| 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 | 35.3 | Very low | 36 | Very low | 226 Ų | 226 | 150.6 Ų | 150.6 | 100% | 1.113 | 84% | 0.839 | S | S | * | * | 0 | 124.5 | 0 | -67.8 | 145.8 | 179.4 | 0 | 0 | 105.8 | |||||
| 2 | M | 35.8 | Very low | 35.9 | Very low | 167 Ų | 167 | 151 Ų | 151 | 82% | 0.823 | 84% | 0.838 | S | S | * | * | 65.9 | 124.9 | 56.7 | -66.3 | 161.4 | 146 | 0 | 0 | 110.5 | |||||
| 3 | E | 33.8 | Very low | 37.3 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | cis | -128.6 | 172.4 | -6.7 | -77.9 | 116.5 | 131 | 0 | 0 | 109.1 | ||||
| 4 | L | 39.9 | Very low | 37.1 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | cis | 79.6 | 146 | 29.7 | -99.8 | 176.8 | 0 | 0 | 0 | 117.4 | ||||
| 5 | E | 38.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | 67.4 | 153 | -177 | -52 | -151.4 | 97.7 | 0 | 0 | 116.7 | ||||
| 6 | S | 33 | Very low | 38 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | cis | -132.9 | 148.9 | 1.7 | -109.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | A | 40.3 | Very low | 37.9 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | 61.8 | 142.2 | 61.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 8 | C | 31.2 | Very low | 38.4 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 76% | 0.757 | 82% | 0.822 | S | S | * | * | cis | -168.9 | 153.2 | -18.2 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | S | 35 | Very low | 38.4 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -159 | 146.4 | 156.9 | -87.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | R | 38.9 | Very low | 38.9 | Very low | 251 Ų | 251 | 137.3 Ų | 137.3 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -116.5 | 149.2 | -177.5 | -85.3 | 172.6 | 151.7 | 171.2 | -8.3 | 111.1 | ||||
| 11 | G | 33.5 | Very low | 39.4 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -173.4 | 125.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | D | 35.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -162.8 | 162.8 | -169.1 | -176.7 | 57.3 | 0 | 0 | 0 | 107.3 | ||||
| 13 | P | 53.8 | Low | 40.6 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | -120.5 | -171.6 | -14.7 | 22.1 | 1.3 | 0 | 0 | 0 | 112.7 | ||||
| 14 | G | 34.4 | Very low | 41.3 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 142.9 | 104.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 15 | T | 39.6 | Very low | 42 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 174.3 | 166.5 | 27.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 16 | P | 50 | Low | 43 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | cis | -128.2 | 164.4 | -5.9 | 36.5 | -20.6 | 0 | 0 | 0 | 115 | ||||
| 17 | G | 36.6 | Very low | 44.4 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -147.7 | 109.2 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | D | 46.5 | Very low | 45.6 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 128.2 | 173.1 | 180 | 27.1 | 0 | 0 | 0 | 110.1 | ||||
| 19 | S | 38.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -157.1 | 90.4 | 175.4 | -165.8 | 0 | 0 | 0 | 0 | 109.6 | Q21 | S19-Q21 VanDerWaalsContact C-N 3.26Å; S19-Q21 PolarHBondContact O-N 3.2Å | ||
| 20 | L | 48.4 | Very low | 49.1 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -68.4 | 74.8 | 179.2 | -70.1 | 167.8 | 0 | 0 | 0 | 112.2 | ||||
| 21 | Q | 48.5 | Very low | 51.2 | Low | 167 Ų | 167 | 123 Ų | 123 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 125.2 | 160 | -75.6 | -166.3 | -18.4 | 0 | 0 | 109.9 | S19 Q23 | S19-Q21 VanDerWaalsContact C-N 3.26Å; S19-Q21 PolarHBondContact O-N 3.2Å; Q21-Q23 PolarHBondContact O-N 3.07Å |
| 22 | P | 45.4 | Very low | 53.8 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.5 | 172.6 | 27.6 | -32.9 | 0 | 0 | 0 | 109 | T24 | P22-T24 PolarHBondContact O-N 3.44Å; P22-T24 VanDerWaalsContact O-N 3.16Å |
| 23 | Q | 50.4 | Low | 56.3 | Low | 189 Ų | 189 | 116.7 Ų | 116.7 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 124.7 | 177.1 | -72.2 | -165.2 | -3.4 | 0 | 0 | 109.7 | Q21 P25 | Q21-Q23 PolarHBondContact O-N 3.07Å; Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.08Å |
| 24 | T | 49.7 | Very low | 57.9 | Low | 128 Ų | 128 | 114.1 Ų | 114.1 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.1 | 179.1 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | P22 S26 | P22-T24 PolarHBondContact O-N 3.44Å; P22-T24 VanDerWaalsContact O-N 3.16Å; T24-S26 PolarHBondContact O-N 2.85Å; T24-S26 VanDerWaalsContact O-N 3.14Å |
| 25 | P | 53.8 | Low | 60.5 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 119.9 | -175.2 | 19.1 | -32.5 | 0 | 0 | 0 | 110.6 | Q23 R27 K30 | Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.08Å; P25-R27 PolarHBondContact O-N 3.46Å; P25-K30 PolarHBondContact O-NZ 3.37Å |
| 26 | S | 60.1 | Low | 63 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 42% | 0.42 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 133.6 | -159.5 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | T24 H28 E29 | T24-S26 PolarHBondContact O-N 2.85Å; T24-S26 VanDerWaalsContact O-N 3.14Å; S26-H28 PolarHBondContact O-N 3.43Å; S26-E29 PolarHBondContact N-OE2 3.36Å; S26-E29 WeakPolarHBondContact O-CB 3.43Å; S26-E29 PolarHBondContact O-N 3.29Å |
| 27 | R | 62.6 | Low | 64.8 | Low | 233 Ų | 233 | 105.7 Ų | 105.7 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -54.6 | -27.4 | -179.4 | -175.5 | 175.4 | 177.6 | -112.6 | 2.2 | 112.4 | P25 | P25-R27 PolarHBondContact O-N 3.46Š|
| 28 | H | 66 | Low | 67.2 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 63% | 0.625 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -66.2 | -39.2 | 177.7 | -171.1 | 89.4 | 0 | 0 | 0 | 113.3 | S26 K30 S31 | S26-H28 PolarHBondContact O-N 3.43Å; H28-K30 PolarHBondContact O-N 2.96Å; H28-K30 VanDerWaalsContact O-N 3.09Å; H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.45Å |
| 29 | E | 66.6 | Low | 69.3 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -63.8 | -18.7 | -178.2 | -62.8 | 167 | -178.9 | 0 | 0 | 113.4 | S26 | S26-E29 PolarHBondContact N-OE2 3.36Å; S26-E29 WeakPolarHBondContact O-CB 3.43Å; S26-E29 PolarHBondContact O-N 3.29Å |
| 30 | K | 72.6 | Confident | 71.6 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -111.1 | 12.2 | 179.8 | -61.2 | 166 | -170.8 | 156.6 | 0 | 112.2 | P25 H28 | P25-K30 PolarHBondContact O-NZ 3.37Å; H28-K30 PolarHBondContact O-N 2.96Å; H28-K30 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 83.5 | Confident | 73.5 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | trans | -64.1 | 139 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 111 | H28 G33 L34 L35 | H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.45Å; S31-G33 PolarHBondContact O-N 3.12Å; S31-G33 PolarHBondContact OG-N 3.24Å; S31-L34 PolarHBondContact O-N 3.18Å; S31-L35 PolarHBondContact O-N 3.24Å | ||
| 32 | L | 87.1 | Confident | 75.3 | Confident | 67 Ų | 67 | 86.5 Ų | 86.5 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 172.7 | -174.5 | 65.5 | 0 | 0 | 0 | 110.9 | L34 L35 T36 R67 D70 I71 | L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-L35 VanDerWaalsContact O-N 3.12Å; L32-T36 PolarHBondContact O-N 3.2Å; L32-T36 PolarHBondContact O-OG1 3.49Å; L32-T36 VanDerWaalsContact O-OG1 3.06Å; L32-R67 HydrophobicContact CD1-CB 4.4Å; L32-D70 HydrophobicContact CD1-CB 4.06Å; L32-D70 HydrophobicContact CD2-CB 3.99Å; L32-I71 HydrophobicContact CD1-CD1 4.26Å; L32-I71 HydrophobicContact CD1-CG1 3.85Å |
| 33 | G | 87.7 | Confident | 77.3 | Confident | 38 Ų | 38 | 81 Ų | 81 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S31 L35 T36 T37 | S31-G33 PolarHBondContact O-N 3.12Å; S31-G33 PolarHBondContact OG-N 3.24Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.27Å; G33-T36 WeakPolarHBondContact O-CB 3.22Å; G33-T36 PolarHBondContact O-N 3.39Å; G33-T37 PolarHBondContact O-N 3.07Å; G33-T37 PolarHBondContact O-OG1 2.81Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å |
| 34 | L | 87.4 | Confident | 78.8 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 176.8 | -177.4 | 61.9 | 0 | 0 | 0 | 111.8 | S31 L32 K38 | S31-L34 PolarHBondContact O-N 3.18Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.3Å |
| 35 | L | 89.4 | Confident | 80.3 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 170.1 | -63.3 | 177.3 | 0 | 0 | 0 | 111 | S31 L32 G33 K38 F39 V62 R67 I71 | S31-L35 PolarHBondContact O-N 3.24Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-L35 VanDerWaalsContact O-N 3.12Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.27Å; L35-K38 PolarHBondContact O-N 3.17Å; L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.11Å; L35-V62 HydrophobicContact CD1-CG1 4.36Å; L35-V62 HydrophobicContact CD2-CG2 4.23Å; L35-R67 HydrophobicContact CD1-CB 4.13Å; L35-R67 HydrophobicContact CD1-CG 4.43Å; L35-I71 HydrophobicContact CB-CD1 3.92Å |
| 36 | T | 91.1 | Very high | 81.6 | Confident | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | L32 G33 K38 F39 V40 I71 | L32-T36 PolarHBondContact O-N 3.2Å; L32-T36 PolarHBondContact O-OG1 3.49Å; L32-T36 VanDerWaalsContact O-OG1 3.06Å; G33-T36 WeakPolarHBondContact O-CB 3.22Å; G33-T36 PolarHBondContact O-N 3.39Å; T36-K38 PolarHBondContact O-N 2.91Å; T36-F39 PolarHBondContact O-N 2.87Å; T36-V40 HydrophobicContact CG2-CG2 4.31Å; T36-V40 WeakPolarHBondContact O-CB 3.48Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.88Å; T36-I71 HydrophobicContact CG2-CG2 4.24Å |
| 37 | T | 88.3 | Confident | 82.1 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.5 | -52 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | G33 F39 V40 T41 | G33-T37 PolarHBondContact O-N 3.07Å; G33-T37 PolarHBondContact O-OG1 2.81Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å; T37-F39 PolarHBondContact O-N 3.28Å; T37-V40 PolarHBondContact O-N 2.86Å; T37-T41 PolarHBondContact O-N 3.33Å; T37-T41 PolarHBondContact O-OG1 2.94Å; T37-T41 VanDerWaalsContact O-OG1 3.08Å |
| 38 | K | 87.9 | Confident | 82.6 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -35 | 179.7 | -67 | -177.4 | 176.5 | -171.8 | 0 | 113.1 | L34 L35 T36 T41 L42 L60 | L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.3Å; L35-K38 PolarHBondContact O-N 3.17Å; T36-K38 PolarHBondContact O-N 2.91Å; K38-T41 PolarHBondContact O-N 2.86Å; K38-L42 WeakPolarHBondContact O-CG 3.4Å; K38-L42 PolarHBondContact O-N 3.2Å; K38-L60 HydrophobicContact CB-CD2 3.28Å; K38-L60 HydrophobicContact CD-CD2 4.26Å; K38-L60 HydrophobicContact CG-CD2 4.42Å |
| 39 | F | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.3 | -175.9 | -87.6 | 0 | 0 | 0 | 111.3 | L35 T36 T37 L42 L43 L51 L53 A56 L60 I68 I71 T72 L75 I89 | L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.11Å; T36-F39 PolarHBondContact O-N 2.87Å; T37-F39 PolarHBondContact O-N 3.28Å; F39-L42 PolarHBondContact O-N 3.2Å; F39-L43 HydrophobicContact CD1-CD2 4.47Å; F39-L43 HydrophobicContact CE1-CD2 4.05Å; F39-L43 VanDerWaalsContact O-CB 3.27Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 PolarHBondContact O-N 2.99Å; F39-L51 HydrophobicContact CD2-CD2 4.48Å; F39-L51 HydrophobicContact CE1-CD2 4.48Å; F39-L51 HydrophobicContact CE2-CD2 4.12Å; F39-L51 HydrophobicContact CZ-CD2 4.12Å; F39-L53 HydrophobicContact CE2-CD2 4.22Å; F39-L53 HydrophobicContact CZ-CD2 4.08Å; F39-A56 HydrophobicContact CE2-CB 4.36Å; F39-L60 HydrophobicContact CB-CD1 3.89Å; F39-L60 HydrophobicContact CD2-CD1 3.7Å; F39-L60 HydrophobicContact CG-CD1 4.29Å; F39-I68 HydrophobicContact CD2-CD1 4.17Å; F39-I68 HydrophobicContact CE2-CD1 4.27Å; F39-I68 HydrophobicContact CE2-CG2 4.02Å; F39-I71 HydrophobicContact CB-CD1 4.24Å; F39-I71 HydrophobicContact CB-CG2 4.41Å; F39-I71 HydrophobicContact CD1-CG2 3.61Å; F39-I71 HydrophobicContact CE1-CG2 3.97Å; F39-I71 HydrophobicContact CG-CD1 4.43Å; F39-I71 HydrophobicContact CG-CG2 4.01Å; F39-T72 HydrophobicContact CE1-CG2 4.47Å; F39-T72 HydrophobicContact CZ-CG2 3.84Å; F39-L75 HydrophobicContact CD1-CD1 4.27Å; F39-L75 HydrophobicContact CE1-CD1 4.1Å; F39-I89 HydrophobicContact CE1-CD1 3.83Å; F39-I89 HydrophobicContact CZ-CD1 3.57Å |
| 40 | V | 88 | Confident | 84.1 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | T36 T37 L43 Q44 L75 | T36-V40 HydrophobicContact CG2-CG2 4.31Å; T36-V40 WeakPolarHBondContact O-CB 3.48Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.88Å; T37-V40 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact O-N 2.89Å; V40-Q44 HydrophobicContact CG1-CG 4.37Å; V40-Q44 WeakPolarHBondContact O-CB 3.42Å; V40-Q44 VanDerWaalsContact O-CG 3.32Å; V40-Q44 WeakPolarHBondContact O-CG 3.32Å; V40-Q44 PolarHBondContact O-N 3.31Å; V40-L75 HydrophobicContact CG2-CD1 4.49Å |
| 41 | T | 87 | Confident | 84.8 | Confident | 57 Ų | 57 | 58 Ų | 58 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.6 | -52.3 | 171.6 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | T37 K38 L43 Q44 E45 | T37-T41 PolarHBondContact O-N 3.33Å; T37-T41 PolarHBondContact O-OG1 2.94Å; T37-T41 VanDerWaalsContact O-OG1 3.08Å; K38-T41 PolarHBondContact O-N 2.86Å; T41-L43 PolarHBondContact O-N 3.11Å; T41-Q44 PolarHBondContact O-N 3.44Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-E45 HydrophobicContact CG2-CG 4.36Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.45Å; T41-E45 WeakPolarHBondContact O-CB 3.43Å; T41-E45 WeakPolarHBondContact O-CG 3.24Å; T41-E45 PolarHBondContact O-N 2.83Å |
| 42 | L | 88.1 | Confident | 85.1 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -30.8 | 177.3 | -69 | 172.9 | 0 | 0 | 0 | 113.1 | K38 F39 A46 L51 T59 L60 | K38-L42 WeakPolarHBondContact O-CG 3.4Å; K38-L42 PolarHBondContact O-N 3.2Å; F39-L42 PolarHBondContact O-N 3.2Å; L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.87Å; L42-L51 HydrophobicContact CB-CD1 4.31Å; L42-T59 HydrophobicContact CD1-CG2 3.9Å; L42-T59 HydrophobicContact CD2-CG2 4.08Å; L42-L60 HydrophobicContact CD1-CD1 4.31Å; L42-L60 HydrophobicContact CD1-CD2 3.92Å; L42-L60 HydrophobicContact CD1-CG 3.83Å |
| 43 | L | 86.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.7 | -23.7 | 178.2 | -172.7 | 52.9 | 0 | 0 | 0 | 113.2 | F39 V40 T41 L51 I81 I89 W91 | F39-L43 HydrophobicContact CD1-CD2 4.47Å; F39-L43 HydrophobicContact CE1-CD2 4.05Å; F39-L43 VanDerWaalsContact O-CB 3.27Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 PolarHBondContact O-N 2.99Å; V40-L43 PolarHBondContact O-N 2.89Å; T41-L43 PolarHBondContact O-N 3.11Å; L43-L51 HydrophobicContact CB-CD2 4.02Å; L43-L51 HydrophobicContact CD1-CB 3.57Å; L43-L51 HydrophobicContact CD1-CD2 4.14Å; L43-L51 HydrophobicContact CD1-CG 4.49Å; L43-I81 HydrophobicContact CD2-CG2 3.8Å; L43-I89 HydrophobicContact CD1-CD1 4.2Å; L43-I89 HydrophobicContact CD1-CG1 4.43Å; L43-I89 HydrophobicContact CD2-CD1 4Å; L43-W91 HydrophobicContact CD1-CB 4.09Å; L43-W91 HydrophobicContact CD2-CD2 4.43Å; L43-W91 HydrophobicContact CD2-CE3 3.49Å; L43-W91 VanDerWaalsContact CD2-CE3 3.49Å; L43-W91 HydrophobicContact CD2-CZ3 4.05Å; L43-W91 HydrophobicContact CG-CB 4.14Å; L43-W91 HydrophobicContact CG-CD2 4.35Å; L43-W91 HydrophobicContact CG-CE3 3.84Å |
| 44 | Q | 81.3 | Confident | 85.2 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -86.9 | -30.6 | 172.8 | -71.3 | 173.9 | -2.1 | 0 | 0 | 112.5 | V40 T41 A46 | V40-Q44 HydrophobicContact CG1-CG 4.37Å; V40-Q44 WeakPolarHBondContact O-CB 3.42Å; V40-Q44 VanDerWaalsContact O-CG 3.32Å; V40-Q44 WeakPolarHBondContact O-CG 3.32Å; V40-Q44 PolarHBondContact O-N 3.31Å; T41-Q44 PolarHBondContact O-N 3.44Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-A46 VanDerWaalsContact C-N 3.34Å |
| 45 | E | 81.1 | Confident | 85.2 | Confident | 138 Ų | 138 | 59.9 Ų | 59.9 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -78.2 | -19 | 172.2 | -69.5 | 173.8 | 172.5 | 0 | 0 | 112.7 | T41 K47 | T41-E45 HydrophobicContact CG2-CG 4.36Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.45Å; T41-E45 WeakPolarHBondContact O-CB 3.43Å; T41-E45 WeakPolarHBondContact O-CG 3.24Å; T41-E45 PolarHBondContact O-N 2.83Å; E45-K47 PolarHBondContact O-N 2.69Å |
| 46 | A | 81.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -66.6 | 125.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L42 Q44 G49 L51 | L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.87Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; A46-G49 PolarHBondContact O-N 3.49Å; A46-L51 HydrophobicContact CB-CB 4.47Å; A46-L51 HydrophobicContact CB-CD1 4.43Å |
| 47 | K | 71.1 | Confident | 85 | Confident | 175 Ų | 175 | 56.6 Ų | 56.6 | 76% | 0.761 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -58.6 | 144.9 | 172.9 | -66.7 | -172.3 | 177 | -174 | 0 | 110.9 | E45 G49 V50 | E45-K47 PolarHBondContact O-N 2.69Å; K47-G49 PolarHBondContact O-N 2.99Å; K47-V50 PolarHBondContact O-N 3.44Å |
| 48 | D | 72.6 | Confident | 84.9 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 58.5 | 14.5 | 179.3 | -36.3 | -35 | 0 | 0 | 0 | 113.3 | V50 | D48-V50 HydrophobicContact CB-CG2 4.32Å; D48-V50 PolarHBondContact O-N 3.06Å |
| 49 | G | 77.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | 65.7 | 14.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | A46 K47 Q90 W91 | A46-G49 PolarHBondContact O-N 3.49Å; K47-G49 PolarHBondContact O-N 2.99Å; G49-Q90 CarbonylContact O-C 3.55Å; G49-Q90 WeakPolarHBondContact O-CA 3.22Å; G49-W91 PolarHBondContact O-N 2.98Å |
| 50 | V | 86.2 | Confident | 84.4 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.7 | -172.6 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | K47 D48 K84 S88 I89 Q90 | K47-V50 PolarHBondContact O-N 3.44Å; D48-V50 HydrophobicContact CB-CG2 4.32Å; D48-V50 PolarHBondContact O-N 3.06Å; V50-K84 HydrophobicContact CG1-CD 4.1Å; V50-K84 HydrophobicContact CG2-CD 3.99Å; V50-S88 WeakPolarHBondContact CG1-OG 3.26Å; V50-I89 WeakPolarHBondContact CA-O 3.39Å; V50-Q90 HydrophobicContact CG2-CB 4.35Å; V50-Q90 HydrophobicContact CG2-CG 4.1Å |
| 51 | L | 88.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.7 | -180 | -174.1 | 65.3 | 0 | 0 | 0 | 111.9 | F39 L42 L43 A46 A56 S88 I89 | F39-L51 HydrophobicContact CD2-CD2 4.48Å; F39-L51 HydrophobicContact CE1-CD2 4.48Å; F39-L51 HydrophobicContact CE2-CD2 4.12Å; F39-L51 HydrophobicContact CZ-CD2 4.12Å; L42-L51 HydrophobicContact CB-CD1 4.31Å; L43-L51 HydrophobicContact CB-CD2 4.02Å; L43-L51 HydrophobicContact CD1-CB 3.57Å; L43-L51 HydrophobicContact CD1-CD2 4.14Å; L43-L51 HydrophobicContact CD1-CG 4.49Å; A46-L51 HydrophobicContact CB-CB 4.47Å; A46-L51 HydrophobicContact CB-CD1 4.43Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; L51-A56 HydrophobicContact CD2-CB 3.91Å; L51-A56 HydrophobicContact CG-CB 4.04Å; L51-S88 WeakPolarHBondContact O-CA 3.3Å; L51-I89 HydrophobicContact CB-CG1 4.13Å; L51-I89 PolarHBondContact N-O 3.17Å; L51-I89 PolarHBondContact O-N 2.89Å; L51-I89 VanDerWaalsContact O-N 3.07Å |
| 52 | D | 90.3 | Very high | 83.3 | Confident | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.3 | 166.6 | 170.1 | 33.9 | 0 | 0 | 0 | 110.6 | K54 A55 A56 N87 | D52-K54 PolarHBondContact O-N 2.86Å; D52-K54 PolarHBondContact OD1-N 3.39Å; D52-K54 WeakPolarHBondContact OD2-CB 3.38Å; D52-A55 HydrophobicContact CB-CB 4.19Å; D52-A55 PolarHBondContact O-N 3.18Å; D52-A55 WeakPolarHBondContact OD2-CB 3.4Å; D52-A55 PolarHBondContact OD2-N 3.26Å; D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 3.28Å; D52-N87 WeakPolarHBondContact CA-O 3.41Å; D52-N87 VanDerWaalsContact OD1-O 3.13Å |
| 53 | L | 89.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -21.5 | 178.9 | -60.9 | 179 | 0 | 0 | 0 | 112.8 | F39 A57 I68 T72 N87 I89 | F39-L53 HydrophobicContact CE2-CD2 4.22Å; F39-L53 HydrophobicContact CZ-CD2 4.08Å; L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.89Å; L53-A57 VanDerWaalsContact O-N 3.13Å; L53-I68 HydrophobicContact CD2-CG2 3.99Å; L53-T72 HydrophobicContact CD2-CG2 4.01Å; L53-N87 WeakPolarHBondContact CB-O 3.42Å; L53-N87 WeakPolarHBondContact CG-O 3.35Å; L53-N87 PolarHBondContact N-O 2.89Å; L53-I89 HydrophobicContact CD1-CG2 4.22Å; L53-I89 HydrophobicContact CD2-CD1 4.08Å; L53-I89 HydrophobicContact CD2-CG1 3.98Å; L53-I89 HydrophobicContact CD2-CG2 4.07Å; L53-I89 HydrophobicContact CG-CG2 4.37Å |
| 54 | K | 87.2 | Confident | 81.8 | Confident | 109 Ų | 109 | 73.9 Ų | 73.9 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -75.1 | -59.2 | 172.8 | -62.7 | 174.8 | 176.7 | 176.5 | 0 | 110.5 | D52 A56 A57 D58 N87 | D52-K54 PolarHBondContact O-N 2.86Å; D52-K54 PolarHBondContact OD1-N 3.39Å; D52-K54 WeakPolarHBondContact OD2-CB 3.38Å; K54-A56 PolarHBondContact O-N 3.14Å; K54-A57 PolarHBondContact O-N 3.33Å; K54-D58 PolarHBondContact O-N 2.87Å; K54-N87 WeakPolarHBondContact CE-OD1 3.21Å |
| 55 | A | 86.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -52.5 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D52 T59 | D52-A55 HydrophobicContact CB-CB 4.19Å; D52-A55 PolarHBondContact O-N 3.18Å; D52-A55 WeakPolarHBondContact OD2-CB 3.4Å; D52-A55 PolarHBondContact OD2-N 3.26Å; A55-T59 VanDerWaalsContact O-CB 3.28Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 3.22Å; A55-T59 PolarHBondContact O-OG1 3.02Å |
| 56 | A | 88.3 | Confident | 82 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | F39 L51 D52 K54 D58 T59 L60 | F39-A56 HydrophobicContact CE2-CB 4.36Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; L51-A56 HydrophobicContact CD2-CB 3.91Å; L51-A56 HydrophobicContact CG-CB 4.04Å; D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 3.28Å; K54-A56 PolarHBondContact O-N 3.14Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.21Å; A56-T59 PolarHBondContact O-N 3.23Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.27Å |
| 57 | A | 87.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L53 K54 A61 V62 I68 | L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.89Å; L53-A57 VanDerWaalsContact O-N 3.13Å; K54-A57 PolarHBondContact O-N 3.33Å; A57-A61 PolarHBondContact O-N 3.09Å; A57-V62 PolarHBondContact O-N 2.8Å; A57-V62 VanDerWaalsContact O-N 3.11Å; A57-I68 HydrophobicContact CB-CD1 4.41Å; A57-I68 HydrophobicContact CB-CG1 4.11Å |
| 58 | D | 86.6 | Confident | 83.3 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74.2 | -44.9 | 178.8 | -60.6 | -28.2 | 0 | 0 | 0 | 110.6 | K54 A56 L60 A61 | K54-D58 PolarHBondContact O-N 2.87Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.21Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.45Å; D58-A61 PolarHBondContact O-N 2.86Å |
| 59 | T | 84.7 | Confident | 84.2 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -36.4 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | L42 A55 A56 A61 | L42-T59 HydrophobicContact CD1-CG2 3.9Å; L42-T59 HydrophobicContact CD2-CG2 4.08Å; A55-T59 VanDerWaalsContact O-CB 3.28Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 3.22Å; A55-T59 PolarHBondContact O-OG1 3.02Å; A56-T59 PolarHBondContact O-N 3.23Å; T59-A61 PolarHBondContact O-N 3.32Å |
| 60 | L | 82.5 | Confident | 84.9 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.4 | 175.9 | -66 | 169.8 | 0 | 0 | 0 | 113.2 | K38 F39 L42 A56 D58 V62 I68 | K38-L60 HydrophobicContact CB-CD2 3.28Å; K38-L60 HydrophobicContact CD-CD2 4.26Å; K38-L60 HydrophobicContact CG-CD2 4.42Å; F39-L60 HydrophobicContact CB-CD1 3.89Å; F39-L60 HydrophobicContact CD2-CD1 3.7Å; F39-L60 HydrophobicContact CG-CD1 4.29Å; L42-L60 HydrophobicContact CD1-CD1 4.31Å; L42-L60 HydrophobicContact CD1-CD2 3.92Å; L42-L60 HydrophobicContact CD1-CG 3.83Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.27Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.45Å; L60-V62 HydrophobicContact CB-CG2 3.4Å; L60-V62 VanDerWaalsContact CB-CG2 3.4Å; L60-V62 WeakPolarHBondContact O-CG2 3.35Å; L60-V62 PolarHBondContact O-N 3.25Å; L60-V62 VanDerWaalsContact O-N 3.15Å; L60-I68 HydrophobicContact CD1-CD1 4.07Å |
| 61 | A | 77.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 70 Ų | 70 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 34.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A57 D58 T59 R63 | A57-A61 PolarHBondContact O-N 3.09Å; D58-A61 PolarHBondContact O-N 2.86Å; T59-A61 PolarHBondContact O-N 3.32Å; A61-R63 PolarHBondContact O-N 2.89Å |
| 62 | V | 73.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | trans | -79 | 96.2 | -166.1 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | L35 A57 L60 Q64 R67 I68 | L35-V62 HydrophobicContact CD1-CG1 4.36Å; L35-V62 HydrophobicContact CD2-CG2 4.23Å; A57-V62 PolarHBondContact O-N 2.8Å; A57-V62 VanDerWaalsContact O-N 3.11Å; L60-V62 HydrophobicContact CB-CG2 3.4Å; L60-V62 VanDerWaalsContact CB-CG2 3.4Å; L60-V62 WeakPolarHBondContact O-CG2 3.35Å; L60-V62 PolarHBondContact O-N 3.25Å; L60-V62 VanDerWaalsContact O-N 3.15Å; V62-Q64 VanDerWaalsContact CG1-O 3.28Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å; V62-Q64 PolarHBondContact O-N 2.9Å; V62-R67 HydrophobicContact CG1-CB 3.9Å; V62-R67 HydrophobicContact CG1-CG 4.27Å; V62-I68 HydrophobicContact CG2-CD1 4.07Å | ||
| 63 | R | 67.2 | Low | 85.5 | Confident | 255 Ų | 255 | 71 Ų | 71 | 96% | 0.962 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -53.8 | -13.2 | 176 | -65.4 | -171.3 | -178.9 | -169.3 | 0.4 | 115.1 | A61 | A61-R63 PolarHBondContact O-N 2.89Š|
| 64 | Q | 76.4 | Confident | 85.6 | Confident | 120 Ų | 120 | 74 Ų | 74 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | trans | -134.3 | 99.2 | 177.6 | -68.1 | -179.6 | -8.5 | 0 | 0 | 110.8 | V62 R66 R67 | V62-Q64 VanDerWaalsContact CG1-O 3.28Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å; V62-Q64 PolarHBondContact O-N 2.9Å; Q64-R66 PolarHBondContact O-N 3.41Å; Q64-R67 HydrophobicContact CB-CG 4.25Å; Q64-R67 PolarHBondContact O-N 3.5Å | ||
| 65 | K | 80.2 | Confident | 85.8 | Confident | 122 Ų | 122 | 69.6 Ų | 69.6 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.5 | -179.3 | -63.3 | -163.4 | 174.7 | -162.6 | 0 | 114.2 | R67 I68 | K65-R67 PolarHBondContact O-N 2.91Å; K65-I68 PolarHBondContact O-N 2.91Å |
| 66 | R | 87.8 | Confident | 86 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.5 | -32.2 | 172.1 | -179 | 61.5 | -170.4 | 76.7 | 9.2 | 113.7 | Q64 I68 Y69 D70 | Q64-R66 PolarHBondContact O-N 3.41Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 2.83Å; R66-Y69 PolarHBondContact O-N 2.87Å; R66-D70 IonicContact CZ-OD1 3.4Å; R66-D70 IonicContact CZ-OD2 2.64Å; R66-D70 IonicContact NH1-OD1 2.67Å; R66-D70 PolarHBondContact NH1-OD1 3.25Å; R66-D70 IonicContact NH1-OD2 3.32Å; R66-D70 PolarHBondContact NH1-OD2 3.49Å; R66-D70 IonicContact NH2-OD1 3.28Å; R66-D70 PolarHBondContact NH2-OD1 3.42Å; R66-D70 PolarHBondContact O-N 3.33Å |
| 67 | R | 89.1 | Confident | 86 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 32% | 0.321 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -29.7 | -178.3 | -59.3 | -74.1 | 77.3 | 111.6 | -11.7 | 113.2 | L32 L35 V62 Q64 K65 Y69 D70 I71 | L32-R67 HydrophobicContact CD1-CB 4.4Å; L35-R67 HydrophobicContact CD1-CB 4.13Å; L35-R67 HydrophobicContact CD1-CG 4.43Å; V62-R67 HydrophobicContact CG1-CB 3.9Å; V62-R67 HydrophobicContact CG1-CG 4.27Å; Q64-R67 HydrophobicContact CB-CG 4.25Å; Q64-R67 PolarHBondContact O-N 3.5Å; K65-R67 PolarHBondContact O-N 2.91Å; R67-Y69 VanDerWaalsContact C-N 3.29Å; R67-Y69 PolarHBondContact O-N 2.9Å; R67-D70 IonicContact CZ-OD2 3.15Å; R67-D70 IonicContact NE-OD2 2.68Å; R67-D70 PolarHBondContact NE-OD2 2.83Å; R67-D70 IonicContact NH2-OD1 3.99Å; R67-D70 IonicContact NH2-OD2 2.69Å; R67-D70 PolarHBondContact NH2-OD2 3.05Å; R67-D70 PolarHBondContact O-N 2.67Å; R67-I71 WeakPolarHBondContact O-CG1 3.38Å; R67-I71 PolarHBondContact O-N 3.38Å |
| 68 | I | 89.9 | Confident | 86.1 | Confident | 6 Ų | 6 | 79.8 Ų | 79.8 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 173.2 | -59.8 | -61.3 | 0 | 0 | 0 | 109.9 | F39 L53 A57 L60 V62 K65 R66 D70 I71 T72 | F39-I68 HydrophobicContact CD2-CD1 4.17Å; F39-I68 HydrophobicContact CE2-CD1 4.27Å; F39-I68 HydrophobicContact CE2-CG2 4.02Å; L53-I68 HydrophobicContact CD2-CG2 3.99Å; A57-I68 HydrophobicContact CB-CD1 4.41Å; A57-I68 HydrophobicContact CB-CG1 4.11Å; L60-I68 HydrophobicContact CD1-CD1 4.07Å; V62-I68 HydrophobicContact CG2-CD1 4.07Å; K65-I68 PolarHBondContact O-N 2.91Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 2.83Å; I68-D70 VanDerWaalsContact C-N 3.31Å; I68-D70 PolarHBondContact O-N 2.83Å; I68-I71 PolarHBondContact O-N 3.48Å; I68-T72 HydrophobicContact CG2-CG2 4.2Å; I68-T72 PolarHBondContact O-N 3.06Å; I68-T72 PolarHBondContact O-OG1 2.84Å |
| 69 | Y | 91 | Very high | 86.1 | Confident | 123 Ų | 123 | 76.5 Ų | 76.5 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.5 | -26.4 | 177.2 | -50 | -48.8 | 0 | 0 | 0 | 113.7 | R66 R67 I71 T72 N73 | R66-Y69 PolarHBondContact O-N 2.87Å; R67-Y69 VanDerWaalsContact C-N 3.29Å; R67-Y69 PolarHBondContact O-N 2.9Å; Y69-I71 VanDerWaalsContact C-N 3.28Å; Y69-I71 PolarHBondContact O-N 2.84Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.34Å; Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 2.69Å; Y69-N73 PolarHBondContact O-OD1 3.16Å |
| 70 | D | 91.8 | Very high | 86.2 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -32.5 | 171.1 | -64.6 | -51.3 | 0 | 0 | 0 | 111.8 | L32 R66 R67 I68 V74 | L32-D70 HydrophobicContact CD1-CB 4.06Å; L32-D70 HydrophobicContact CD2-CB 3.99Å; R66-D70 IonicContact CZ-OD1 3.4Å; R66-D70 IonicContact CZ-OD2 2.64Å; R66-D70 IonicContact NH1-OD1 2.67Å; R66-D70 PolarHBondContact NH1-OD1 3.25Å; R66-D70 IonicContact NH1-OD2 3.32Å; R66-D70 PolarHBondContact NH1-OD2 3.49Å; R66-D70 IonicContact NH2-OD1 3.28Å; R66-D70 PolarHBondContact NH2-OD1 3.42Å; R66-D70 PolarHBondContact O-N 3.33Å; R67-D70 IonicContact CZ-OD2 3.15Å; R67-D70 IonicContact NE-OD2 2.68Å; R67-D70 PolarHBondContact NE-OD2 2.83Å; R67-D70 IonicContact NH2-OD1 3.99Å; R67-D70 IonicContact NH2-OD2 2.69Å; R67-D70 PolarHBondContact NH2-OD2 3.05Å; R67-D70 PolarHBondContact O-N 2.67Å; I68-D70 VanDerWaalsContact C-N 3.31Å; I68-D70 PolarHBondContact O-N 2.83Å; D70-V74 WeakPolarHBondContact O-CG2 2.87Å |
| 71 | I | 92.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -79.9 | -48.5 | 178.8 | -56.3 | 170.3 | 0 | 0 | 0 | 110.1 | L32 L35 T36 F39 R67 I68 Y69 V74 L75 | L32-I71 HydrophobicContact CD1-CD1 4.26Å; L32-I71 HydrophobicContact CD1-CG1 3.85Å; L35-I71 HydrophobicContact CB-CD1 3.92Å; T36-I71 HydrophobicContact CG2-CG2 4.24Å; F39-I71 HydrophobicContact CB-CD1 4.24Å; F39-I71 HydrophobicContact CB-CG2 4.41Å; F39-I71 HydrophobicContact CD1-CG2 3.61Å; F39-I71 HydrophobicContact CE1-CG2 3.97Å; F39-I71 HydrophobicContact CG-CD1 4.43Å; F39-I71 HydrophobicContact CG-CG2 4.01Å; R67-I71 WeakPolarHBondContact O-CG1 3.38Å; R67-I71 PolarHBondContact O-N 3.38Å; I68-I71 PolarHBondContact O-N 3.48Å; Y69-I71 VanDerWaalsContact C-N 3.28Å; Y69-I71 PolarHBondContact O-N 2.84Å; I71-V74 PolarHBondContact O-N 3.22Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.97Å; I71-L75 VanDerWaalsContact O-N 3.08Å |
| 72 | T | 92.1 | Very high | 87 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | -178.7 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | F39 L53 I68 Y69 V74 L75 E76 I81 I89 | F39-T72 HydrophobicContact CE1-CG2 4.47Å; F39-T72 HydrophobicContact CZ-CG2 3.84Å; L53-T72 HydrophobicContact CD2-CG2 4.01Å; I68-T72 HydrophobicContact CG2-CG2 4.2Å; I68-T72 PolarHBondContact O-N 3.06Å; I68-T72 PolarHBondContact O-OG1 2.84Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.34Å; T72-V74 PolarHBondContact O-N 3.25Å; T72-L75 PolarHBondContact O-N 3.36Å; T72-E76 WeakPolarHBondContact O-CB 3.24Å; T72-E76 PolarHBondContact O-N 3.41Å; T72-I81 HydrophobicContact CG2-CD1 4.17Å; T72-I89 HydrophobicContact CG2-CD1 4.34Å |
| 73 | N | 93.4 | Very high | 87.8 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -30.5 | -177.7 | -67 | 20.2 | 0 | 0 | 0 | 112.4 | Y69 G77 | Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 2.69Å; Y69-N73 PolarHBondContact O-OD1 3.16Å; N73-G77 PolarHBondContact O-N 3.08Å |
| 74 | V | 93.2 | Very high | 88.7 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75.3 | -46.1 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | D70 I71 T72 E76 G77 I78 | D70-V74 WeakPolarHBondContact O-CG2 2.87Å; I71-V74 PolarHBondContact O-N 3.22Å; T72-V74 PolarHBondContact O-N 3.25Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.44Å; V74-G77 PolarHBondContact O-N 3.42Å; V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.41Å; V74-I78 PolarHBondContact O-N 2.93Å |
| 75 | L | 90.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 178.2 | -67.1 | 174.8 | 0 | 0 | 0 | 112.8 | F39 V40 I71 T72 G79 L80 I81 | F39-L75 HydrophobicContact CD1-CD1 4.27Å; F39-L75 HydrophobicContact CE1-CD1 4.1Å; V40-L75 HydrophobicContact CG2-CD1 4.49Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.97Å; I71-L75 VanDerWaalsContact O-N 3.08Å; T72-L75 PolarHBondContact O-N 3.36Å; L75-G79 PolarHBondContact O-N 2.86Å; L75-G79 VanDerWaalsContact O-N 3.14Å; L75-L80 HydrophobicContact CD2-CD1 4.12Å; L75-L80 PolarHBondContact O-N 3.49Å; L75-I81 HydrophobicContact CB-CD1 3.79Å; L75-I81 HydrophobicContact CB-CG1 3.76Å; L75-I81 HydrophobicContact CB-CG2 4.14Å; L75-I81 HydrophobicContact CD1-CG2 4.43Å; L75-I81 PolarHBondContact O-N 3.08Å |
| 76 | E | 91.3 | Very high | 89.6 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.5 | -40.4 | 174.9 | -172.8 | 169.9 | -159.5 | 0 | 0 | 110.4 | T72 V74 I78 G79 I81 | T72-E76 WeakPolarHBondContact O-CB 3.24Å; T72-E76 PolarHBondContact O-N 3.41Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.44Å; E76-I78 VanDerWaalsContact C-N 3.28Å; E76-I78 PolarHBondContact O-N 3.42Å; E76-G79 PolarHBondContact O-N 3.43Å; E76-I81 HydrophobicContact CB-CD1 4.39Å; E76-I81 HydrophobicContact CB-CG1 4.03Å |
| 77 | G | 89.5 | Confident | 89.6 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.3 | -21.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N73 V74 | N73-G77 PolarHBondContact O-N 3.08Å; V74-G77 PolarHBondContact O-N 3.42Å |
| 78 | I | 88.5 | Confident | 89.6 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.2 | 170.3 | -57.2 | 161 | 0 | 0 | 0 | 110.9 | V74 E76 L80 | V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.41Å; V74-I78 PolarHBondContact O-N 2.93Å; E76-I78 VanDerWaalsContact C-N 3.28Å; E76-I78 PolarHBondContact O-N 3.42Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 HydrophobicContact CB-CG 4.36Å; I78-L80 HydrophobicContact CG2-CD1 4.04Å; I78-L80 HydrophobicContact CG2-CG 3.92Å; I78-L80 PolarHBondContact O-N 3.4Å |
| 79 | G | 86.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 7.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L75 E76 I81 | L75-G79 PolarHBondContact O-N 2.86Å; L75-G79 VanDerWaalsContact O-N 3.14Å; E76-G79 PolarHBondContact O-N 3.43Å; G79-I81 VanDerWaalsContact C-N 3.27Å; G79-I81 PolarHBondContact O-N 2.94Å |
| 80 | L | 86.9 | Confident | 89.5 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -73.5 | -17.4 | 179.9 | -65.6 | 177.3 | 0 | 0 | 0 | 113.4 | L75 I78 W91 K92 G93 | L75-L80 HydrophobicContact CD2-CD1 4.12Å; L75-L80 PolarHBondContact O-N 3.49Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 HydrophobicContact CB-CG 4.36Å; I78-L80 HydrophobicContact CG2-CD1 4.04Å; I78-L80 HydrophobicContact CG2-CG 3.92Å; I78-L80 PolarHBondContact O-N 3.4Å; L80-W91 HydrophobicContact CB-CH2 4.43Å; L80-W91 HydrophobicContact CB-CZ3 4.26Å; L80-K92 PolarHBondContact O-N 3.21Å; L80-G93 PolarHBondContact O-N 3.21Å |
| 81 | I | 88.2 | Confident | 89.3 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.7 | 172.3 | 66.8 | 172.1 | 0 | 0 | 0 | 111.1 | L43 T72 L75 E76 G79 I89 Q90 W91 | L43-I81 HydrophobicContact CD2-CG2 3.8Å; T72-I81 HydrophobicContact CG2-CD1 4.17Å; L75-I81 HydrophobicContact CB-CD1 3.79Å; L75-I81 HydrophobicContact CB-CG1 3.76Å; L75-I81 HydrophobicContact CB-CG2 4.14Å; L75-I81 HydrophobicContact CD1-CG2 4.43Å; L75-I81 PolarHBondContact O-N 3.08Å; E76-I81 HydrophobicContact CB-CD1 4.39Å; E76-I81 HydrophobicContact CB-CG1 4.03Å; G79-I81 VanDerWaalsContact C-N 3.27Å; G79-I81 PolarHBondContact O-N 2.94Å; I81-I89 HydrophobicContact CD1-CB 4.41Å; I81-I89 HydrophobicContact CD1-CD1 3.83Å; I81-I89 HydrophobicContact CD1-CG2 4.29Å; I81-I89 HydrophobicContact CG2-CD1 4.44Å; I81-Q90 CarbonylContact C-O 3.32Å; I81-Q90 WeakPolarHBondContact CA-O 3.35Å; I81-Q90 WeakPolarHBondContact CB-O 3.32Å; I81-W91 HydrophobicContact CG2-CE3 3.75Å; I81-W91 HydrophobicContact CG2-CZ3 4.29Å |
| 82 | E | 89.3 | Confident | 88.6 | Confident | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 162.6 | 163.2 | 74.1 | -174.1 | 153.8 | 0 | 0 | 112.3 | K84 I89 Q90 K92 | E82-K84 PolarHBondContact O-N 3.37Å; E82-I89 CarbonylContact O-C 3.56Å; E82-I89 VanDerWaalsContact O-CA 3.24Å; E82-I89 WeakPolarHBondContact O-CA 3.34Å; E82-I89 WeakPolarHBondContact O-CB 3.43Å; E82-Q90 HydrophobicContact CG-CB 4.24Å; E82-Q90 PolarHBondContact N-O 3.37Å; E82-Q90 PolarHBondContact O-N 2.91Å; E82-K92 HydrophobicContact CB-CD 4.16Å; E82-K92 HydrophobicContact CG-CD 4.47Å; E82-K92 WeakPolarHBondContact OE2-CE 3.38Å; E82-K92 IonicContact OE2-NZ 2.76Å; E82-K92 PolarHBondContact OE2-NZ 3.26Å |
| 83 | K | 90.4 | Very high | 87.4 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 61% | 0.613 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 91.2 | -178.2 | -176.1 | -177.7 | 176 | -176.8 | 0 | 111.6 | ||
| 84 | K | 85.9 | Confident | 85.8 | Confident | 121 Ų | 121 | 70.2 Ų | 70.2 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -33.9 | 178.2 | -164.2 | 170.8 | -164.3 | 156.6 | 0 | 113.4 | V50 E82 S88 Q90 | V50-K84 HydrophobicContact CG1-CD 4.1Å; V50-K84 HydrophobicContact CG2-CD 3.99Å; E82-K84 PolarHBondContact O-N 3.37Å; K84-S88 PolarHBondContact N-O 3.39Å; K84-Q90 HydrophobicContact CB-CB 4.39Å; K84-Q90 HydrophobicContact CD-CB 4.35Å |
| 85 | S | 89.8 | Confident | 84 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | -178.9 | 171.7 | 88.1 | 0 | 0 | 0 | 0 | 112.6 | N87 S88 | S85-N87 PolarHBondContact O-N 3.35Å; S85-N87 VanDerWaalsContact O-N 3.09Å; S85-N87 PolarHBondContact OG-N 2.64Å; S85-S88 PolarHBondContact N-O 2.88Å; S85-S88 PolarHBondContact O-N 3.38Å; S85-S88 VanDerWaalsContact O-O 3.07Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.49Å; S85-S88 PolarHBondContact OG-N 3.08Å |
| 86 | K | 85.3 | Confident | 82.3 | Confident | 185 Ų | 185 | 72.6 Ų | 72.6 | 80% | 0.804 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26 | 179.7 | -175.5 | 170.5 | 179.9 | 175.2 | 0 | 114.5 | ||
| 87 | N | 87.9 | Confident | 80.5 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 6.3 | 175.5 | -48.4 | -70.5 | 0 | 0 | 0 | 112.9 | D52 L53 K54 S85 | D52-N87 WeakPolarHBondContact CA-O 3.41Å; D52-N87 VanDerWaalsContact OD1-O 3.13Å; L53-N87 WeakPolarHBondContact CB-O 3.42Å; L53-N87 WeakPolarHBondContact CG-O 3.35Å; L53-N87 PolarHBondContact N-O 2.89Å; K54-N87 WeakPolarHBondContact CE-OD1 3.21Å; S85-N87 PolarHBondContact O-N 3.35Å; S85-N87 VanDerWaalsContact O-N 3.09Å; S85-N87 PolarHBondContact OG-N 2.64Å |
| 88 | S | 88.8 | Confident | 78.8 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.6 | -171.8 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V50 L51 K84 S85 | V50-S88 WeakPolarHBondContact CG1-OG 3.26Å; L51-S88 WeakPolarHBondContact O-CA 3.3Å; K84-S88 PolarHBondContact N-O 3.39Å; S85-S88 PolarHBondContact N-O 2.88Å; S85-S88 PolarHBondContact O-N 3.38Å; S85-S88 VanDerWaalsContact O-O 3.07Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.49Å; S85-S88 PolarHBondContact OG-N 3.08Å |
| 89 | I | 89.6 | Confident | 77.5 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 156 | 169.9 | 59.6 | 164.8 | 0 | 0 | 0 | 109.6 | F39 L43 V50 L51 L53 T72 I81 E82 | F39-I89 HydrophobicContact CE1-CD1 3.83Å; F39-I89 HydrophobicContact CZ-CD1 3.57Å; L43-I89 HydrophobicContact CD1-CD1 4.2Å; L43-I89 HydrophobicContact CD1-CG1 4.43Å; L43-I89 HydrophobicContact CD2-CD1 4Å; V50-I89 WeakPolarHBondContact CA-O 3.39Å; L51-I89 HydrophobicContact CB-CG1 4.13Å; L51-I89 PolarHBondContact N-O 3.17Å; L51-I89 PolarHBondContact O-N 2.89Å; L51-I89 VanDerWaalsContact O-N 3.07Å; L53-I89 HydrophobicContact CD1-CG2 4.22Å; L53-I89 HydrophobicContact CD2-CD1 4.08Å; L53-I89 HydrophobicContact CD2-CG1 3.98Å; L53-I89 HydrophobicContact CD2-CG2 4.07Å; L53-I89 HydrophobicContact CG-CG2 4.37Å; T72-I89 HydrophobicContact CG2-CD1 4.34Å; I81-I89 HydrophobicContact CD1-CB 4.41Å; I81-I89 HydrophobicContact CD1-CD1 3.83Å; I81-I89 HydrophobicContact CD1-CG2 4.29Å; I81-I89 HydrophobicContact CG2-CD1 4.44Å; E82-I89 CarbonylContact O-C 3.56Å; E82-I89 VanDerWaalsContact O-CA 3.24Å; E82-I89 WeakPolarHBondContact O-CA 3.34Å; E82-I89 WeakPolarHBondContact O-CB 3.43Å |
| 90 | Q | 88.2 | Confident | 76.4 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.5 | 173.1 | -176.7 | 170.2 | -31.2 | 0 | 0 | 110.2 | G49 V50 I81 E82 K84 | G49-Q90 CarbonylContact O-C 3.55Å; G49-Q90 WeakPolarHBondContact O-CA 3.22Å; V50-Q90 HydrophobicContact CG2-CB 4.35Å; V50-Q90 HydrophobicContact CG2-CG 4.1Å; I81-Q90 CarbonylContact C-O 3.32Å; I81-Q90 WeakPolarHBondContact CA-O 3.35Å; I81-Q90 WeakPolarHBondContact CB-O 3.32Å; E82-Q90 HydrophobicContact CG-CB 4.24Å; E82-Q90 PolarHBondContact N-O 3.37Å; E82-Q90 PolarHBondContact O-N 2.91Å; K84-Q90 HydrophobicContact CB-CB 4.39Å; K84-Q90 HydrophobicContact CD-CB 4.35Å |
| 91 | W | 87.6 | Confident | 75.6 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.7 | 175.1 | -176.7 | -101.4 | 0 | 0 | 0 | 110.9 | L43 G49 L80 I81 G93 C98 | L43-W91 HydrophobicContact CD1-CB 4.09Å; L43-W91 HydrophobicContact CD2-CD2 4.43Å; L43-W91 HydrophobicContact CD2-CE3 3.49Å; L43-W91 VanDerWaalsContact CD2-CE3 3.49Å; L43-W91 HydrophobicContact CD2-CZ3 4.05Å; L43-W91 HydrophobicContact CG-CB 4.14Å; L43-W91 HydrophobicContact CG-CD2 4.35Å; L43-W91 HydrophobicContact CG-CE3 3.84Å; G49-W91 PolarHBondContact O-N 2.98Å; L80-W91 HydrophobicContact CB-CH2 4.43Å; L80-W91 HydrophobicContact CB-CZ3 4.26Å; I81-W91 HydrophobicContact CG2-CE3 3.75Å; I81-W91 HydrophobicContact CG2-CZ3 4.29Å; W91-G93 PolarHBondContact NE1-O 2.84Å; W91-C98 PolarHBondContact O-SG 2.98Å |
| 92 | K | 77.6 | Confident | 74.9 | Confident | 119 Ų | 119 | 78.2 Ų | 78.2 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | trans | -94.5 | -19.5 | 176.5 | -83.3 | -175.6 | 159.5 | 158.8 | 0 | 113.7 | L80 E82 | L80-K92 PolarHBondContact O-N 3.21Å; E82-K92 HydrophobicContact CB-CD 4.16Å; E82-K92 HydrophobicContact CG-CD 4.47Å; E82-K92 WeakPolarHBondContact OE2-CE 3.38Å; E82-K92 IonicContact OE2-NZ 2.76Å; E82-K92 PolarHBondContact OE2-NZ 3.26Å | ||
| 93 | G | 66.6 | Low | 74.4 | Confident | 15 Ų | 15 | 79.7 Ų | 79.7 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -67.7 | 152.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L80 W91 G95 | L80-G93 PolarHBondContact O-N 3.21Å; W91-G93 PolarHBondContact NE1-O 2.84Å; G93-G95 PolarHBondContact O-N 3.12Å |
| 94 | V | 60.3 | Low | 74 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 81% | 0.812 | 41% | 0.406 | S | S | * | . | trans | -65.8 | 122.4 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | T100 | V94-T100 HydrophobicContact CG1-CG2 4.26Š| ||
| 95 | G | 56.6 | Low | 74 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -157.9 | 153.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G93 G97 C98 | G93-G95 PolarHBondContact O-N 3.12Å; G95-G97 PolarHBondContact O-N 2.93Å; G95-C98 PolarHBondContact O-N 3.41Å |
| 96 | P | 53.1 | Low | 74 | Confident | 142 Ų | 142 | 75.4 Ų | 75.4 | 92% | 0.922 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 9.1 | -164.5 | 28 | -36.4 | 0 | 0 | 0 | 116.3 | ||
| 97 | G | 55.1 | Low | 74.2 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | 2.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G95 | G95-G97 PolarHBondContact O-N 2.93Š|
| 98 | C | 53.8 | Low | 74.5 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 7% | 0.074 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 118.2 | -177.8 | -175.1 | 0 | 0 | 0 | 0 | 111 | W91 G95 T100 | W91-C98 PolarHBondContact O-SG 2.98Å; G95-C98 PolarHBondContact O-N 3.41Å; C98-T100 PolarHBondContact O-N 3.46Å; C98-T100 PolarHBondContact O-OG1 3.08Å |
| 99 | N | 59.6 | Low | 74.8 | Confident | 64 Ų | 64 | 81 Ų | 81 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 50 | -16.8 | 165.1 | -56.6 | -15.9 | 0 | 0 | 0 | 119.9 | R101 E102 I103 | N99-R101 VanDerWaalsContact C-N 3.26Å; N99-R101 PolarHBondContact O-N 3.28Å; N99-E102 PolarHBondContact O-N 2.99Å; N99-E102 VanDerWaalsContact O-N 3.15Å; N99-I103 HydrophobicContact CB-CD1 3.85Å; N99-I103 HydrophobicContact CB-CG1 4.47Å; N99-I103 VanDerWaalsContact O-CG1 3.32Å; N99-I103 WeakPolarHBondContact O-CG1 3.46Å; N99-I103 PolarHBondContact O-N 3.21Å |
| 100 | T | 63.8 | Low | 75.1 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | -169.1 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | V94 C98 A104 | V94-T100 HydrophobicContact CG1-CG2 4.26Å; C98-T100 PolarHBondContact O-N 3.46Å; C98-T100 PolarHBondContact O-OG1 3.08Å; T100-A104 VanDerWaalsContact O-CB 3.26Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.11Å |
| 101 | R | 69.3 | Low | 75.5 | Confident | 196 Ų | 196 | 89.9 Ų | 89.9 | 74% | 0.74 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.7 | -52.8 | 174.2 | 178.6 | 168.6 | -179.6 | 156.2 | 3.6 | 112.1 | N99 I103 A104 D105 | N99-R101 VanDerWaalsContact C-N 3.26Å; N99-R101 PolarHBondContact O-N 3.28Å; R101-I103 PolarHBondContact O-N 2.94Å; R101-A104 PolarHBondContact O-N 3.31Å; R101-A104 VanDerWaalsContact O-N 3.1Å; R101-D105 VanDerWaalsContact CG-OD2 3.27Å; R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 3.35Å; R101-D105 PolarHBondContact NE-OD2 2.88Å; R101-D105 WeakPolarHBondContact O-CB 3.5Å; R101-D105 PolarHBondContact O-N 3.09Å |
| 102 | E | 75.3 | Confident | 75.9 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 178.5 | -66.6 | -171.9 | -162.3 | 0 | 0 | 112.7 | N99 K106 | N99-E102 PolarHBondContact O-N 2.99Å; N99-E102 VanDerWaalsContact O-N 3.15Å; E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.37Å; E102-K106 WeakPolarHBondContact O-CG 3.23Å; E102-K106 PolarHBondContact O-N 3.21Å; E102-K106 IonicContact OE2-NZ 2.69Å; E102-K106 PolarHBondContact OE2-NZ 3.29Å |
| 103 | I | 78.1 | Confident | 76.9 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.3 | -67 | 165.8 | 0 | 0 | 0 | 110.5 | N99 R101 L107 | N99-I103 HydrophobicContact CB-CD1 3.85Å; N99-I103 HydrophobicContact CB-CG1 4.47Å; N99-I103 VanDerWaalsContact O-CG1 3.32Å; N99-I103 WeakPolarHBondContact O-CG1 3.46Å; N99-I103 PolarHBondContact O-N 3.21Å; R101-I103 PolarHBondContact O-N 2.94Å; I103-L107 VanDerWaalsContact O-CB 3.26Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 PolarHBondContact O-N 3.28Å |
| 104 | A | 81.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | T100 R101 L107 M108 | T100-A104 VanDerWaalsContact O-CB 3.26Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.11Å; R101-A104 PolarHBondContact O-N 3.31Å; R101-A104 VanDerWaalsContact O-N 3.1Å; A104-L107 PolarHBondContact O-N 3.47Å; A104-M108 WeakPolarHBondContact O-CB 3.35Å; A104-M108 PolarHBondContact O-N 2.87Å |
| 105 | D | 86.8 | Confident | 80.2 | Confident | 74 Ų | 74 | 93.8 Ų | 93.8 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.5 | -66.6 | -18.4 | 0 | 0 | 0 | 109.6 | R101 M108 E109 | R101-D105 VanDerWaalsContact CG-OD2 3.27Å; R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 3.35Å; R101-D105 PolarHBondContact NE-OD2 2.88Å; R101-D105 WeakPolarHBondContact O-CB 3.5Å; R101-D105 PolarHBondContact O-N 3.09Å; D105-M108 WeakPolarHBondContact O-CB 3.36Å; D105-M108 PolarHBondContact O-N 2.99Å; D105-E109 PolarHBondContact O-N 3.32Å |
| 106 | K | 88.7 | Confident | 82.2 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 172.3 | -74.4 | 164.3 | -174.8 | 152.5 | 0 | 113.5 | E102 M108 E109 L110 | E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.37Å; E102-K106 WeakPolarHBondContact O-CG 3.23Å; E102-K106 PolarHBondContact O-N 3.21Å; E102-K106 IonicContact OE2-NZ 2.69Å; E102-K106 PolarHBondContact OE2-NZ 3.29Å; K106-M108 VanDerWaalsContact C-N 3.28Å; K106-M108 PolarHBondContact O-N 3.4Å; K106-E109 PolarHBondContact O-N 2.99Å; K106-L110 VanDerWaalsContact O-CD1 3.24Å; K106-L110 WeakPolarHBondContact O-CD1 3.48Å; K106-L110 PolarHBondContact O-N 2.87Å |
| 107 | L | 89.8 | Confident | 84.3 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 176.5 | -167.7 | 160.4 | 0 | 0 | 0 | 110.6 | I103 A104 K111 | I103-L107 VanDerWaalsContact O-CB 3.26Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 PolarHBondContact O-N 3.28Å; A104-L107 PolarHBondContact O-N 3.47Å; L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.21Å; L107-K111 PolarHBondContact O-N 3.32Å |
| 108 | M | 93.1 | Very high | 86.4 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 173.2 | -165.2 | -177.8 | -52.9 | 0 | 0 | 112.1 | A104 D105 K106 K111 A112 | A104-M108 WeakPolarHBondContact O-CB 3.35Å; A104-M108 PolarHBondContact O-N 2.87Å; D105-M108 WeakPolarHBondContact O-CB 3.36Å; D105-M108 PolarHBondContact O-N 2.99Å; K106-M108 VanDerWaalsContact C-N 3.28Å; K106-M108 PolarHBondContact O-N 3.4Å; M108-K111 PolarHBondContact O-N 2.93Å; M108-A112 PolarHBondContact O-N 3.45Å |
| 109 | E | 95.6 | Very high | 88.5 | Confident | 131 Ų | 131 | 100.9 Ų | 100.9 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -54.4 | 175.2 | -175.7 | 172.3 | -141.2 | 0 | 0 | 111.9 | D105 K106 K111 A112 E113 | D105-E109 PolarHBondContact O-N 3.32Å; K106-E109 PolarHBondContact O-N 2.99Å; E109-K111 PolarHBondContact O-N 2.79Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-A112 VanDerWaalsContact O-N 3.08Å; E109-E113 PolarHBondContact O-N 2.56Å |
| 110 | L | 96 | Very high | 90.3 | Very high | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -32.4 | 176.6 | -89.9 | 75.1 | 0 | 0 | 0 | 112.3 | K106 L114 | K106-L110 VanDerWaalsContact O-CD1 3.24Å; K106-L110 WeakPolarHBondContact O-CD1 3.48Å; K106-L110 PolarHBondContact O-N 2.87Å; L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3Å |
| 111 | K | 96.3 | Very high | 92 | Very high | 124 Ų | 124 | 107.5 Ų | 107.5 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 173.4 | -175.1 | -177.5 | 173.7 | -169.8 | 0 | 111.1 | L107 M108 E109 E113 L114 D115 | L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.21Å; L107-K111 PolarHBondContact O-N 3.32Å; M108-K111 PolarHBondContact O-N 2.93Å; E109-K111 PolarHBondContact O-N 2.79Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.31Å; K111-L114 PolarHBondContact O-N 3.3Å; K111-D115 WeakPolarHBondContact CE-OD2 3.3Å; K111-D115 PolarHBondContact O-N 2.96Å |
| 112 | A | 97.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M108 E109 D115 D116 | M108-A112 PolarHBondContact O-N 3.45Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-A112 VanDerWaalsContact O-N 3.08Å; A112-D115 PolarHBondContact O-N 2.87Å; A112-D116 WeakPolarHBondContact O-CB 3.24Å; A112-D116 PolarHBondContact O-N 3.28Å |
| 113 | E | 97.9 | Very high | 94.5 | Very high | 116 Ų | 116 | 100.4 Ų | 100.4 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 172.1 | -172.9 | 176.6 | -162.9 | 0 | 0 | 112 | E109 K111 D116 L117 | E109-E113 PolarHBondContact O-N 2.56Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.31Å; E113-D116 PolarHBondContact O-N 3.14Å; E113-L117 HydrophobicContact CG-CD1 4.06Å; E113-L117 HydrophobicContact CG-CG 4.49Å; E113-L117 WeakPolarHBondContact O-CB 3.39Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 3.15Å |
| 114 | L | 97.8 | Very high | 95.4 | Very high | 116 Ų | 116 | 100 Ų | 100 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 173.7 | -74.7 | 169.3 | 0 | 0 | 0 | 112.6 | L110 K111 A118 | L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3Å; K111-L114 PolarHBondContact O-N 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å |
| 115 | D | 98.1 | Very high | 96.2 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 177.6 | -70.3 | -27.9 | 0 | 0 | 0 | 110.9 | K111 A112 L119 | K111-D115 WeakPolarHBondContact CE-OD2 3.3Å; K111-D115 PolarHBondContact O-N 2.96Å; A112-D115 PolarHBondContact O-N 2.87Å; D115-L119 WeakPolarHBondContact O-CG 3.2Å; D115-L119 PolarHBondContact O-N 3.1Å |
| 116 | D | 98.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -44.6 | 174 | -174.3 | 75.3 | 0 | 0 | 0 | 112.7 | A112 E113 A118 L119 R120 | A112-D116 WeakPolarHBondContact O-CB 3.24Å; A112-D116 PolarHBondContact O-N 3.28Å; E113-D116 PolarHBondContact O-N 3.14Å; D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 3.34Å; D116-L119 WeakPolarHBondContact O-CB 3.33Å; D116-L119 PolarHBondContact O-N 2.94Å; D116-L119 VanDerWaalsContact O-N 3.17Å; D116-R120 WeakPolarHBondContact O-CB 3.27Å; D116-R120 PolarHBondContact O-N 3.28Å |
| 117 | L | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.7 | -73.5 | 171.3 | 0 | 0 | 0 | 111.7 | E113 R120 E121 | E113-L117 HydrophobicContact CG-CD1 4.06Å; E113-L117 HydrophobicContact CG-CG 4.49Å; E113-L117 WeakPolarHBondContact O-CB 3.39Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 3.15Å; L117-R120 PolarHBondContact O-N 2.97Å; L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.07Å |
| 118 | A | 98.2 | Very high | 97.7 | Very high | 55 Ų | 55 | 99.5 Ų | 99.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L114 D116 R120 N122 | L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å; D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 3.34Å; A118-R120 VanDerWaalsContact C-N 3.32Å; A118-N122 WeakPolarHBondContact O-CB 3.26Å; A118-N122 PolarHBondContact O-N 3.2Å; A118-N122 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 98.4 | Very high | 97.9 | Very high | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 171.5 | -72.5 | 170.4 | 0 | 0 | 0 | 111.5 | D115 D116 E123 | D115-L119 WeakPolarHBondContact O-CG 3.2Å; D115-L119 PolarHBondContact O-N 3.1Å; D116-L119 WeakPolarHBondContact O-CB 3.33Å; D116-L119 PolarHBondContact O-N 2.94Å; D116-L119 VanDerWaalsContact O-N 3.17Å; L119-E123 PolarHBondContact O-N 3.05Å |
| 120 | R | 98.3 | Very high | 98 | Very high | 129 Ų | 129 | 98.4 Ų | 98.4 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.3 | -36.4 | -179.6 | -171 | 146.4 | -153.4 | 64.7 | 14.5 | 113.4 | D116 L117 A118 E123 L124 | D116-R120 WeakPolarHBondContact O-CB 3.27Å; D116-R120 PolarHBondContact O-N 3.28Å; L117-R120 PolarHBondContact O-N 2.97Å; A118-R120 VanDerWaalsContact C-N 3.32Å; R120-E123 IonicContact CZ-OE2 2.71Å; R120-E123 IonicContact NH1-OE2 2.82Å; R120-E123 PolarHBondContact NH1-OE2 2.98Å; R120-E123 IonicContact NH2-OE2 2.69Å; R120-E123 PolarHBondContact O-N 3.14Å; R120-L124 WeakPolarHBondContact O-CG 3.28Å; R120-L124 PolarHBondContact O-N 3.27Å; R120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | E | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 97.7 Ų | 97.7 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 170.8 | -176.9 | 170.1 | -147.9 | 0 | 0 | 110.8 | L117 E123 L124 D125 | L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.07Å; E121-E123 PolarHBondContact O-N 3.11Å; E121-L124 PolarHBondContact O-N 3.42Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E121-D125 PolarHBondContact O-N 3.43Å |
| 122 | N | 98.3 | Very high | 98.2 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 174.9 | 177.4 | 33.8 | 0 | 0 | 0 | 113 | A118 Q126 | A118-N122 WeakPolarHBondContact O-CB 3.26Å; A118-N122 PolarHBondContact O-N 3.2Å; A118-N122 VanDerWaalsContact O-N 3.12Å; N122-Q126 VanDerWaalsContact CG-NE2 3.33Å; N122-Q126 PolarHBondContact ND2-NE2 2.85Å; N122-Q126 WeakPolarHBondContact O-CG 3.49Å; N122-Q126 PolarHBondContact O-N 2.67Å; N122-Q126 VanDerWaalsContact O-N 3.08Å; N122-Q126 PolarHBondContact O-NE2 3.18Å; N122-Q126 PolarHBondContact OD1-NE2 2.79Å |
| 123 | E | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 99 Ų | 99 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 171.5 | -175 | -171.2 | -163.7 | 0 | 0 | 111 | L119 R120 E121 D125 Q126 Q127 | L119-E123 PolarHBondContact O-N 3.05Å; R120-E123 IonicContact CZ-OE2 2.71Å; R120-E123 IonicContact NH1-OE2 2.82Å; R120-E123 PolarHBondContact NH1-OE2 2.98Å; R120-E123 IonicContact NH2-OE2 2.69Å; R120-E123 PolarHBondContact O-N 3.14Å; E121-E123 PolarHBondContact O-N 3.11Å; E123-D125 PolarHBondContact O-N 3.05Å; E123-Q126 PolarHBondContact O-N 3.32Å; E123-Q127 WeakPolarHBondContact O-CG 3.26Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.36Å; E123-Q127 VanDerWaalsContact OE1-NE2 3.09Å |
| 124 | L | 98.5 | Very high | 98.3 | Very high | 95 Ų | 95 | 96.8 Ų | 96.8 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | -178.1 | -71.9 | 169.5 | 0 | 0 | 0 | 112.3 | R120 E121 Q127 K128 | R120-L124 WeakPolarHBondContact O-CG 3.28Å; R120-L124 PolarHBondContact O-N 3.27Å; R120-L124 VanDerWaalsContact O-N 3.08Å; E121-L124 PolarHBondContact O-N 3.42Å; E121-L124 VanDerWaalsContact O-N 3.16Å; L124-Q127 PolarHBondContact O-N 3.46Å; L124-K128 VanDerWaalsContact O-CB 3.22Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 PolarHBondContact O-N 2.78Å |
| 125 | D | 98.5 | Very high | 98.2 | Very high | 74 Ų | 74 | 96 Ų | 96 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 176.3 | -104 | -11.7 | 0 | 0 | 0 | 112.6 | E121 E123 K128 V129 | E121-D125 PolarHBondContact O-N 3.43Å; E123-D125 PolarHBondContact O-N 3.05Å; D125-K128 PolarHBondContact O-N 3.47Å; D125-K128 WeakPolarHBondContact OD1-CD 3.46Å; D125-K128 WeakPolarHBondContact OD1-CE 3.31Å; D125-K128 IonicContact OD1-NZ 3.52Å; D125-K128 PolarHBondContact OD1-NZ 3.39Å; D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.93Å |
| 126 | Q | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 97 Ų | 97 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 170.5 | -74.3 | 173.8 | 57 | 0 | 0 | 111.6 | N122 E123 K128 V129 W130 | N122-Q126 VanDerWaalsContact CG-NE2 3.33Å; N122-Q126 PolarHBondContact ND2-NE2 2.85Å; N122-Q126 WeakPolarHBondContact O-CG 3.49Å; N122-Q126 PolarHBondContact O-N 2.67Å; N122-Q126 VanDerWaalsContact O-N 3.08Å; N122-Q126 PolarHBondContact O-NE2 3.18Å; N122-Q126 PolarHBondContact OD1-NE2 2.79Å; E123-Q126 PolarHBondContact O-N 3.32Å; Q126-K128 VanDerWaalsContact C-N 3.34Å; Q126-K128 PolarHBondContact O-N 3.09Å; Q126-V129 PolarHBondContact O-N 3.17Å; Q126-W130 HydrophobicContact CB-CH2 4.19Å; Q126-W130 HydrophobicContact CB-CZ2 3.98Å; Q126-W130 PolarHBondContact O-N 2.9Å |
| 127 | Q | 98.3 | Very high | 98 | Very high | 78 Ų | 78 | 97.1 Ų | 97.1 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.6 | -70.8 | 177.9 | 14.5 | 0 | 0 | 111.9 | E123 L124 W130 V131 | E123-Q127 WeakPolarHBondContact O-CG 3.26Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.36Å; E123-Q127 VanDerWaalsContact OE1-NE2 3.09Å; L124-Q127 PolarHBondContact O-N 3.46Å; Q127-W130 HydrophobicContact CG-CE3 4.21Å; Q127-W130 HydrophobicContact CG-CZ3 4.13Å; Q127-W130 PolarHBondContact O-N 3.11Å; Q127-V131 WeakPolarHBondContact O-CB 3.26Å; Q127-V131 WeakPolarHBondContact O-CG2 3.47Å; Q127-V131 PolarHBondContact O-N 2.88Å |
| 128 | K | 98.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 174.6 | 168.4 | 177.4 | 139.7 | -156.4 | 0 | 111.9 | L124 D125 Q126 V131 Q132 | L124-K128 VanDerWaalsContact O-CB 3.22Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 PolarHBondContact O-N 2.78Å; D125-K128 PolarHBondContact O-N 3.47Å; D125-K128 WeakPolarHBondContact OD1-CD 3.46Å; D125-K128 WeakPolarHBondContact OD1-CE 3.31Å; D125-K128 IonicContact OD1-NZ 3.52Å; D125-K128 PolarHBondContact OD1-NZ 3.39Å; Q126-K128 VanDerWaalsContact C-N 3.34Å; Q126-K128 PolarHBondContact O-N 3.09Å; K128-V131 PolarHBondContact O-N 3Å; K128-Q132 WeakPolarHBondContact O-CB 3.46Å; K128-Q132 VanDerWaalsContact O-CG 3.27Å; K128-Q132 WeakPolarHBondContact O-CG 3.41Å; K128-Q132 PolarHBondContact O-N 2.8Å |
| 129 | V | 98.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | D125 Q126 Q132 Q133 | D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 PolarHBondContact O-N 3.17Å; V129-Q132 PolarHBondContact O-N 3.01Å; V129-Q133 WeakPolarHBondContact O-CB 3.43Å; V129-Q133 PolarHBondContact O-N 3.38Å |
| 130 | W | 98.1 | Very high | 97.3 | Very high | 161 Ų | 161 | 97.8 Ų | 97.8 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 176.1 | -61.5 | -24.2 | 0 | 0 | 0 | 112.4 | Q126 Q127 Q133 S134 | Q126-W130 HydrophobicContact CB-CH2 4.19Å; Q126-W130 HydrophobicContact CB-CZ2 3.98Å; Q126-W130 PolarHBondContact O-N 2.9Å; Q127-W130 HydrophobicContact CG-CE3 4.21Å; Q127-W130 HydrophobicContact CG-CZ3 4.13Å; Q127-W130 PolarHBondContact O-N 3.11Å; W130-Q133 PolarHBondContact O-N 2.85Å; W130-S134 WeakPolarHBondContact O-CB 3.21Å; W130-S134 PolarHBondContact O-N 2.67Å |
| 131 | V | 98.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 94.8 Ų | 94.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | Q127 K128 Q133 S134 I135 | Q127-V131 WeakPolarHBondContact O-CB 3.26Å; Q127-V131 WeakPolarHBondContact O-CG2 3.47Å; Q127-V131 PolarHBondContact O-N 2.88Å; K128-V131 PolarHBondContact O-N 3Å; V131-Q133 PolarHBondContact O-N 2.94Å; V131-S134 PolarHBondContact O-N 3.07Å; V131-I135 HydrophobicContact CG1-CD1 3.85Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 2.84Å |
| 132 | Q | 98 | Very high | 96.9 | Very high | 116 Ų | 116 | 93.2 Ų | 93.2 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.4 | -76 | 176.4 | -16.1 | 0 | 0 | 112 | K128 V129 K136 | K128-Q132 WeakPolarHBondContact O-CB 3.46Å; K128-Q132 VanDerWaalsContact O-CG 3.27Å; K128-Q132 WeakPolarHBondContact O-CG 3.41Å; K128-Q132 PolarHBondContact O-N 2.8Å; V129-Q132 PolarHBondContact O-N 3.01Å; Q132-K136 WeakPolarHBondContact O-CB 3.44Å; Q132-K136 PolarHBondContact O-N 2.89Å |
| 133 | Q | 97.9 | Very high | 96.6 | Very high | 95 Ų | 95 | 90.9 Ų | 90.9 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | 176.2 | -171.4 | 60.4 | 55.2 | 0 | 0 | 112 | V129 W130 V131 K136 N137 | V129-Q133 WeakPolarHBondContact O-CB 3.43Å; V129-Q133 PolarHBondContact O-N 3.38Å; W130-Q133 PolarHBondContact O-N 2.85Å; V131-Q133 PolarHBondContact O-N 2.94Å; Q133-K136 PolarHBondContact O-N 2.93Å; Q133-N137 PolarHBondContact NE2-OD1 3.18Å; Q133-N137 WeakPolarHBondContact O-CB 3.24Å; Q133-N137 PolarHBondContact O-N 2.89Å; Q133-N137 PolarHBondContact O-ND2 3.29Å; Q133-N137 PolarHBondContact O-OD1 3.39Å |
| 134 | S | 97.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 89.7 Ų | 89.7 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 174.8 | 178 | 0 | 0 | 0 | 0 | 111.9 | W130 V131 K136 N137 V138 | W130-S134 WeakPolarHBondContact O-CB 3.21Å; W130-S134 PolarHBondContact O-N 2.67Å; V131-S134 PolarHBondContact O-N 3.07Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.09Å; S134-N137 PolarHBondContact O-N 2.91Å; S134-V138 WeakPolarHBondContact O-CG2 3.5Å; S134-V138 PolarHBondContact O-N 2.95Å; S134-V138 VanDerWaalsContact O-N 3.14Å |
| 135 | I | 96.9 | Very high | 95.9 | Very high | 100 Ų | 100 | 89.2 Ų | 89.2 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.1 | -50.4 | 173 | -69.8 | 165.4 | 0 | 0 | 0 | 109.3 | V131 N137 V138 T139 | V131-I135 HydrophobicContact CG1-CD1 3.85Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 2.84Å; I135-N137 PolarHBondContact O-N 2.87Å; I135-V138 PolarHBondContact O-N 3.06Å; I135-T139 HydrophobicContact CG2-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.43Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 2.83Å |
| 136 | K | 95.8 | Very high | 95.6 | Very high | 105 Ų | 105 | 90.1 Ų | 90.1 | 46% | 0.457 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 178.5 | -172.8 | 176.9 | 179.1 | -179.7 | 0 | 112.7 | Q132 Q133 S134 V138 T139 D140 | Q132-K136 WeakPolarHBondContact O-CB 3.44Å; Q132-K136 PolarHBondContact O-N 2.89Å; Q133-K136 PolarHBondContact O-N 2.93Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.09Å; K136-V138 PolarHBondContact O-N 3.4Å; K136-T139 WeakPolarHBondContact CA-OG1 3.05Å; K136-T139 PolarHBondContact O-N 2.75Å; K136-T139 PolarHBondContact O-OG1 3.44Å; K136-D140 WeakPolarHBondContact CE-OD2 3.22Å; K136-D140 VanDerWaalsContact CG-OD2 3.24Å; K136-D140 WeakPolarHBondContact CG-OD2 3.48Å; K136-D140 VanDerWaalsContact O-CB 3.23Å; K136-D140 WeakPolarHBondContact O-CB 3.44Å; K136-D140 VanDerWaalsContact O-CG 3.26Å; K136-D140 PolarHBondContact O-N 3.01Å |
| 137 | N | 95.6 | Very high | 95.3 | Very high | 103 Ų | 103 | 92.2 Ų | 92.2 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -31.7 | 177.5 | -70.4 | -8.5 | 0 | 0 | 0 | 112.5 | Q133 S134 I135 | Q133-N137 PolarHBondContact NE2-OD1 3.18Å; Q133-N137 WeakPolarHBondContact O-CB 3.24Å; Q133-N137 PolarHBondContact O-N 2.89Å; Q133-N137 PolarHBondContact O-ND2 3.29Å; Q133-N137 PolarHBondContact O-OD1 3.39Å; S134-N137 PolarHBondContact O-N 2.91Å; I135-N137 PolarHBondContact O-N 2.87Å |
| 138 | V | 95.6 | Very high | 95 | Very high | 84 Ų | 84 | 92.7 Ų | 92.7 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.7 | -37.7 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | S134 I135 K136 N144 | S134-V138 WeakPolarHBondContact O-CG2 3.5Å; S134-V138 PolarHBondContact O-N 2.95Å; S134-V138 VanDerWaalsContact O-N 3.14Å; I135-V138 PolarHBondContact O-N 3.06Å; K136-V138 PolarHBondContact O-N 3.4Å; V138-N144 WeakPolarHBondContact O-CB 3.33Å; V138-N144 PolarHBondContact O-ND2 2.71Å |
| 139 | T | 93.2 | Very high | 94.7 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.4 | -36.6 | 179.9 | 55 | 0 | 0 | 0 | 0 | 113.8 | I135 K136 D141 | I135-T139 HydrophobicContact CG2-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.43Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 2.83Å; K136-T139 WeakPolarHBondContact CA-OG1 3.05Å; K136-T139 PolarHBondContact O-N 2.75Å; K136-T139 PolarHBondContact O-OG1 3.44Å; T139-D141 VanDerWaalsContact C-N 3.31Å |
| 140 | D | 92.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 96 Ų | 96 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -84.5 | -9.6 | -175 | -62.9 | 16.3 | 0 | 0 | 0 | 111.7 | K136 S142 | K136-D140 WeakPolarHBondContact CE-OD2 3.22Å; K136-D140 VanDerWaalsContact CG-OD2 3.24Å; K136-D140 WeakPolarHBondContact CG-OD2 3.48Å; K136-D140 VanDerWaalsContact O-CB 3.23Å; K136-D140 WeakPolarHBondContact O-CB 3.44Å; K136-D140 VanDerWaalsContact O-CG 3.26Å; K136-D140 PolarHBondContact O-N 3.01Å; D140-S142 PolarHBondContact O-N 3.2Å |
| 141 | D | 94.8 | Very high | 94.1 | Very high | 66 Ų | 66 | 93.4 Ų | 93.4 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | trans | -68.6 | 119.2 | 171.9 | 173.9 | 28.7 | 0 | 0 | 0 | 111.6 | T139 G143 N144 S145 | T139-D141 VanDerWaalsContact C-N 3.31Å; D141-G143 VanDerWaalsContact CG-N 3.34Å; D141-G143 PolarHBondContact O-N 3.28Å; D141-G143 VanDerWaalsContact O-N 3.11Å; D141-G143 PolarHBondContact OD1-N 3Å; D141-N144 PolarHBondContact O-N 3.13Å; D141-N144 PolarHBondContact OD2-ND2 3.43Å; D141-S145 PolarHBondContact O-N 2.95Å | ||
| 142 | S | 92.4 | Very high | 93.5 | Very high | 104 Ų | 104 | 94.7 Ų | 94.7 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -28.7 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | D140 P146 | D140-S142 PolarHBondContact O-N 3.2Å; S142-P146 VanDerWaalsContact O-CD 3.24Å; S142-P146 WeakPolarHBondContact O-CD 3.3Å |
| 143 | G | 93 | Very high | 93.1 | Very high | 36 Ų | 36 | 96.1 Ų | 96.1 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D141 P146 | D141-G143 VanDerWaalsContact CG-N 3.34Å; D141-G143 PolarHBondContact O-N 3.28Å; D141-G143 VanDerWaalsContact O-N 3.11Å; D141-G143 PolarHBondContact OD1-N 3Å; G143-P146 WeakPolarHBondContact O-CD 3.39Å |
| 144 | N | 92.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 95.6 Ų | 95.6 | 27% | 0.267 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -26.6 | -178.6 | -62.6 | -37.3 | 0 | 0 | 0 | 113.1 | V138 D141 M147 A148 | V138-N144 WeakPolarHBondContact O-CB 3.33Å; V138-N144 PolarHBondContact O-ND2 2.71Å; D141-N144 PolarHBondContact O-N 3.13Å; D141-N144 PolarHBondContact OD2-ND2 3.43Å; N144-M147 CarbonylContact O-C 3.52Å; N144-M147 WeakPolarHBondContact O-CA 3.48Å; N144-M147 PolarHBondContact O-N 2.9Å; N144-M147 WeakPolarHBondContact OD1-CE 3.21Å; N144-A148 PolarHBondContact O-N 3.42Å |
| 145 | S | 89.3 | Confident | 92.4 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -46.6 | -48.9 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 114.7 | D141 M147 A148 | D141-S145 PolarHBondContact O-N 2.95Å; S145-M147 VanDerWaalsContact C-N 3.26Å; S145-M147 PolarHBondContact O-N 3.39Å; S145-A148 PolarHBondContact O-N 3.47Å |
| 146 | P | 91.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 91.5 Ų | 91.5 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -74.4 | -7.8 | 176 | 31 | -37.9 | 0 | 0 | 0 | 114.9 | S142 G143 Y149 | S142-P146 VanDerWaalsContact O-CD 3.24Å; S142-P146 WeakPolarHBondContact O-CD 3.3Å; G143-P146 WeakPolarHBondContact O-CD 3.39Å; P146-Y149 WeakPolarHBondContact O-CD1 3.28Å; P146-Y149 WeakPolarHBondContact O-CE1 3.2Å |
| 147 | M | 91.4 | Very high | 91.6 | Very high | 123 Ų | 123 | 88.5 Ų | 88.5 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -100.4 | -12.4 | 177.8 | -59.4 | -165.7 | -69.6 | 0 | 0 | 113 | N144 S145 Y149 | N144-M147 CarbonylContact O-C 3.52Å; N144-M147 WeakPolarHBondContact O-CA 3.48Å; N144-M147 PolarHBondContact O-N 2.9Å; N144-M147 WeakPolarHBondContact OD1-CE 3.21Å; S145-M147 VanDerWaalsContact C-N 3.26Å; S145-M147 PolarHBondContact O-N 3.39Å; M147-Y149 PolarHBondContact O-N 2.92Å |
| 148 | A | 92.6 | Very high | 91.4 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 74% | 0.736 | 51% | 0.513 | S | S | * | . | trans | -78.7 | 60.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | N144 S145 | N144-A148 PolarHBondContact O-N 3.42Å; S145-A148 PolarHBondContact O-N 3.47Å | ||
| 149 | Y | 92 | Very high | 91 | Very high | 159 Ų | 159 | 89.5 Ų | 89.5 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | trans | -137.2 | 163.5 | 177.3 | 69.5 | -90.7 | 0 | 0 | 0 | 112.5 | P146 M147 K151 | P146-Y149 WeakPolarHBondContact O-CD1 3.28Å; P146-Y149 WeakPolarHBondContact O-CE1 3.2Å; M147-Y149 PolarHBondContact O-N 2.92Å; Y149-K151 HydrophobicContact CE2-CG 4.2Å | ||
| 150 | V | 92.8 | Very high | 90.7 | Very high | 101 Ų | 101 | 93.4 Ų | 93.4 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | trans | -117.9 | 149.9 | 171.3 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | L155 | V150-L155 HydrophobicContact CG2-CD1 4.05Å; V150-L155 HydrophobicContact CG2-CD2 4.15Å; V150-L155 HydrophobicContact CG2-CG 4.11Å | ||
| 151 | K | 91.3 | Very high | 90.3 | Very high | 106 Ų | 106 | 91.8 Ų | 91.8 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | trans | -88.6 | 158 | 179.4 | -56.5 | 171.6 | -178 | 171.5 | 0 | 111.3 | Y149 E153 D154 L155 | Y149-K151 HydrophobicContact CE2-CG 4.2Å; K151-E153 PolarHBondContact O-N 3.44Å; K151-D154 WeakPolarHBondContact CA-OD2 3.15Å; K151-D154 WeakPolarHBondContact CB-OD2 3.29Å; K151-D154 WeakPolarHBondContact CG-OD2 3.38Å; K151-D154 PolarHBondContact N-OD2 2.94Å; K151-D154 PolarHBondContact O-N 2.95Å; K151-L155 PolarHBondContact O-N 3.43Å | ||
| 152 | H | 86.8 | Confident | 89.9 | Confident | 112 Ų | 112 | 93.1 Ų | 93.1 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.4 | -40.6 | 168.6 | 170.1 | 80.3 | 0 | 0 | 0 | 112 | D154 L155 C156 V206 | H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact O-N 3.01Å; H152-L155 PolarHBondContact O-N 3.44Å; H152-C156 PolarHBondContact CE1-SG 2.77Å; H152-C156 WeakPolarHBondContact O-CB 3.27Å; H152-C156 PolarHBondContact O-N 2.98Å; H152-V206 PolarHBondContact CE1-O 3.23Å; H152-V206 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V206 PolarHBondContact ND1-O 3.21Å |
| 153 | E | 88.8 | Confident | 89.7 | Confident | 146 Ų | 146 | 92.9 Ų | 92.9 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | 176.9 | -64.6 | 177.1 | 166.8 | 0 | 0 | 112.6 | K151 G157 | K151-E153 PolarHBondContact O-N 3.44Å; E153-G157 WeakPolarHBondContact O-CA 3.4Å; E153-G157 PolarHBondContact O-N 3.08Å |
| 154 | D | 91.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 92.5 Ų | 92.5 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 178.8 | -50 | -38.4 | 0 | 0 | 0 | 110.2 | K151 H152 G157 V158 | K151-D154 WeakPolarHBondContact CA-OD2 3.15Å; K151-D154 WeakPolarHBondContact CB-OD2 3.29Å; K151-D154 WeakPolarHBondContact CG-OD2 3.38Å; K151-D154 PolarHBondContact N-OD2 2.94Å; K151-D154 PolarHBondContact O-N 2.95Å; H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact O-N 3.01Å; D154-G157 PolarHBondContact O-N 3.24Å; D154-V158 PolarHBondContact O-N 3.38Å |
| 155 | L | 89.6 | Confident | 89.6 | Confident | 52 Ų | 52 | 95.4 Ų | 95.4 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | -179.7 | -68.1 | 174.4 | 0 | 0 | 0 | 112.5 | V150 K151 H152 G157 V158 F159 L164 V206 | V150-L155 HydrophobicContact CG2-CD1 4.05Å; V150-L155 HydrophobicContact CG2-CD2 4.15Å; V150-L155 HydrophobicContact CG2-CG 4.11Å; K151-L155 PolarHBondContact O-N 3.43Å; H152-L155 PolarHBondContact O-N 3.44Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; L155-V158 PolarHBondContact O-N 3.3Å; L155-F159 PolarHBondContact O-N 3.24Å; L155-L164 HydrophobicContact CB-CD1 4.19Å; L155-V206 HydrophobicContact CB-CG1 4.3Å; L155-V206 HydrophobicContact CD1-CG1 4Å; L155-V206 HydrophobicContact CD1-CG2 4.32Å |
| 156 | C | 87.8 | Confident | 89.7 | Confident | 32 Ų | 32 | 93.2 Ų | 93.2 | 22% | 0.216 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -72.6 | -19.1 | 176.6 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | H152 K160 | H152-C156 PolarHBondContact CE1-SG 2.77Å; H152-C156 WeakPolarHBondContact O-CB 3.27Å; H152-C156 PolarHBondContact O-N 2.98Å; C156-K160 WeakPolarHBondContact O-CG 3.32Å |
| 157 | G | 88.4 | Confident | 89.9 | Confident | 41 Ų | 41 | 92.4 Ų | 92.4 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E153 D154 L155 K160 | E153-G157 WeakPolarHBondContact O-CA 3.4Å; E153-G157 PolarHBondContact O-N 3.08Å; D154-G157 PolarHBondContact O-N 3.24Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; G157-K160 WeakPolarHBondContact O-CE 3.5Å |
| 158 | V | 91.9 | Very high | 90 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 64% | 0.642 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -84.2 | -52.1 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | D154 L155 | D154-V158 PolarHBondContact O-N 3.38Å; L155-V158 PolarHBondContact O-N 3.3Å |
| 159 | F | 87.6 | Confident | 90.1 | Very high | 102 Ų | 102 | 93 Ų | 93 | 45% | 0.447 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -105.8 | 92.9 | -173.6 | -55.8 | -80.3 | 0 | 0 | 0 | 111.1 | L155 L164 | L155-F159 PolarHBondContact O-N 3.24Å; F159-L164 HydrophobicContact CB-CD1 4.13Å; F159-L164 HydrophobicContact CB-CD2 3.75Å; F159-L164 HydrophobicContact CB-CG 4.24Å; F159-L164 HydrophobicContact CD2-CD1 4.47Å; F159-L164 HydrophobicContact CD2-CD2 3.93Å; F159-L164 HydrophobicContact CG-CD2 3.9Å |
| 160 | K | 86.3 | Confident | 90.3 | Very high | 170 Ų | 170 | 87.1 Ų | 87.1 | 74% | 0.739 | 48% | 0.477 | S | S | * | . | trans | -94.7 | 108.9 | -171.5 | -67.7 | 177.7 | -173.6 | 170.5 | 0 | 111.9 | C156 G157 | C156-K160 WeakPolarHBondContact O-CG 3.32Å; G157-K160 WeakPolarHBondContact O-CE 3.5Å | ||
| 161 | G | 83.3 | Confident | 90.3 | Very high | 71 Ų | 71 | 90.1 Ų | 90.1 | 73% | 0.732 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 96.7 | -8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 162 | D | 87.2 | Confident | 90.4 | Very high | 94 Ų | 94 | 88.2 Ų | 88.2 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -83 | 147.8 | 176.8 | -61.5 | -51.6 | 0 | 0 | 0 | 112.3 | L164 N207 | D162-L164 PolarHBondContact O-N 3.02Å; D162-N207 WeakPolarHBondContact O-CB 3.31Å; D162-N207 PolarHBondContact O-ND2 3.33Å |
| 163 | T | 88.8 | Confident | 90.8 | Very high | 99 Ų | 99 | 84.4 Ų | 84.4 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | trans | -78 | 107.3 | 171.3 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | L205 | T163-L205 HydrophobicContact CG2-CD1 3.72Š| ||
| 164 | L | 91.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 81.9 Ų | 81.9 | 15% | 0.147 | 47% | 0.471 | C | S | . | . | trans | -92.5 | 128.4 | -175.2 | -71.1 | 177.2 | 0 | 0 | 0 | 113.2 | L155 F159 D162 V206 N207 | L155-L164 HydrophobicContact CB-CD1 4.19Å; F159-L164 HydrophobicContact CB-CD1 4.13Å; F159-L164 HydrophobicContact CB-CD2 3.75Å; F159-L164 HydrophobicContact CB-CG 4.24Å; F159-L164 HydrophobicContact CD2-CD1 4.47Å; F159-L164 HydrophobicContact CD2-CD2 3.93Å; F159-L164 HydrophobicContact CG-CD2 3.9Å; D162-L164 PolarHBondContact O-N 3.02Å; L164-V206 HydrophobicContact CB-CB 3.83Å; L164-V206 HydrophobicContact CD1-CB 4.47Å; L164-V206 HydrophobicContact CD1-CG1 4.32Å; L164-V206 PolarHBondContact O-N 3.17Å; L164-N207 HydrophobicContact CB-CB 4.3Å; L164-N207 HydrophobicContact CG-CB 4.49Å | ||
| 165 | L | 91.4 | Very high | 91.3 | Very high | 111 Ų | 111 | 83 Ų | 83 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.8 | 170.7 | -62.8 | 176.4 | 0 | 0 | 0 | 110.1 | V203 L204 L205 | L165-V203 HydrophobicContact CB-CG1 4.43Å; L165-V203 HydrophobicContact CD2-CG1 4.4Å; L165-L204 WeakPolarHBondContact CA-O 3.48Å; L165-L205 HydrophobicContact CD2-CB 4.34Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å |
| 166 | A | 92.5 | Very high | 91.6 | Very high | 40 Ų | 40 | 84.5 Ų | 84.5 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | V203 L204 V206 | A166-V203 WeakPolarHBondContact O-CA 3.43Å; A166-L204 HydrophobicContact CB-CB 4.38Å; A166-L204 PolarHBondContact N-O 3.37Å; A166-L204 PolarHBondContact O-N 3.14Å; A166-V206 HydrophobicContact CB-CG2 3.88Å |
| 167 | I | 94.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 87.5 Ų | 87.5 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.5 | -177.8 | -60.8 | 158.7 | 0 | 0 | 0 | 108.6 | L194 I201 V203 | I167-L194 HydrophobicContact CD1-CD1 4.03Å; I167-L194 HydrophobicContact CG1-CD1 4.36Å; I167-L194 HydrophobicContact CG2-CD1 3.94Å; I167-I201 HydrophobicContact CG2-CG2 3.98Å; I167-V203 HydrophobicContact CG1-CG1 4.2Å; I167-V203 HydrophobicContact CG1-CG2 4.26Å; I167-V203 HydrophobicContact CG2-CG2 4.5Å |
| 168 | R | 93.9 | Very high | 91.9 | Very high | 180 Ų | 180 | 88.7 Ų | 88.7 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.5 | 174.3 | 173.1 | 173.3 | 174 | -127 | 6.3 | 108.7 | E202 | R168-E202 HydrophobicContact CB-CB 4.25Å; R168-E202 WeakPolarHBondContact CD-OE2 3.38Å; R168-E202 IonicContact CZ-OE2 3.66Å; R168-E202 PolarHBondContact N-O 3.38Å; R168-E202 IonicContact NE-OE2 3.91Å; R168-E202 IonicContact NH1-OE2 2.69Å; R168-E202 PolarHBondContact NH1-OE2 2.98Å; R168-E202 PolarHBondContact O-N 3.22Å |
| 169 | A | 95.2 | Very high | 91.7 | Very high | 43 Ų | 43 | 90 Ų | 90 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | trans | -135.9 | 154.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T173 I201 | A169-T173 HydrophobicContact CB-CG2 3.84Å; A169-I201 HydrophobicContact CB-CG1 4.15Å; A169-I201 HydrophobicContact CB-CG2 4.08Å | ||
| 170 | P | 96 | Very high | 91.5 | Very high | 37 Ų | 37 | 86.9 Ų | 86.9 | 24% | 0.24 | 50% | 0.498 | C | S | . | . | trans | -60.6 | 155.1 | 170.9 | -22.7 | 33.5 | 0 | 0 | 0 | 112.4 | T173 P200 | P170-T173 VanDerWaalsContact O-CB 3.3Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 3.46Å; P170-T173 PolarHBondContact O-OG1 3.07Å; P170-P200 WeakPolarHBondContact CD-O 3.47Å | ||
| 171 | I | 93.1 | Very high | 91 | Very high | 163 Ų | 163 | 86.5 Ų | 86.5 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 146.3 | 172.5 | 67.7 | 172.8 | 0 | 0 | 0 | 110.8 | T173 | I171-T173 PolarHBondContact O-N 3.38Š|
| 172 | G | 92.7 | Very high | 90.3 | Very high | 67 Ų | 67 | 89.2 Ų | 89.2 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 4.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q174 | G172-Q174 PolarHBondContact O-N 3.44Š|
| 173 | T | 95.6 | Very high | 89.6 | Confident | 31 Ų | 31 | 88.2 Ų | 88.2 | 19% | 0.19 | 49% | 0.493 | C | S | . | . | trans | -62.2 | 125.3 | 169.4 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | A169 P170 I171 S196 I201 | A169-T173 HydrophobicContact CB-CG2 3.84Å; P170-T173 VanDerWaalsContact O-CB 3.3Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 3.46Å; P170-T173 PolarHBondContact O-OG1 3.07Å; I171-T173 PolarHBondContact O-N 3.38Å; T173-S196 WeakPolarHBondContact OG1-CB 3.13Å; T173-S196 PolarHBondContact OG1-OG 2.89Å; T173-S196 VanDerWaalsContact OG1-OG 3.05Å; T173-I201 HydrophobicContact CG2-CD1 3.64Å; T173-I201 HydrophobicContact CG2-CG1 4.38Å | ||
| 174 | Q | 95.4 | Very high | 88.3 | Confident | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.3 | 177.9 | -63.2 | 176 | -33.7 | 0 | 0 | 109.6 | G172 L194 K195 | G172-Q174 PolarHBondContact O-N 3.44Å; Q174-L194 WeakPolarHBondContact O-CA 3.17Å; Q174-K195 HydrophobicContact CB-CB 4.36Å; Q174-K195 PolarHBondContact N-O 3.08Å; Q174-K195 PolarHBondContact O-N 3.19Å |
| 175 | L | 95.3 | Very high | 87.1 | Confident | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109.8 | 173.1 | -172.1 | 162.1 | 0 | 0 | 0 | 108 | V177 I192 R193 L194 | L175-V177 HydrophobicContact CD2-CG2 3.63Å; L175-I192 HydrophobicContact CD2-CG2 4.29Å; L175-I192 HydrophobicContact CG-CG2 4.27Å; L175-R193 WeakPolarHBondContact CA-O 3.47Å; L175-L194 HydrophobicContact CB-CD2 3.97Å; L175-L194 HydrophobicContact CD1-CD2 3.82Å; L175-L194 HydrophobicContact CG-CD2 3.66Å |
| 176 | E | 94.6 | Very high | 86 | Confident | 83 Ų | 83 | 95 Ų | 95 | 39% | 0.388 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.6 | 178.4 | -68.4 | 171.2 | -170.9 | 0 | 0 | 109.3 | R193 | E176-R193 HydrophobicContact CB-CB 4.21Å; E176-R193 PolarHBondContact N-O 2.97Å; E176-R193 PolarHBondContact O-N 3.06Å; E176-R193 WeakPolarHBondContact OE2-CD 3.24Å; E176-R193 IonicContact OE2-NH1 3.66Å; E176-R193 PolarHBondContact OE2-NH1 3.11Å |
| 177 | V | 94.3 | Very high | 85 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 58% | 0.582 | 56% | 0.558 | S | S | * | * | trans | -119.3 | 97.7 | 169.9 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | L175 I192 | L175-V177 HydrophobicContact CD2-CG2 3.63Å; V177-I192 HydrophobicContact CG2-CG1 4.41Å | ||
| 178 | P | 89.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 104.2 Ų | 104.2 | 43% | 0.429 | 57% | 0.567 | S | S | . | * | trans | -60.6 | 143.1 | 174.7 | -24 | 35.4 | 0 | 0 | 0 | 111.5 | Q191 | P178-Q191 WeakPolarHBondContact CD-O 3.43Š| ||
| 179 | V | 86.9 | Confident | 83.7 | Confident | 133 Ų | 133 | 102.7 Ų | 102.7 | 81% | 0.806 | 57% | 0.566 | S | S | * | * | trans | -62 | 128.7 | 172.6 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | E181 | V179-E181 PolarHBondContact O-N 3Å; V179-E181 VanDerWaalsContact O-N 3.08Å | ||
| 180 | P | 83.8 | Confident | 83.4 | Confident | 36 Ų | 36 | 108.6 Ų | 108.6 | 23% | 0.234 | 58% | 0.58 | C | S | . | * | trans | -73.2 | 104.5 | -174.1 | 29.8 | -37 | 0 | 0 | 0 | 111.3 | R188 K189 Y190 | P180-R188 HydrophobicContact CB-CB 4.27Å; P180-R188 HydrophobicContact CB-CG 4.49Å; P180-K189 WeakPolarHBondContact CB-O 3.45Å; P180-Y190 HydrophobicContact CB-CD1 4.1Å; P180-Y190 HydrophobicContact CB-CE1 4.11Å; P180-Y190 HydrophobicContact CB-CG 4.49Å; P180-Y190 HydrophobicContact CG-CD1 3.98Å; P180-Y190 HydrophobicContact CG-CE1 3.64Å | ||
| 181 | E | 75.4 | Confident | 83 | Confident | 163 Ų | 163 | 111.1 Ų | 111.1 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | trans | -56.1 | 141.4 | 174 | -66.9 | 177.3 | 179.1 | 0 | 0 | 111.7 | V179 V183 | V179-E181 PolarHBondContact O-N 3Å; V179-E181 VanDerWaalsContact O-N 3.08Å; E181-V183 PolarHBondContact O-N 3.04Å | ||
| 182 | L | 68.5 | Low | 83.1 | Confident | 127 Ų | 127 | 108.6 Ų | 108.6 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | B | Isolated β-bridge | trans | -75.6 | 92.9 | 167.7 | -100.5 | 71.4 | 0 | 0 | 0 | 108.8 | R188 | L182-R188 HydrophobicContact CD1-CG 3.79Å; L182-R188 HydrophobicContact CG-CG 4.49Å |
| 183 | V | 72.9 | Confident | 83.1 | Confident | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | trans | -55.6 | 140.6 | 166.3 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | E181 N185 G186 | E181-V183 PolarHBondContact O-N 3.04Å; V183-N185 PolarHBondContact O-N 3.41Å; V183-G186 PolarHBondContact O-N 3.36Å | ||
| 184 | L | 62.2 | Low | 83.1 | Confident | 178 Ų | 178 | 112.9 Ų | 112.9 | 93% | 0.932 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -18.4 | -177.9 | -69 | 165.9 | 0 | 0 | 0 | 114.9 | G186 | L184-G186 VanDerWaalsContact C-N 3.34Š|
| 185 | N | 65.6 | Low | 83 | Confident | 143 Ų | 143 | 113.8 Ų | 113.8 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 10 | 177.2 | -59.2 | -1 | 0 | 0 | 0 | 113.5 | V183 Q187 | V183-N185 PolarHBondContact O-N 3.41Å; N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.38Å |
| 186 | G | 68.8 | Low | 83 | Confident | 59 Ų | 59 | 110.1 Ų | 110.1 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 76.6 | -3.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V183 L184 | V183-G186 PolarHBondContact O-N 3.36Å; L184-G186 VanDerWaalsContact C-N 3.34Å |
| 187 | Q | 71 | Confident | 82.9 | Confident | 156 Ų | 156 | 112.2 Ų | 112.2 | 73% | 0.729 | 58% | 0.575 | S | S | * | * | trans | -90.1 | 120.4 | 178.4 | -66.2 | -159.5 | -17.2 | 0 | 0 | 111.8 | N185 K189 | N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.38Å; Q187-K189 PolarHBondContact O-N 3.15Å | ||
| 188 | R | 78.9 | Confident | 82.8 | Confident | 153 Ų | 153 | 111.8 Ų | 111.8 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | B | Isolated β-bridge | trans | -77.3 | 115.7 | 170.8 | -82.3 | 178.3 | -86.1 | -136.8 | -2.4 | 109.8 | P180 L182 Y190 | P180-R188 HydrophobicContact CB-CB 4.27Å; P180-R188 HydrophobicContact CB-CG 4.49Å; L182-R188 HydrophobicContact CD1-CG 3.79Å; L182-R188 HydrophobicContact CG-CG 4.49Å; R188-Y190 HydrophobicContact CB-CE2 3.92Å |
| 189 | K | 82.3 | Confident | 83 | Confident | 149 Ų | 149 | 110.2 Ų | 110.2 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | trans | -92 | 114.2 | 174.2 | -176.1 | -173.9 | 175.6 | -168.7 | 0 | 109.7 | P180 Q187 | P180-K189 WeakPolarHBondContact CB-O 3.45Å; Q187-K189 PolarHBondContact O-N 3.15Å | ||
| 190 | Y | 87.6 | Confident | 83.3 | Confident | 166 Ų | 166 | 109.7 Ų | 109.7 | 65% | 0.651 | 57% | 0.572 | S | S | * | * | trans | -87.2 | 143.7 | 172 | -59.3 | -93.2 | 0 | 0 | 0 | 109.9 | P180 R188 | P180-Y190 HydrophobicContact CB-CD1 4.1Å; P180-Y190 HydrophobicContact CB-CE1 4.11Å; P180-Y190 HydrophobicContact CB-CG 4.49Å; P180-Y190 HydrophobicContact CG-CD1 3.98Å; P180-Y190 HydrophobicContact CG-CE1 3.64Å; R188-Y190 HydrophobicContact CB-CE2 3.92Å | ||
| 191 | Q | 89.4 | Confident | 83.9 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 43% | 0.425 | 57% | 0.574 | S | S | . | * | trans | -142.2 | 140.9 | 175.5 | -178.7 | 163.8 | -10.7 | 0 | 0 | 109.8 | P178 | P178-Q191 WeakPolarHBondContact CD-O 3.43Š| ||
| 192 | I | 93.6 | Very high | 84.8 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | trans | -115.3 | 133.5 | 167 | -55.6 | 175.3 | 0 | 0 | 0 | 106.2 | L175 V177 L194 | L175-I192 HydrophobicContact CD2-CG2 4.29Å; L175-I192 HydrophobicContact CG-CG2 4.27Å; V177-I192 HydrophobicContact CG2-CG1 4.41Å; I192-L194 HydrophobicContact CG2-CD2 4.4Å; I192-L194 HydrophobicContact CG2-CG 4.36Å | ||
| 193 | R | 93.1 | Very high | 86 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 50% | 0.498 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.7 | 174.9 | 173 | -173.3 | -79 | 177.6 | -1.4 | 108.5 | L175 E176 | L175-R193 WeakPolarHBondContact CA-O 3.47Å; E176-R193 HydrophobicContact CB-CB 4.21Å; E176-R193 PolarHBondContact N-O 2.97Å; E176-R193 PolarHBondContact O-N 3.06Å; E176-R193 WeakPolarHBondContact OE2-CD 3.24Å; E176-R193 IonicContact OE2-NH1 3.66Å; E176-R193 PolarHBondContact OE2-NH1 3.11Å |
| 194 | L | 94.9 | Very high | 86.9 | Confident | 56 Ų | 56 | 105.1 Ų | 105.1 | 29% | 0.293 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.8 | 179.6 | -63.1 | 168.3 | 0 | 0 | 0 | 108.6 | I167 Q174 L175 I192 I201 | I167-L194 HydrophobicContact CD1-CD1 4.03Å; I167-L194 HydrophobicContact CG1-CD1 4.36Å; I167-L194 HydrophobicContact CG2-CD1 3.94Å; Q174-L194 WeakPolarHBondContact O-CA 3.17Å; L175-L194 HydrophobicContact CB-CD2 3.97Å; L175-L194 HydrophobicContact CD1-CD2 3.82Å; L175-L194 HydrophobicContact CG-CD2 3.66Å; I192-L194 HydrophobicContact CG2-CD2 4.4Å; I192-L194 HydrophobicContact CG2-CG 4.36Å; L194-I201 HydrophobicContact CB-CD1 3.76Å; L194-I201 HydrophobicContact CD1-CG2 4.41Å |
| 195 | K | 94.3 | Very high | 88.2 | Confident | 113 Ų | 113 | 101 Ų | 101 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 110.8 | -179.1 | 177.9 | -176.4 | 166 | -150.7 | 0 | 110.1 | Q174 | Q174-K195 HydrophobicContact CB-CB 4.36Å; Q174-K195 PolarHBondContact N-O 3.08Å; Q174-K195 PolarHBondContact O-N 3.19Å |
| 196 | S | 94.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 95.5 Ų | 95.5 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | trans | -104.7 | 141.7 | 173.5 | -165.7 | 0 | 0 | 0 | 0 | 110.4 | T173 S198 G199 | T173-S196 WeakPolarHBondContact OG1-CB 3.13Å; T173-S196 PolarHBondContact OG1-OG 2.89Å; T173-S196 VanDerWaalsContact OG1-OG 3.05Å; S196-S198 PolarHBondContact OG-N 3.23Å; S196-G199 VanDerWaalsContact CB-O 3.26Å; S196-G199 WeakPolarHBondContact CB-O 3.33Å; S196-G199 PolarHBondContact OG-O 2.78Å | ||
| 197 | T | 92.5 | Very high | 89.4 | Confident | 126 Ų | 126 | 94.4 Ų | 94.4 | 77% | 0.773 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -104.1 | -15.3 | 170.1 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||
| 198 | S | 92.7 | Very high | 89 | Confident | 88 Ų | 88 | 92 Ų | 92 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -103.4 | -7.3 | -170.4 | -172.7 | 0 | 0 | 0 | 0 | 114.4 | S196 | S196-S198 PolarHBondContact OG-N 3.23Š|
| 199 | G | 92.8 | Very high | 87.9 | Confident | 32 Ų | 32 | 88.7 Ų | 88.7 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 166.5 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S196 | S196-G199 VanDerWaalsContact CB-O 3.26Å; S196-G199 WeakPolarHBondContact CB-O 3.33Å; S196-G199 PolarHBondContact OG-O 2.78Å |
| 200 | P | 95.1 | Very high | 86.6 | Confident | 123 Ų | 123 | 88.2 Ų | 88.2 | 80% | 0.799 | 47% | 0.471 | S | S | * | . | trans | -68.4 | 155.7 | 177.9 | 30.3 | -35.8 | 0 | 0 | 0 | 112.1 | P170 | P170-P200 WeakPolarHBondContact CD-O 3.47Š| ||
| 201 | I | 95.5 | Very high | 85 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | trans | -107.7 | 129.4 | 173.6 | -55.8 | 178.7 | 0 | 0 | 0 | 108.3 | I167 A169 T173 L194 V203 | I167-I201 HydrophobicContact CG2-CG2 3.98Å; A169-I201 HydrophobicContact CB-CG1 4.15Å; A169-I201 HydrophobicContact CB-CG2 4.08Å; T173-I201 HydrophobicContact CG2-CD1 3.64Å; T173-I201 HydrophobicContact CG2-CG1 4.38Å; L194-I201 HydrophobicContact CB-CD1 3.76Å; L194-I201 HydrophobicContact CD1-CG2 4.41Å; I201-V203 HydrophobicContact CG2-CG2 4.15Å | ||
| 202 | E | 94.4 | Very high | 83 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.3 | 176.1 | 177.9 | 175.1 | -151.5 | 0 | 0 | 109.4 | R168 L204 | R168-E202 HydrophobicContact CB-CB 4.25Å; R168-E202 WeakPolarHBondContact CD-OE2 3.38Å; R168-E202 IonicContact CZ-OE2 3.66Å; R168-E202 PolarHBondContact N-O 3.38Å; R168-E202 IonicContact NE-OE2 3.91Å; R168-E202 IonicContact NH1-OE2 2.69Å; R168-E202 PolarHBondContact NH1-OE2 2.98Å; R168-E202 PolarHBondContact O-N 3.22Å; E202-L204 HydrophobicContact CG-CD2 4.3Å; E202-L204 HydrophobicContact CG-CG 4.38Å |
| 203 | V | 94.1 | Very high | 80.5 | Confident | 75 Ų | 75 | 83.9 Ų | 83.9 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 123.3 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | L165 A166 I167 I201 | L165-V203 HydrophobicContact CB-CG1 4.43Å; L165-V203 HydrophobicContact CD2-CG1 4.4Å; A166-V203 WeakPolarHBondContact O-CA 3.43Å; I167-V203 HydrophobicContact CG1-CG1 4.2Å; I167-V203 HydrophobicContact CG1-CG2 4.26Å; I167-V203 HydrophobicContact CG2-CG2 4.5Å; I201-V203 HydrophobicContact CG2-CG2 4.15Å |
| 204 | L | 90.5 | Very high | 77.7 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.4 | -175.8 | -57.3 | 173.3 | 0 | 0 | 0 | 110 | L165 A166 E202 V206 | L165-L204 WeakPolarHBondContact CA-O 3.48Å; A166-L204 HydrophobicContact CB-CB 4.38Å; A166-L204 PolarHBondContact N-O 3.37Å; A166-L204 PolarHBondContact O-N 3.14Å; E202-L204 HydrophobicContact CG-CD2 4.3Å; E202-L204 HydrophobicContact CG-CG 4.38Å; L204-V206 PolarHBondContact O-N 3.02Å |
| 205 | L | 90.4 | Very high | 75.2 | Confident | 91 Ų | 91 | 84 Ų | 84 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 109.8 | 169.4 | 178.8 | 66.6 | 0 | 0 | 0 | 108.8 | T163 L165 N207 K208 | T163-L205 HydrophobicContact CG2-CD1 3.72Å; L165-L205 HydrophobicContact CD2-CB 4.34Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å; L205-N207 WeakPolarHBondContact CD1-O 3.46Å; L205-K208 HydrophobicContact CD2-CB 3.91Å; L205-K208 HydrophobicContact CD2-CG 3.98Å; L205-K208 HydrophobicContact CG-CB 4.34Å |
| 206 | V | 85.2 | Confident | 73 | Confident | 28 Ų | 28 | 84.4 Ų | 84.4 | 17% | 0.17 | 53% | 0.529 | C | S | . | . | trans | -88.5 | -44.3 | -173.6 | -179 | 0 | 0 | 0 | 0 | 111.5 | H152 L155 L164 A166 L204 | H152-V206 PolarHBondContact CE1-O 3.23Å; H152-V206 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V206 PolarHBondContact ND1-O 3.21Å; L155-V206 HydrophobicContact CB-CG1 4.3Å; L155-V206 HydrophobicContact CD1-CG1 4Å; L155-V206 HydrophobicContact CD1-CG2 4.32Å; L164-V206 HydrophobicContact CB-CB 3.83Å; L164-V206 HydrophobicContact CD1-CB 4.47Å; L164-V206 HydrophobicContact CD1-CG1 4.32Å; L164-V206 PolarHBondContact O-N 3.17Å; A166-V206 HydrophobicContact CB-CG2 3.88Å; L204-V206 PolarHBondContact O-N 3.02Å | ||
| 207 | N | 74.7 | Confident | 70.6 | Confident | 36 Ų | 36 | 89.2 Ų | 89.2 | 19% | 0.193 | 56% | 0.557 | C | S | . | * | trans | -103.4 | 109.2 | 173.7 | -173.5 | 17.9 | 0 | 0 | 0 | 109.5 | D162 L164 L205 | D162-N207 WeakPolarHBondContact O-CB 3.31Å; D162-N207 PolarHBondContact O-ND2 3.33Å; L164-N207 HydrophobicContact CB-CB 4.3Å; L164-N207 HydrophobicContact CG-CB 4.49Å; L205-N207 WeakPolarHBondContact CD1-O 3.46Å | ||
| 208 | K | 61.9 | Low | 68.3 | Low | 105 Ų | 105 | 88.9 Ų | 88.9 | 46% | 0.457 | 55% | 0.55 | S | S | . | * | trans | -115.1 | 114.9 | 174.1 | -173.6 | -166.5 | 175.9 | -170.2 | 0 | 109.5 | L205 S212 | L205-K208 HydrophobicContact CD2-CB 3.91Å; L205-K208 HydrophobicContact CD2-CG 3.98Å; L205-K208 HydrophobicContact CG-CB 4.34Å; K208-S212 PolarHBondContact NZ-O 2.82Å | ||
| 209 | D | 56.8 | Low | 66.1 | Low | 85 Ų | 85 | 89.5 Ų | 89.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | trans | -57 | 127.5 | 171.4 | -67.9 | -72.1 | 0 | 0 | 0 | 111.6 | S211 S212 | D209-S211 PolarHBondContact O-N 3.46Å; D209-S212 PolarHBondContact O-N 2.93Å | ||
| 210 | P | 53.5 | Low | 64.1 | Low | 139 Ų | 139 | 94.5 Ų | 94.5 | 90% | 0.903 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -0.6 | -177.6 | 29 | -35.5 | 0 | 0 | 0 | 114.1 | ||
| 211 | S | 55.3 | Low | 61.7 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 79% | 0.79 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -16.1 | 174.2 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | D209 | D209-S211 PolarHBondContact O-N 3.46Š|
| 212 | S | 46.8 | Very low | 59.3 | Low | 79 Ų | 79 | 95.1 Ų | 95.1 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -85.1 | 132.7 | -177.6 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | K208 D209 | K208-S212 PolarHBondContact NZ-O 2.82Å; D209-S212 PolarHBondContact O-N 2.93Å |
| 213 | A | 40.3 | Very low | 57.4 | Low | 82 Ų | 82 | 95.8 Ų | 95.8 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | trans | -61.4 | 175 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 214 | A | 36.3 | Very low | 55.4 | Low | 82 Ų | 82 | 98.5 Ų | 98.5 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | trans | -58.6 | 140 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V216 | A214-V216 PolarHBondContact O-N 3.45Š| ||
| 215 | P | 42 | Very low | 53.7 | Low | 109 Ų | 109 | 101 Ų | 101 | 71% | 0.708 | 62% | 0.621 | S | S | * | * | trans | -66.7 | 120.1 | -177.6 | 27.7 | -34.2 | 0 | 0 | 0 | 110.8 | V217 | P215-V217 PolarHBondContact O-N 3.43Š| ||
| 216 | V | 47.5 | Very low | 51.8 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -79.3 | 106.4 | 172.8 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | A214 L218 | A214-V216 PolarHBondContact O-N 3.45Å; V216-L218 HydrophobicContact CG1-CD2 4.03Å; V216-L218 HydrophobicContact CG1-CG 3.96Å; V216-L218 PolarHBondContact O-N 3.27Å; V216-L218 VanDerWaalsContact O-N 3.11Å | ||
| 217 | V | 45.2 | Very low | 49.9 | Very low | 131 Ų | 131 | 107.4 Ų | 107.4 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | trans | -77.3 | 94.9 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | P215 | P215-V217 PolarHBondContact O-N 3.43Š| ||
| 218 | L | 43.8 | Very low | 48.6 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 119.1 | 167.3 | -66.7 | 179.8 | 0 | 0 | 0 | 109.6 | V216 | V216-L218 HydrophobicContact CG1-CD2 4.03Å; V216-L218 HydrophobicContact CG1-CG 3.96Å; V216-L218 PolarHBondContact O-N 3.27Å; V216-L218 VanDerWaalsContact O-N 3.11Å |
| 219 | P | 47.3 | Very low | 47.7 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 138.1 | 160 | -19.1 | 32.6 | 0 | 0 | 0 | 109.6 | P221 | P219-P221 CarbonylContact O-C 3.51Å; P219-P221 VanDerWaalsContact O-C 3.32Å |
| 220 | V | 48.9 | Very low | 46.7 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -93.2 | 126.3 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | ||
| 221 | P | 44.5 | Very low | 45.8 | Very low | 114 Ų | 114 | 119 Ų | 119 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | S | Bend | cis | -86.2 | 148.3 | 5 | -6.1 | 25.8 | 0 | 0 | 0 | 114.1 | P219 | P219-P221 CarbonylContact O-C 3.51Å; P219-P221 VanDerWaalsContact O-C 3.32Å |
| 222 | P | 46 | Very low | 44.7 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -79.1 | 151.6 | 171.1 | 33.8 | -35 | 0 | 0 | 0 | 112.4 | ||
| 223 | P | 54 | Low | 44.2 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 156 | 173.8 | 33.3 | -35.3 | 0 | 0 | 0 | 113.2 | D225 | P223-D225 VanDerWaalsContact C-N 3.35Å; P223-D225 PolarHBondContact O-N 3.42Å |
| 224 | D | 53.5 | Low | 43.7 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -68.9 | -17.6 | -167.3 | -60.5 | -82.6 | 0 | 0 | 0 | 116.7 | V226 L227 | D224-V226 PolarHBondContact O-N 2.87Å; D224-L227 PolarHBondContact O-N 3.45Å |
| 225 | D | 53.1 | Low | 43.5 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -62 | -16.8 | -171.3 | -73.9 | -55.7 | 0 | 0 | 0 | 115.1 | P223 | P223-D225 VanDerWaalsContact C-N 3.35Å; P223-D225 PolarHBondContact O-N 3.42Å |
| 226 | V | 50.8 | Low | 42.9 | Very low | 114 Ų | 114 | 124 Ų | 124 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -82.5 | -8.9 | -179.5 | -72.3 | 0 | 0 | 0 | 0 | 114.7 | D224 H228 | D224-V226 PolarHBondContact O-N 2.87Å; V226-H228 PolarHBondContact O-N 3.3Å |
| 227 | L | 46.6 | Very low | 42.1 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -77.9 | -12.9 | -175.6 | -68.2 | 176.6 | 0 | 0 | 0 | 115.1 | D224 | D224-L227 PolarHBondContact O-N 3.45Š|
| 228 | H | 46 | Very low | 41.2 | Very low | 168 Ų | 168 | 127 Ų | 127 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -102.9 | -6.2 | -166.7 | -80.8 | 93.4 | 0 | 0 | 0 | 116.8 | V226 | V226-H228 PolarHBondContact O-N 3.3Š|
| 229 | N | 43.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -121.3 | 75.2 | -173.6 | -86.5 | -33.4 | 0 | 0 | 0 | 113.8 | ||||
| 230 | L | 36 | Very low | 40.4 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -136.2 | 110.1 | 168.6 | -91.9 | 159.8 | 0 | 0 | 0 | 110.4 | ||||
| 231 | P | 35.3 | Very low | 39.2 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 138.2 | 174.5 | -18.3 | 32.2 | 0 | 0 | 0 | 112.2 | ||
| 232 | A | 32.2 | Very low | 38.4 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 150.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 233 | P | 35.8 | Very low | 38.6 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 141.8 | -178 | 32.6 | -35 | 0 | 0 | 0 | 113.1 | ||
| 234 | T | 29.4 | Very low | 37.4 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -122 | 137.7 | 169.9 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 235 | A | 32 | Very low | 36.1 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -102.3 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 236 | T | 29.2 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 114 | 96.1 | 153.8 | -43.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 237 | Q | 30.9 | Very low | 33.5 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 41.8 | 132.2 | 134.3 | -49.8 | 175.2 | 30.9 | 0 | 0 | 122 | ||||
| 238 | T | 27 | Very low | 33.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | -173.1 | 158.6 | 114.8 | 20 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 239 | T | 27.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -152.6 | -176.8 | 177.4 | 61.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 240 | P | 46.3 | Very low | 32 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | cis | -128.4 | -178.6 | -25.3 | 36.8 | -21.1 | 0 | 0 | 0 | 112.8 | ||||
| 241 | Q | 25.1 | Very low | 31.6 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -157.9 | 149.1 | 149.8 | -124 | 178.9 | 47.6 | 0 | 0 | 114.8 | ||||
| 242 | A | 26.5 | Very low | 31.4 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -169.8 | -173.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 243 | P | 50.8 | Low | 31.2 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -125.5 | 176.5 | -30.7 | 39.7 | -26.5 | 0 | 0 | 0 | 112.7 | ||||
| 244 | K | 28 | Very low | 31.5 | Very low | 217 Ų | 217 | 141.8 Ų | 141.8 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -146.6 | 171.2 | 154.8 | -75.9 | -155.3 | 176.6 | 179.3 | 0 | 112.6 | ||||
| 245 | L | 26.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -145.7 | 153.5 | -146.6 | -171.5 | 75.8 | 0 | 0 | 0 | 115.6 | ||||
| 246 | C | 24.4 | Very low | 31.3 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 58% | 0.581 | 81% | 0.81 | S | S | * | * | trans | 88.4 | 111 | 150.2 | -98.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 247 | K | 26.4 | Very low | 31.3 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | 66.2 | 169 | 125.4 | -67.6 | -179.7 | -175.5 | 177.7 | 0 | 120 | |||||
| 248 | P | 36.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | cis | -127.8 | -175.4 | -3.4 | 38 | -19.4 | 0 | 0 | 0 | 116.4 | ||||
| 249 | H | 29 | Very low | 32 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -80.6 | 168.5 | 169.3 | -87.4 | -79.2 | 0 | 0 | 0 | 113.8 | ||||
| 250 | P | 39 | Very low | 32 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -130.7 | -171.5 | 103.4 | 38.5 | -30.5 | 0 | 0 | 0 | 114.2 | |||||
| 251 | A | 27 | Very low | 31.2 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -147.7 | 161.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 252 | I | 30.4 | Very low | 31.3 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -138.1 | 153.1 | 169.6 | -64.9 | -175.7 | 0 | 0 | 0 | 110 | ||||
| 253 | K | 29.1 | Very low | 31.4 | Very low | 188 Ų | 188 | 129 Ų | 129 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -132.4 | 161.1 | -178.6 | -121.1 | -176 | -177.4 | -175.5 | 0 | 109.7 | ||||
| 254 | P | 41.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -129.9 | -144.4 | 73.1 | 27.3 | -3.8 | 0 | 0 | 0 | 110.9 | |||||
| 255 | A | 29.1 | Very low | 30.4 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | cis | -150 | -127.6 | 6.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | A | 28.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 171.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 257 | A | 28 | Very low | 31.3 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | cis | -149.4 | 170.2 | 11.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 258 | T | 28.3 | Very low | 31.4 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -101.5 | -174.2 | 172.9 | 18.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 259 | P | 45.1 | Very low | 31.1 | Very low | 129 Ų | 129 | 118 Ų | 118 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | cis | -131.8 | -178 | -7.1 | 34.3 | -14.1 | 0 | 0 | 0 | 115.4 | ||||
| 260 | G | 27.8 | Very low | 31 | Very low | 76 Ų | 76 | 114.4 Ų | 114.4 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | -177.8 | 117.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 261 | A | 28.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -44.5 | 148.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 262 | A | 26.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | 66.8 | 138.3 | 50.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 263 | A | 28.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 112.2 Ų | 112.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | cis | -155.7 | 164.8 | 14.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 264 | A | 28.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 107 Ų | 107 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 54.4 | 117.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 265 | T | 29.3 | Very low | 30.7 | Very low | 136 Ų | 136 | 106.2 Ų | 106.2 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -80 | 178.6 | 134.8 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 266 | P | 42.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 106.6 Ų | 106.6 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | cis | -130.9 | -173.9 | 4.2 | 43.3 | -27 | 0 | 0 | 0 | 114.8 | ||||
| 267 | G | 27.3 | Very low | 30.6 | Very low | 81 Ų | 81 | 106.7 Ų | 106.7 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 179 | 124.5 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 268 | A | 28.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 106.7 Ų | 106.7 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | trans | -119.4 | 140.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 269 | A | 29.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 108 Ų | 108 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -151.2 | 153.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 270 | A | 28.4 | Very low | 29.8 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -102.1 | 153.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 271 | A | 28.4 | Very low | 29.8 | Very low | 87 Ų | 87 | 109 Ų | 109 | 72% | 0.719 | 84% | 0.837 | S | S | * | * | trans | -76.5 | 164 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 272 | T | 33.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 109.5 Ų | 109.5 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | cis | -139.5 | -156.6 | 19.1 | -12.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 273 | P | 42.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 109.8 Ų | 109.8 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | cis | -134 | -173.3 | 10.4 | 44.3 | -25.2 | 0 | 0 | 0 | 115.7 | ||||
| 274 | G | 26.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | 166.5 | 127.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 275 | A | 28 | Very low | 29.7 | Very low | 107 Ų | 107 | 113.2 Ų | 113.2 | 88% | 0.884 | 85% | 0.85 | S | S | * | * | trans | -142.1 | 145.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 276 | A | 26.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 91% | 0.909 | 85% | 0.854 | S | S | * | * | trans | -166.5 | 161.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 277 | A | 28.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | -136.4 | 159.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 278 | A | 30 | Very low | 28.7 | Very low | 99 Ų | 99 | 112.6 Ų | 112.6 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | trans | -176.4 | 153.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 279 | D | 25.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 112.1 Ų | 112.1 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | trans | -73.7 | 159.9 | 174.7 | -55.8 | -97.1 | 0 | 0 | 0 | 114.8 | ||||
| 280 | A | 30.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | -167.5 | 148.8 | 127 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 281 | S | 27.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -92.9 | 150.1 | -179.3 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 282 | A | 29.3 | Very low | 28.8 | Very low | 108 Ų | 108 | 118 Ų | 118 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -144.1 | 143.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 283 | A | 26.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | trans | -117.4 | 150 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 284 | A | 31.1 | Very low | 27.7 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -153.1 | 143.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | D | 24.6 | Very low | 27.8 | Very low | 162 Ų | 162 | 124 Ų | 124 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | -65.5 | 150.1 | 176.5 | -71.7 | -77.2 | 0 | 0 | 0 | 113.3 | ||||
| 286 | C | 26.8 | Very low | 27.7 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 92% | 0.919 | 83% | 0.83 | S | S | * | * | -161.5 | 156 | 125.5 | -109.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 287 | A | 24.6 | Very low | 27.8 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -114.8 | 171.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 288 | A | 25.8 | Very low | 27.9 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | 97.2 | 148 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 289 | A | 27.8 | Very low | 27.6 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | 83.2 | 129.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 290 | V | 29.8 | Very low | 28 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -98.7 | 135.5 | 172.5 | 170.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 291 | P | 31.9 | Very low | 27.9 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | trans | -94.1 | 106 | 156.6 | 32.7 | -24.8 | 0 | 0 | 0 | 108.7 | ||||
| 292 | Q | 28.2 | Very low | 28 | Very low | 164 Ų | 164 | 127 Ų | 127 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | 83.4 | 101 | 62.2 | -170.4 | 170.7 | -12.4 | 0 | 0 | 113.3 | |||||
| 293 | Q | 23.8 | Very low | 27.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | trans | -64.4 | 146.3 | 168.8 | 174.5 | -175.1 | -9.9 | 0 | 0 | 111.8 | Q295 | Q293-Q295 HydrophobicContact CG-CG 4.47Š| ||
| 294 | L | 28.3 | Very low | 28.1 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -117.7 | 135.3 | 168.3 | -80.1 | 171.1 | 0 | 0 | 0 | 110.8 | ||||
| 295 | Q | 27.9 | Very low | 28 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -124.6 | 138.1 | 173.9 | -61.7 | 178.5 | -68.8 | 0 | 0 | 109.6 | Q293 | Q293-Q295 HydrophobicContact CG-CG 4.47Š| ||
| 296 | S | 26.9 | Very low | 28.2 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -172.3 | 121.7 | 140.4 | -81.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 297 | S | 28.7 | Very low | 28.5 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | 87 | 99.7 | 50.9 | -66 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 298 | A | 30.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -144 | 131.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 299 | S | 25.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 126 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 300 | L | 32.8 | Very low | 28.7 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -148.1 | 153.7 | 166.3 | -75.4 | -177.6 | 0 | 0 | 0 | 108.9 | ||||
| 301 | D | 28.8 | Very low | 29.1 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -115.5 | 160.7 | -166.7 | -172.6 | 10.4 | 0 | 0 | 0 | 111.6 | ||||
| 302 | G | 28.8 | Very low | 28.8 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 179.2 | 33.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 303 | S | 28.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 54.2 | 111.6 | 154.7 | -67.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 304 | A | 29.6 | Very low | 29.2 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 63.7 | 119 | 130.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 305 | S | 29.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | -178.1 | 133.9 | 100.1 | -78.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 306 | S | 29.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | 67.1 | 152 | 156.7 | 71 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 307 | A | 31.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | 57 | 104.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 308 | G | 27.1 | Very low | 30.9 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | cis | 134.1 | 64.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 309 | F | 26.3 | Very low | 31.3 | Very low | 219 Ų | 219 | 133.9 Ų | 133.9 | 96% | 0.961 | 82% | 0.815 | S | S | * | * | trans | -154.7 | 142.7 | 150.6 | -119.6 | -83.8 | 0 | 0 | 0 | 108.6 | ||||
| 310 | Q | 30.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -119.7 | 150.9 | 177.6 | -96.7 | -161.7 | -10.9 | 0 | 0 | 112 | ||||
| 311 | P | 37.2 | Very low | 32 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -83.9 | 144.3 | 179 | 34.4 | -34.4 | 0 | 0 | 0 | 112 | ||||
| 312 | V | 26.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -136.2 | 113.3 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 313 | K | 25.6 | Very low | 33.4 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 31.6 | 125.9 | 148.4 | -58.2 | -179.7 | 179.3 | -178 | 0 | 120.5 | ||||
| 314 | S | 34.2 | Very low | 34.3 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -73.1 | 136.9 | 147.4 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 315 | D | 27.8 | Very low | 35.1 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -153.8 | 169.7 | 149.9 | -114.5 | -22.3 | 0 | 0 | 0 | 107.3 | ||||
| 316 | P | 48.8 | Very low | 36 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -110.4 | 170 | -140.3 | 40.3 | -36.7 | 0 | 0 | 0 | 115.7 | ||||
| 317 | S | 39.7 | Very low | 37 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 81.9 | 81.2 | 168.9 | -35.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 318 | E | 31.5 | Very low | 37.7 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | -121.9 | 130.7 | 128.9 | -74.1 | -153.4 | 129.4 | 0 | 0 | 109.2 | L320 | E318-L320 PolarHBondContact O-N 3.08Š| |||
| 319 | L | 38.6 | Very low | 38.7 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | -86.3 | 104.6 | 176.8 | -175.5 | 163.5 | 0 | 0 | 0 | 106.3 | D321 | L319-D321 PolarHBondContact O-N 2.89Š| ||
| 320 | L | 36.7 | Very low | 39.6 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 116.9 | 172.5 | -67.8 | 179.2 | 0 | 0 | 0 | 108.6 | E318 F322 | E318-L320 PolarHBondContact O-N 3.08Å; L320-F322 PolarHBondContact O-N 3.34Å |
| 321 | D | 36.1 | Very low | 40.3 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.7 | -171 | -142.1 | -5.6 | 0 | 0 | 0 | 110.1 | L319 | L319-D321 PolarHBondContact O-N 2.89Š|
| 322 | F | 37.3 | Very low | 40.5 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127 | 178.3 | -116.3 | -102.2 | 0 | 0 | 0 | 108.7 | L320 K324 | L320-F322 PolarHBondContact O-N 3.34Å; F322-K324 PolarHBondContact O-N 3.48Å; F322-K324 VanDerWaalsContact O-N 3.09Å |
| 323 | P | 48.8 | Very low | 41.7 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 46% | 0.461 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 119.1 | -179.7 | -26 | 34.5 | 0 | 0 | 0 | 111.2 | E325 L326 | P323-E325 PolarHBondContact O-N 3.08Å; P323-E325 VanDerWaalsContact O-N 3.17Å; P323-L326 HydrophobicContact CB-CD1 4.46Å; P323-L326 HydrophobicContact CB-CG 4.35Å; P323-L326 HydrophobicContact CG-CD1 4.48Å; P323-L326 WeakPolarHBondContact O-CB 3.33Å; P323-L326 PolarHBondContact O-N 3.13Å |
| 324 | K | 46.9 | Very low | 42.9 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -26 | -176.1 | -76 | 175.8 | -179.7 | 163.9 | 0 | 112.3 | F322 L326 S327 | F322-K324 PolarHBondContact O-N 3.48Å; F322-K324 VanDerWaalsContact O-N 3.09Å; K324-L326 PolarHBondContact O-N 3.28Å; K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.27Å; K324-S327 PolarHBondContact O-OG 2.68Å |
| 325 | E | 47.5 | Very low | 43.7 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -55.8 | -34.4 | 173.5 | -65.8 | 105 | 172.5 | 0 | 0 | 112.7 | P323 S327 E328 | P323-E325 PolarHBondContact O-N 3.08Å; P323-E325 VanDerWaalsContact O-N 3.17Å; E325-S327 PolarHBondContact O-N 3.45Å; E325-E328 PolarHBondContact O-N 2.98Å |
| 326 | L | 49.5 | Very low | 44.6 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 44% | 0.44 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -68.9 | -20 | 177.9 | -60.4 | 179.2 | 0 | 0 | 0 | 113.1 | P323 K324 M329 | P323-L326 HydrophobicContact CB-CD1 4.46Å; P323-L326 HydrophobicContact CB-CG 4.35Å; P323-L326 HydrophobicContact CG-CD1 4.48Å; P323-L326 WeakPolarHBondContact O-CB 3.33Å; P323-L326 PolarHBondContact O-N 3.13Å; K324-L326 PolarHBondContact O-N 3.28Å; L326-M329 HydrophobicContact CB-CE 4.1Å; L326-M329 HydrophobicContact CD2-CE 3.65Å; L326-M329 HydrophobicContact CD2-SD 3.77Å; L326-M329 HydrophobicContact CG-CE 4.48Å |
| 327 | S | 48.9 | Very low | 44.5 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81.7 | -24.9 | 177 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | K324 E325 M329 | K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.27Å; K324-S327 PolarHBondContact O-OG 2.68Å; E325-S327 PolarHBondContact O-N 3.45Å; S327-M329 VanDerWaalsContact C-N 3.31Å |
| 328 | E | 47.3 | Very low | 45.3 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.1 | -18.3 | 176.7 | -59.3 | -143 | 130.6 | 0 | 0 | 112.8 | E325 F330 D331 K334 | E325-E328 PolarHBondContact O-N 2.98Å; E328-F330 PolarHBondContact O-N 3.09Å; E328-F330 VanDerWaalsContact O-N 3.13Å; E328-D331 PolarHBondContact O-N 2.93Å; E328-K334 IonicContact OE1-NZ 3.95Å; E328-K334 PolarHBondContact OE1-NZ 3.47Å; E328-K334 IonicContact OE2-NZ 3.12Å; E328-K334 PolarHBondContact OE2-NZ 3.19Å |
| 329 | M | 48.2 | Very low | 46.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 60% | 0.596 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -14.4 | -179.1 | -54.1 | -169 | -49.2 | 0 | 0 | 114.7 | L326 S327 | L326-M329 HydrophobicContact CB-CE 4.1Å; L326-M329 HydrophobicContact CD2-CE 3.65Å; L326-M329 HydrophobicContact CD2-SD 3.77Å; L326-M329 HydrophobicContact CG-CE 4.48Å; S327-M329 VanDerWaalsContact C-N 3.31Å |
| 330 | F | 44.8 | Very low | 47 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 77% | 0.768 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 12.1 | -173.9 | -69.9 | -79.6 | 0 | 0 | 0 | 113.7 | E328 P332 | E328-F330 PolarHBondContact O-N 3.09Å; E328-F330 VanDerWaalsContact O-N 3.13Å; F330-P332 WeakPolarHBondContact O-CD 3.48Å |
| 331 | D | 43.9 | Very low | 47.9 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | trans | -87 | 115 | 171.6 | -170.8 | -29.4 | 0 | 0 | 0 | 110.6 | E328 T333 | E328-D331 PolarHBondContact O-N 2.93Å; D331-T333 PolarHBondContact O-N 3Å; D331-T333 VanDerWaalsContact O-N 3.12Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 3.21Å; D331-T333 PolarHBondContact OD1-OG1 2.87Å | ||
| 332 | P | 42.2 | Very low | 48.9 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 13 | -178.2 | 34.5 | -37.1 | 0 | 0 | 0 | 114.1 | F330 | F330-P332 WeakPolarHBondContact O-CD 3.48Š|
| 333 | T | 51.2 | Low | 49.9 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 0.6 | -172.4 | 69.9 | 0 | 0 | 0 | 0 | 116.3 | D331 | D331-T333 PolarHBondContact O-N 3Å; D331-T333 VanDerWaalsContact O-N 3.12Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 3.21Å; D331-T333 PolarHBondContact OD1-OG1 2.87Å |
| 334 | K | 50 | Low | 50.1 | Low | 129 Ų | 129 | 123.9 Ų | 123.9 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -94.6 | 143.5 | 168.7 | -85.6 | 175.6 | 169.1 | 174.3 | 0 | 111.4 | E328 | E328-K334 IonicContact OE1-NZ 3.95Å; E328-K334 PolarHBondContact OE1-NZ 3.47Å; E328-K334 IonicContact OE2-NZ 3.12Å; E328-K334 PolarHBondContact OE2-NZ 3.19Å |
| 335 | E | 51.6 | Low | 50.4 | Low | 191 Ų | 191 | 122.5 Ų | 122.5 | 89% | 0.893 | 65% | 0.646 | S | S | * | * | trans | -79.5 | 164.7 | 179.3 | -69.1 | -144.7 | 134.6 | 0 | 0 | 113.9 | ||||
| 336 | M | 47.7 | Very low | 50.6 | Low | 185 Ų | 185 | 121.6 Ų | 121.6 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | trans | -37.9 | 130.3 | -174.4 | -168.7 | 163.5 | 61.5 | 0 | 0 | 116.3 | ||||
| 337 | M | 45.8 | Very low | 50.7 | Low | 142 Ų | 142 | 121.6 Ų | 121.6 | 70% | 0.7 | 65% | 0.65 | S | S | * | * | trans | -64.3 | 144.4 | 175.8 | -63.9 | -66.8 | -75.4 | 0 | 0 | 112.3 | L341 | M337-L341 HydrophobicContact CE-CD2 3.93Š| ||
| 338 | P | 57.7 | Low | 50.4 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | trans | -70.8 | 139.2 | 170.9 | 30.3 | -34 | 0 | 0 | 0 | 111.2 | D340 | P338-D340 VanDerWaalsContact C-N 3.33Å; P338-D340 PolarHBondContact O-N 3.2Å | ||
| 339 | G | 53 | Low | 50.4 | Low | 50 Ų | 50 | 124.6 Ų | 124.6 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -33.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | L341 L342 E343 | G339-L341 PolarHBondContact O-N 2.97Å; G339-L341 VanDerWaalsContact O-N 3.08Å; G339-L342 WeakPolarHBondContact O-CB 3.19Å; G339-L342 PolarHBondContact O-N 3.34Å; G339-E343 PolarHBondContact O-N 3.49Å |
| 340 | D | 52.1 | Low | 50.5 | Low | 144 Ų | 144 | 123.9 Ų | 123.9 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -57.6 | -29.4 | -174.4 | -51.3 | -13.2 | 0 | 0 | 0 | 113.3 | P338 D344 | P338-D340 VanDerWaalsContact C-N 3.33Å; P338-D340 PolarHBondContact O-N 3.2Å; D340-D344 PolarHBondContact O-N 3.32Å |
| 341 | L | 55.2 | Low | 50.4 | Low | 104 Ų | 104 | 124.6 Ų | 124.6 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -79.9 | -20.4 | 178.2 | -164.4 | 67.3 | 0 | 0 | 0 | 112.9 | M337 G339 L345 | M337-L341 HydrophobicContact CE-CD2 3.93Å; G339-L341 PolarHBondContact O-N 2.97Å; G339-L341 VanDerWaalsContact O-N 3.08Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.49Å |
| 342 | L | 57 | Low | 50.4 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.3 | -36.8 | 174.8 | -171.6 | 64.9 | 0 | 0 | 0 | 111 | G339 L345 M346 | G339-L342 WeakPolarHBondContact O-CB 3.19Å; G339-L342 PolarHBondContact O-N 3.34Å; L342-L345 PolarHBondContact O-N 3.28Å; L342-M346 HydrophobicContact CG-CE 4.4Å; L342-M346 WeakPolarHBondContact O-CB 3.32Å; L342-M346 VanDerWaalsContact O-CG 3.31Å; L342-M346 WeakPolarHBondContact O-CG 3.42Å; L342-M346 PolarHBondContact O-N 2.68Å |
| 343 | E | 57.9 | Low | 50.5 | Low | 126 Ų | 126 | 125.8 Ų | 125.8 | 59% | 0.589 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -60.1 | -47.3 | 174.7 | -157.1 | 76.5 | -139.8 | 0 | 0 | 111.4 | G339 M346 S347 | G339-E343 PolarHBondContact O-N 3.49Å; E343-M346 PolarHBondContact O-N 3.35Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.12Å; E343-S347 VanDerWaalsContact O-N 3.08Å; E343-S347 PolarHBondContact O-OG 3.38Å |
| 344 | D | 53.7 | Low | 49.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 179.6 | -155.5 | 49.1 | 0 | 0 | 0 | 111.6 | D340 S347 S348 | D340-D344 PolarHBondContact O-N 3.32Å; D344-S347 PolarHBondContact O-N 3.33Å; D344-S348 PolarHBondContact O-N 2.91Å |
| 345 | L | 52.9 | Low | 49.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70.7 | -35.3 | 176.1 | -171.5 | 64.1 | 0 | 0 | 0 | 113 | L341 L342 S347 | L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.49Å; L342-L345 PolarHBondContact O-N 3.28Å; L345-S347 PolarHBondContact O-N 3.21Å |
| 346 | M | 51.7 | Low | 49.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 64% | 0.64 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.8 | -21.1 | 171.7 | -72.3 | -172 | -56.6 | 0 | 0 | 112.9 | L342 E343 | L342-M346 HydrophobicContact CG-CE 4.4Å; L342-M346 WeakPolarHBondContact O-CB 3.32Å; L342-M346 VanDerWaalsContact O-CG 3.31Å; L342-M346 WeakPolarHBondContact O-CG 3.42Å; L342-M346 PolarHBondContact O-N 2.68Å; E343-M346 PolarHBondContact O-N 3.35Å |
| 347 | S | 51.5 | Low | 49.6 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -5.7 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 113.8 | E343 D344 L345 | E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.12Å; E343-S347 VanDerWaalsContact O-N 3.08Å; E343-S347 PolarHBondContact O-OG 3.38Å; D344-S347 PolarHBondContact O-N 3.33Å; L345-S347 PolarHBondContact O-N 3.21Å |
| 348 | S | 42.3 | Very low | 49.6 | Very low | 67 Ų | 67 | 124.2 Ų | 124.2 | 47% | 0.469 | 67% | 0.674 | S | S | . | * | trans | -88.5 | 120 | -177.7 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | D344 V350 | D344-S348 PolarHBondContact O-N 2.91Å; S348-V350 PolarHBondContact O-N 3.06Å | ||
| 349 | E | 47.2 | Very low | 49.3 | Very low | 201 Ų | 201 | 124.3 Ų | 124.3 | 94% | 0.939 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 28.7 | -170.8 | -58.1 | -178.9 | 115 | 0 | 0 | 115.5 | ||
| 350 | V | 50.3 | Low | 49.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -18.9 | -171.6 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | S348 | S348-V350 PolarHBondContact O-N 3.06Š|
| 351 | F | 42.6 | Very low | 49.1 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.833 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -133.6 | 89.3 | -176 | -75.8 | -81.3 | 0 | 0 | 0 | 114.6 | ||
| 352 | S | 45.4 | Very low | 48.9 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | -177.5 | 139.1 | 130.8 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 353 | P | 44 | Very low | 48.3 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -101.1 | 13.5 | 159.8 | 37.6 | -31.6 | 0 | 0 | 0 | 112.3 | ||
| 354 | L | 39 | Very low | 47.9 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | -122.5 | 111.1 | -170.9 | -65.3 | 177.9 | 0 | 0 | 0 | 111.3 | ||||
| 355 | L | 44.2 | Very low | 47.7 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | trans | -81.8 | 116.5 | -177.4 | -172.8 | 68.7 | 0 | 0 | 0 | 111.6 | L357 | L355-L357 HydrophobicContact CD2-CD2 3.85Å; L355-L357 HydrophobicContact CG-CD2 4.17Å; L355-L357 PolarHBondContact O-N 3.2Å | ||
| 356 | R | 52.8 | Low | 47.7 | Very low | 214 Ų | 214 | 133.6 Ų | 133.6 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -82.7 | 104 | 177.7 | -173.7 | 175.4 | -175.7 | 160.4 | 1.2 | 110.8 | S358 | R356-S358 VanDerWaalsContact C-N 3.31Å; R356-S358 WeakPolarHBondContact CG-OG 3.47Å; R356-S358 PolarHBondContact NE-OG 3.12Å; R356-S358 PolarHBondContact O-N 2.83Å | ||
| 357 | L | 45 | Very low | 47.8 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -78.8 | -1.9 | -175.8 | -65.4 | 176.5 | 0 | 0 | 0 | 115.6 | L355 | L355-L357 HydrophobicContact CD2-CD2 3.85Å; L355-L357 HydrophobicContact CG-CD2 4.17Å; L355-L357 PolarHBondContact O-N 3.2Å | ||
| 358 | S | 45.8 | Very low | 48 | Very low | 62 Ų | 62 | 139 Ų | 139 | 43% | 0.434 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -81.6 | 123.1 | 170.6 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | R356 | R356-S358 VanDerWaalsContact C-N 3.31Å; R356-S358 WeakPolarHBondContact CG-OG 3.47Å; R356-S358 PolarHBondContact NE-OG 3.12Å; R356-S358 PolarHBondContact O-N 2.83Å |
| 359 | P | 51.2 | Low | 48.7 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 58% | 0.584 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 141.5 | 168.5 | -24.1 | 34.2 | 0 | 0 | 0 | 110.8 | ||
| 360 | P | 51.3 | Low | 49.5 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.7 | 171.7 | 28.7 | -33.8 | 0 | 0 | 0 | 109.6 | S362 | P360-S362 PolarHBondContact O-N 3.31Š|
| 361 | P | 49.6 | Very low | 50.1 | Low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -70.9 | 91.2 | 175.7 | 29.2 | -33.1 | 0 | 0 | 0 | 110.1 | ||||
| 362 | S | 52 | Low | 51.3 | Low | 86 Ų | 86 | 136.1 Ų | 136.1 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | -70.1 | 155.1 | 161.6 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | P360 H364 | P360-S362 PolarHBondContact O-N 3.31Å; S362-H364 PolarHBondContact O-N 3.12Å | ||
| 363 | D | 44.2 | Very low | 52.3 | Low | 167 Ų | 167 | 137.2 Ų | 137.2 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -70.6 | 28.4 | -174.9 | -152.3 | 27.2 | 0 | 0 | 0 | 114.7 | ||
| 364 | H | 48.6 | Very low | 53.7 | Low | 167 Ų | 167 | 136 Ų | 136 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -132.1 | 81.3 | 174.3 | -69 | -7.3 | 0 | 0 | 0 | 107 | S362 | S362-H364 PolarHBondContact O-N 3.12Š|
| 365 | D | 50.5 | Low | 55.2 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | trans | -51.2 | 150.9 | 169.8 | -83.1 | -45.4 | 0 | 0 | 0 | 111.1 | I367 | D365-I367 VanDerWaalsContact C-N 3.25Å; D365-I367 PolarHBondContact O-N 2.89Å | ||
| 366 | Y | 53.6 | Low | 56.2 | Low | 174 Ų | 174 | 129.2 Ų | 129.2 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | trans | -70.1 | 76.5 | 178.3 | -76.8 | -88.4 | 0 | 0 | 0 | 111.9 | Y368 | Y366-Y368 HydrophobicContact CD1-CD2 4.36Å; Y366-Y368 AromaticContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CE1-CE2 4.38Å; Y366-Y368 HydrophobicContact CG-CE2 4.15Å; Y366-Y368 PolarHBondContact O-N 2.63Å | ||
| 367 | I | 53.3 | Low | 56.7 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | trans | -75.4 | 73.8 | 171.3 | -49 | 178.9 | 0 | 0 | 0 | 109.3 | D365 N369 | D365-I367 VanDerWaalsContact C-N 3.25Å; D365-I367 PolarHBondContact O-N 2.89Å; I367-N369 PolarHBondContact O-N 2.69Å; I367-N369 VanDerWaalsContact O-N 3.11Å | ||
| 368 | Y | 54.6 | Low | 57.6 | Low | 195 Ų | 195 | 119.2 Ų | 119.2 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -70.1 | 97 | 160 | -73.1 | -76.3 | 0 | 0 | 0 | 108.5 | Y366 | Y366-Y368 HydrophobicContact CD1-CD2 4.36Å; Y366-Y368 AromaticContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CE1-CE2 4.38Å; Y366-Y368 HydrophobicContact CG-CE2 4.15Å; Y366-Y368 PolarHBondContact O-N 2.63Å | ||
| 369 | N | 57.9 | Low | 58.5 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.7 | 159.2 | -61.1 | -74.5 | 0 | 0 | 0 | 107.5 | I367 | I367-N369 PolarHBondContact O-N 2.69Å; I367-N369 VanDerWaalsContact O-N 3.11Å |
| 370 | L | 63 | Low | 59.2 | Low | 80 Ų | 80 | 124.3 Ų | 124.3 | 42% | 0.419 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -64 | 148.9 | 164.9 | -66 | 169.7 | 0 | 0 | 0 | 109.1 | E374 | L370-E374 HydrophobicContact CB-CB 4.08Å; L370-E374 HydrophobicContact CD2-CB 4.07Å |
| 371 | D | 62.8 | Low | 59.5 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 44% | 0.444 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 158.7 | 165.7 | 172.2 | 44.8 | 0 | 0 | 0 | 111.3 | T373 E374 | D371-T373 PolarHBondContact O-N 2.71Å; D371-T373 VanDerWaalsContact OD2-CB 3.28Å; D371-T373 WeakPolarHBondContact OD2-CB 3.45Å; D371-T373 WeakPolarHBondContact OD2-CG2 3.14Å; D371-T373 PolarHBondContact OD2-N 2.82Å; D371-T373 VanDerWaalsContact OD2-N 3.14Å; D371-T373 PolarHBondContact OD2-OG1 2.76Å; D371-E374 HydrophobicContact CB-CB 4.24Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact N-OE2 3.5Å; D371-E374 VanDerWaalsContact N-OE2 3.11Å; D371-E374 PolarHBondContact O-N 2.69Å; D371-E374 VanDerWaalsContact O-N 3.07Å |
| 372 | E | 67.6 | Low | 60 | Low | 204 Ų | 204 | 124.5 Ų | 124.5 | 95% | 0.953 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -13.5 | 174.6 | -66.8 | -170.4 | 169.6 | 0 | 0 | 112.8 | ||
| 373 | T | 68.2 | Low | 60.2 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -8.4 | 174.7 | 81.1 | 0 | 0 | 0 | 0 | 115.1 | D371 | D371-T373 PolarHBondContact O-N 2.71Å; D371-T373 VanDerWaalsContact OD2-CB 3.28Å; D371-T373 WeakPolarHBondContact OD2-CB 3.45Å; D371-T373 WeakPolarHBondContact OD2-CG2 3.14Å; D371-T373 PolarHBondContact OD2-N 2.82Å; D371-T373 VanDerWaalsContact OD2-N 3.14Å; D371-T373 PolarHBondContact OD2-OG1 2.76Å |
| 374 | E | 72.3 | Confident | 61.1 | Low | 106 Ų | 106 | 123.2 Ų | 123.2 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | trans | -95.8 | 143.3 | -176.9 | -74.6 | 176.4 | 155.2 | 0 | 0 | 112.9 | L370 D371 | L370-E374 HydrophobicContact CB-CB 4.08Å; L370-E374 HydrophobicContact CD2-CB 4.07Å; D371-E374 HydrophobicContact CB-CB 4.24Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact N-OE2 3.5Å; D371-E374 VanDerWaalsContact N-OE2 3.11Å; D371-E374 PolarHBondContact O-N 2.69Å; D371-E374 VanDerWaalsContact O-N 3.07Å | ||
| 375 | G | 70.7 | Confident | 61.4 | Low | 27 Ų | 27 | 122.8 Ų | 122.8 | 28% | 0.278 | 63% | 0.632 | S | S | . | * | trans | -116.5 | 165.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C377 D378 | G375-C377 PolarHBondContact O-N 3.09Å; G375-D378 WeakPolarHBondContact CA-OD2 3.37Å; G375-D378 PolarHBondContact N-OD2 3.14Å; G375-D378 PolarHBondContact O-N 3Å; G375-D378 VanDerWaalsContact O-N 3.14Å | ||
| 376 | L | 65.3 | Low | 61.3 | Low | 129 Ų | 129 | 123.7 Ų | 123.7 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -7.3 | 168.6 | -81.4 | 169.1 | 0 | 0 | 0 | 114.1 | ||
| 377 | C | 62.8 | Low | 60.7 | Low | 47 Ų | 47 | 127 Ų | 127 | 32% | 0.318 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -36.8 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | G375 L379 F380 D381 V382 I384 | G375-C377 PolarHBondContact O-N 3.09Å; C377-L379 VanDerWaalsContact C-N 3.32Å; C377-L379 PolarHBondContact O-N 3Å; C377-F380 PolarHBondContact O-N 3.34Å; C377-D381 PolarHBondContact O-N 3.31Å; C377-V382 PolarHBondContact O-N 3.49Å; C377-I384 HydrophobicContact CB-CD1 4.01Å; C377-I384 HydrophobicContact CB-CG1 4.02Å |
| 378 | D | 63.7 | Low | 61.1 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -69.9 | -30.4 | -177.4 | -52.7 | -70.8 | 0 | 0 | 0 | 111.9 | G375 F380 | G375-D378 WeakPolarHBondContact CA-OD2 3.37Å; G375-D378 PolarHBondContact N-OD2 3.14Å; G375-D378 PolarHBondContact O-N 3Å; G375-D378 VanDerWaalsContact O-N 3.14Å; D378-F380 PolarHBondContact O-N 3.47Å |
| 379 | L | 66.4 | Low | 61.4 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 60% | 0.602 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -70.1 | -13.7 | 177.5 | -172.2 | 58.9 | 0 | 0 | 0 | 114.1 | C377 | C377-L379 VanDerWaalsContact C-N 3.32Å; C377-L379 PolarHBondContact O-N 3Å |
| 380 | F | 64.4 | Low | 61.6 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 63% | 0.632 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -133.6 | 11.5 | -171.7 | -70.8 | -76.3 | 0 | 0 | 0 | 114.4 | C377 D378 V382 | C377-F380 PolarHBondContact O-N 3.34Å; D378-F380 PolarHBondContact O-N 3.47Å; F380-V382 HydrophobicContact CB-CG2 3.75Å; F380-V382 PolarHBondContact O-N 3Å; F380-V382 VanDerWaalsContact O-N 3.09Å |
| 381 | D | 57.8 | Low | 61.6 | Low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.1 | 31.5 | -176.4 | -81.9 | -43.6 | 0 | 0 | 0 | 113.6 | C377 P383 | C377-D381 PolarHBondContact O-N 3.31Å; D381-P383 WeakPolarHBondContact O-CD 3.28Å |
| 382 | V | 59.8 | Low | 61.5 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 52% | 0.515 | 68% | 0.684 | S | S | . | * | trans | -82.7 | 112.2 | -175.8 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | C377 F380 I384 | C377-V382 PolarHBondContact O-N 3.49Å; F380-V382 HydrophobicContact CB-CG2 3.75Å; F380-V382 PolarHBondContact O-N 3Å; F380-V382 VanDerWaalsContact O-N 3.09Å; V382-I384 PolarHBondContact O-N 3.3Å; V382-I384 VanDerWaalsContact O-N 3.11Å | ||
| 383 | P | 57 | Low | 61.1 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | trans | -67.4 | 115.9 | 179.4 | 27.7 | -34.1 | 0 | 0 | 0 | 109.9 | D381 L385 | D381-P383 WeakPolarHBondContact O-CD 3.28Å; P383-L385 PolarHBondContact O-N 3.16Å | ||
| 384 | I | 61.8 | Low | 60.6 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -65.5 | 101.9 | 176.3 | -56.4 | 176.7 | 0 | 0 | 0 | 108.5 | C377 V382 N386 | C377-I384 HydrophobicContact CB-CD1 4.01Å; C377-I384 HydrophobicContact CB-CG1 4.02Å; V382-I384 PolarHBondContact O-N 3.3Å; V382-I384 VanDerWaalsContact O-N 3.11Å; I384-N386 PolarHBondContact O-N 2.83Å | ||
| 385 | L | 55.9 | Low | 59.7 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 67% | 0.672 | S | S | * | * | trans | -71.5 | 109.8 | 170.1 | -68.1 | 174.3 | 0 | 0 | 0 | 108.3 | P383 | P383-L385 PolarHBondContact O-N 3.16Š| ||
| 386 | N | 48.4 | Very low | 58.7 | Low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | trans | -48.3 | 137.1 | -179.2 | -66.5 | -43.8 | 0 | 0 | 0 | 112.6 | I384 | I384-N386 PolarHBondContact O-N 2.83Š| ||
| 387 | L | 41.6 | Very low | 58.2 | Low | 245 Ų | 245 | 132 Ų | 132 | 100% | 1.283 | 71% | 0.708 | S | S | * | * | trans | -120 | 0 | 173.9 | -169.4 | 73 | 0 | 0 | 0 | 110.3 |
Retrieved 387 of 387 residues in 942.1 ms
(Link to these results)