 0 | 0 | 0 | 110 | L337 P338 E339 N343 F344 L345 | L337-I341 HydrophobicContact CD1-CG2 4.14Å; P338-I341 HydrophobicContact CB-CG1 4.37Å; P338-I341 HydrophobicContact CG-CD1 4.17Å; P338-I341 HydrophobicContact CG-CG1 4.48Å; P338-I341 PolarHBondContact O-N 3.38Å; E339-I341 VanDerWaalsContact C-N 3.29Å; E339-I341 PolarHBondContact O-N 2.9Å; I341-N343 PolarHBondContact O-N 2.63Å; I341-F344 WeakPolarHBondContact O-CB 3.32Å; I341-F344 PolarHBondContact O-N 3.22Å; I341-L345 HydrophobicContact CG2-CD1 4.12Å; I341-L345 HydrophobicContact CG2-CG 4.29Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 3.07Å |
| 342 | K | 94.5 | Very high | 91.7 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 13% | 0.13 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.7 | -67.8 | 174.4 | 177.8 | 176.3 | 0 | 111.6 | A333 L335 L337 P338 E339 L345 L346 | A333-K342 VanDerWaalsContact O-CE 3.3Å; A333-K342 WeakPolarHBondContact O-CE 3.3Å; A333-K342 PolarHBondContact O-NZ 3.42Å; L335-K342 WeakPolarHBondContact O-CE 3.45Å; L335-K342 PolarHBondContact O-NZ 2.82Å; L337-K342 HydrophobicContact CB-CG 4.2Å; L337-K342 WeakPolarHBondContact O-CE 3.44Å; P338-K342 PolarHBondContact O-N 3.33Å; E339-K342 PolarHBondContact O-N 2.75Å; E339-K342 WeakPolarHBondContact OE2-CD 3.44Å; E339-K342 IonicContact OE2-NZ 3.61Å; K342-L345 PolarHBondContact O-N 3.02Å; K342-L346 WeakPolarHBondContact O-CB 3.47Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.49Å |
| 343 | N | 93.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 79.9 Ų | 79.9 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.7 | -76.3 | -16.4 | 0 | 0 | 0 | 111.2 | E339 I341 L345 L346 H347 R348 | E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.29Å; I341-N343 PolarHBondContact O-N 2.63Å; N343-L345 VanDerWaalsContact C-N 3.34Å; N343-L345 PolarHBondContact O-N 2.97Å; N343-L346 CarbonylContact O-C 3.59Å; N343-L346 PolarHBondContact O-N 3.34Å; N343-L346 VanDerWaalsContact O-N 3.1Å; N343-H347 PolarHBondContact O-N 3.17Å; N343-R348 CarbonylContact C-O 3.39Å; N343-R348 HydrophobicContact CB-CB 4.07Å; N343-R348 WeakPolarHBondContact CB-O 3.44Å; N343-R348 PolarHBondContact O-N 3.39Å |
| 344 | F | 94.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 82.1 Ų | 82.1 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 173.5 | 174.3 | -109.8 | 0 | 0 | 0 | 112.6 | T313 R317 S340 I341 L346 H347 | T313-F344 WeakPolarHBondContact O-CE1 3.16Å; T313-F344 WeakPolarHBondContact O-CZ 3.39Å; R317-F344 HydrophobicContact CB-CD1 4.36Å; R317-F344 HydrophobicContact CB-CE1 3.62Å; R317-F344 HydrophobicContact CB-CZ 3.92Å; R317-F344 WeakPolarHBondContact CD-O 3.45Å; R317-F344 HydrophobicContact CG-CE1 4.36Å; R317-F344 PolarHBondContact NH1-O 3.33Å; S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.5Å; S340-F344 PolarHBondContact O-N 2.73Å; I341-F344 WeakPolarHBondContact O-CB 3.32Å; I341-F344 PolarHBondContact O-N 3.22Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.13Å; F344-H347 PolarHBondContact O-N 2.99Å |
| 345 | L | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.6 | -27.9 | 177.7 | -68.3 | 176.8 | 0 | 0 | 0 | 113.6 | R317 I320 R321 I332 L337 I341 K342 N343 | R317-L345 HydrophobicContact CB-CD2 4.03Å; R317-L345 HydrophobicContact CG-CD2 3.98Å; I320-L345 HydrophobicContact CB-CD2 4.18Å; I320-L345 HydrophobicContact CD1-CD2 3.88Å; I320-L345 HydrophobicContact CG2-CD1 4.19Å; I320-L345 HydrophobicContact CG2-CD2 4.14Å; R321-L345 WeakPolarHBondContact CD-O 3.5Å; R321-L345 PolarHBondContact NH1-O 2.86Å; I332-L345 HydrophobicContact CD1-CB 4.4Å; I332-L345 HydrophobicContact CG2-CB 3.87Å; I332-L345 HydrophobicContact CG2-CD1 4.16Å; L337-L345 HydrophobicContact CD1-CD1 3.96Å; I341-L345 HydrophobicContact CG2-CD1 4.12Å; I341-L345 HydrophobicContact CG2-CG 4.29Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 3.07Å; K342-L345 PolarHBondContact O-N 3.02Å; N343-L345 VanDerWaalsContact C-N 3.34Å; N343-L345 PolarHBondContact O-N 2.97Å |
| 346 | L | 92 | Very high | 91.5 | Very high | 23 Ų | 23 | 80.1 Ų | 80.1 | 12% | 0.12 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -91.6 | 0.4 | 178.9 | -72.8 | 169.8 | 0 | 0 | 0 | 113.7 | I332 K342 N343 F344 R348 | I332-L346 HydrophobicContact CB-CD1 4.46Å; I332-L346 HydrophobicContact CB-CD2 3.93Å; I332-L346 HydrophobicContact CB-CG 4.1Å; I332-L346 HydrophobicContact CD1-CD2 3.95Å; I332-L346 HydrophobicContact CD1-CG 4.48Å; I332-L346 HydrophobicContact CG1-CD2 4.49Å; I332-L346 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CG2-CD2 4.19Å; I332-L346 HydrophobicContact CG2-CG 3.79Å; K342-L346 WeakPolarHBondContact O-CB 3.47Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.49Å; N343-L346 CarbonylContact O-C 3.59Å; N343-L346 PolarHBondContact O-N 3.34Å; N343-L346 VanDerWaalsContact O-N 3.1Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.13Å; L346-R348 HydrophobicContact CB-CG 3.93Å; L346-R348 PolarHBondContact O-N 3.34Å |
| 347 | H | 91.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 75.9 Ų | 75.9 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 37.4 | -171.7 | -55.4 | -103.8 | 0 | 0 | 0 | 112.7 | L226 D271 H272 R317 R321 N343 F344 | L226-H347 HydrophobicContact CD2-CB 3.79Å; D271-H347 PolarHBondContact O-CE1 3Å; D271-H347 VanDerWaalsContact O-CE1 3.3Å; D271-H347 IonicContact OD2-CE1 3Å; D271-H347 PolarHBondContact OD2-CE1 3.45Å; D271-H347 VanDerWaalsContact OD2-CE1 3.28Å; D271-H347 IonicContact OD2-CG 3.84Å; D271-H347 IonicContact OD2-ND1 3.82Å; D271-H347 PolarHBondContact OD2-ND1 3.47Å; H272-H347 AromaticContact CD2-CE1 3.78Å; H272-H347 AromaticContact CE1-CD2 3.72Å; H272-H347 AromaticContact CE1-CE1 3.72Å; H272-H347 AromaticContact CE1-NE2 3.57Å; H272-H347 AromaticContact ND1-NE2 3.84Å; H272-H347 AromaticContact NE2-CE1 3.6Å; H272-H347 AromaticContact NE2-CG 3.87Å; H272-H347 AromaticContact NE2-ND1 3.61Å; H272-H347 AromaticContact NE2-NE2 3.91Å; R317-H347 PolarHBondContact NE-CE1 2.93Å; R317-H347 PolarHBondContact NH1-ND1 3.16Å; R321-H347 WeakPolarHBondContact CD-NE2 3.43Å; R321-H347 PolarHBondContact NE-NE2 3.29Å; N343-H347 PolarHBondContact O-N 3.17Å; F344-H347 PolarHBondContact O-N 2.99Å |
| 348 | R | 87.3 | Confident | 91 | Very high | 148 Ų | 148 | 76.9 Ų | 76.9 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | trans | -100.9 | 134.8 | 171.9 | -61.9 | 176.7 | -178.8 | -178.4 | -2.1 | 108.1 | N343 L346 | N343-R348 CarbonylContact C-O 3.39Å; N343-R348 HydrophobicContact CB-CB 4.07Å; N343-R348 WeakPolarHBondContact CB-O 3.44Å; N343-R348 PolarHBondContact O-N 3.39Å; L346-R348 HydrophobicContact CB-CG 3.93Å; L346-R348 PolarHBondContact O-N 3.34Å | ||
| 349 | N | 65.9 | Low | 90.5 | Very high | 229 Ų | 229 | 77 Ų | 77 | 100% | 1.225 | 38% | 0.384 | S | S | * | . | trans | -80 | 0 | 174.8 | -74 | -17 | 0 | 0 | 0 | 111.3 |
Retrieved 349 of 349 residues in 282.8 ms
(Link to these results)