| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.1 | Very low | 38 | Very low | 252 Ų | 252 | 150.5 Ų | 150.5 | 100% | 1.241 | 88% | 0.875 | S | S | * | * | 0 | 119.6 | 0 | -63.4 | 176.5 | 174.2 | 0 | 0 | 105.6 | |||||
| 2 | A | 33.7 | Very low | 38.9 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 83% | 0.826 | 88% | 0.879 | S | S | * | * | cis | -140.9 | 155.6 | 27 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | A | 35.7 | Very low | 40.2 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -85.8 | 145.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | V | 35.8 | Very low | 41.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -131 | 124.6 | 167.3 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | S | 36.3 | Very low | 43.1 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -73.7 | 161.8 | -169 | -50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 6 | P | 41.2 | Very low | 44.7 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -83.2 | 133.3 | 176.4 | 17.3 | -3.1 | 0 | 0 | 0 | 112 | T8 | P6-T8 PolarHBondContact O-N 3.03Š| ||
| 7 | T | 37.3 | Very low | 46.1 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | -68.4 | 115 | 178.3 | -31 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | T | 36.4 | Very low | 47.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -67.7 | 128.2 | 175.3 | -15.1 | 0 | 0 | 0 | 0 | 110.7 | P6 | P6-T8 PolarHBondContact O-N 3.03Š| ||
| 9 | R | 40.6 | Very low | 48.4 | Very low | 244 Ų | 244 | 124.7 Ų | 124.7 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -85.6 | 111.5 | 172.5 | -170.5 | 175.5 | 172.9 | -175.1 | -3.9 | 108.8 | ||||
| 10 | C | 33 | Very low | 49.7 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.6 | 179.1 | -76.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 11 | Q | 46.4 | Very low | 50.9 | Low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 125.9 | 160.4 | -74.6 | 171.6 | -64.5 | 0 | 0 | 107.7 | S13 | Q11-S13 PolarHBondContact O-N 3.18Š|
| 12 | E | 47.9 | Very low | 52.4 | Low | 197 Ų | 197 | 110.4 Ų | 110.4 | 92% | 0.921 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.2 | 168.5 | -78.8 | 170.3 | 171.2 | 0 | 0 | 108.1 | ||
| 13 | S | 55.7 | Low | 54.3 | Low | 77 Ų | 77 | 108.3 Ų | 108.3 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 129.4 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | Q11 T15 | Q11-S13 PolarHBondContact O-N 3.18Å; S13-T15 WeakPolarHBondContact O-CG2 3.46Å; S13-T15 PolarHBondContact O-N 3.03Å |
| 14 | V | 57.1 | Low | 56 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 121.3 | 169 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | D18 V19 | V14-D18 WeakPolarHBondContact CA-OD2 3.44Å; V14-D18 HydrophobicContact CG1-CB 4.05Å; V14-V19 HydrophobicContact CG1-CG2 4.05Å |
| 15 | T | 67 | Low | 57.3 | Low | 48 Ų | 48 | 104.6 Ų | 104.6 | 29% | 0.294 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -99.4 | 170.7 | -179.2 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | S13 E17 D18 | S13-T15 WeakPolarHBondContact O-CG2 3.46Å; S13-T15 PolarHBondContact O-N 3.03Å; T15-E17 WeakPolarHBondContact CB-OE2 3.4Å; T15-E17 PolarHBondContact O-N 3.2Å; T15-E17 PolarHBondContact OG1-OE2 3.33Å; T15-D18 PolarHBondContact N-OD2 2.84Å; T15-D18 WeakPolarHBondContact O-CB 3.37Å; T15-D18 PolarHBondContact O-N 3.5Å |
| 16 | F | 68.6 | Low | 58.8 | Low | 5 Ų | 5 | 105.2 Ų | 105.2 | 2% | 0.022 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -64 | -31.9 | 178.3 | -179.3 | -101.5 | 0 | 0 | 0 | 111.4 | D18 V19 A20 Y47 I50 P60 I63 | F16-D18 PolarHBondContact O-N 3.25Å; F16-V19 CarbonylContact O-C 3.58Å; F16-V19 PolarHBondContact O-N 3.15Å; F16-V19 VanDerWaalsContact O-N 3.08Å; F16-A20 HydrophobicContact CD1-CB 3.94Å; F16-A20 HydrophobicContact CE1-CB 3.63Å; F16-A20 HydrophobicContact CZ-CB 4.07Å; F16-A20 VanDerWaalsContact O-CB 3.24Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.84Å; F16-Y47 HydrophobicContact CD2-CD2 4.12Å; F16-Y47 HydrophobicContact CE2-CD2 4.4Å; F16-I50 HydrophobicContact CB-CD1 4.41Å; F16-I50 HydrophobicContact CD2-CD1 3.9Å; F16-P60 HydrophobicContact CB-CG 3.8Å; F16-P60 HydrophobicContact CD1-CB 3.72Å; F16-P60 HydrophobicContact CD1-CG 3.49Å; F16-P60 VanDerWaalsContact CD1-CG 3.49Å; F16-P60 HydrophobicContact CD2-CG 4.42Å; F16-P60 HydrophobicContact CE1-CB 4.12Å; F16-P60 HydrophobicContact CE1-CG 4.18Å; F16-P60 HydrophobicContact CG-CB 4.38Å; F16-P60 HydrophobicContact CG-CG 3.64Å; F16-I63 HydrophobicContact CE1-CD1 4.24Å; F16-I63 HydrophobicContact CE1-CG1 3.88Å; F16-I63 HydrophobicContact CE2-CD1 3.83Å; F16-I63 HydrophobicContact CE2-CG1 3.89Å; F16-I63 HydrophobicContact CZ-CD1 3.42Å; F16-I63 VanDerWaalsContact CZ-CD1 3.42Å; F16-I63 HydrophobicContact CZ-CG1 3.49Å; F16-I63 VanDerWaalsContact CZ-CG1 3.49Å |
| 17 | E | 69.2 | Low | 60.2 | Low | 127 Ų | 127 | 103.7 Ų | 103.7 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -60.4 | -28.8 | 176.6 | -62.9 | 71.3 | -155.2 | 0 | 0 | 112.5 | T15 V19 | T15-E17 WeakPolarHBondContact CB-OE2 3.4Å; T15-E17 PolarHBondContact O-N 3.2Å; T15-E17 PolarHBondContact OG1-OE2 3.33Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.05Å |
| 18 | D | 68.3 | Low | 62 | Low | 113 Ų | 113 | 97.5 Ų | 97.5 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -73.3 | -19.7 | 177.8 | -63.3 | -38.9 | 0 | 0 | 0 | 113.1 | V14 T15 F16 | V14-D18 WeakPolarHBondContact CA-OD2 3.44Å; V14-D18 HydrophobicContact CG1-CB 4.05Å; T15-D18 PolarHBondContact N-OD2 2.84Å; T15-D18 WeakPolarHBondContact O-CB 3.37Å; T15-D18 PolarHBondContact O-N 3.5Å; F16-D18 PolarHBondContact O-N 3.25Å |
| 19 | V | 67.9 | Low | 63.6 | Low | 58 Ų | 58 | 94.7 Ų | 94.7 | 35% | 0.352 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -10.2 | -173.3 | -158.8 | 0 | 0 | 0 | 0 | 111.9 | V14 F16 E17 N46 I50 | V14-V19 HydrophobicContact CG1-CG2 4.05Å; F16-V19 CarbonylContact O-C 3.58Å; F16-V19 PolarHBondContact O-N 3.15Å; F16-V19 VanDerWaalsContact O-N 3.08Å; E17-V19 VanDerWaalsContact C-N 3.27Å; E17-V19 PolarHBondContact O-N 3.05Å; V19-N46 HydrophobicContact CG1-CB 4.36Å; V19-N46 PolarHBondContact O-ND2 3.32Å; V19-I50 HydrophobicContact CB-CD1 4.26Å; V19-I50 HydrophobicContact CG2-CD1 4.05Å |
| 20 | A | 74.5 | Confident | 65.2 | Low | 24 Ų | 24 | 92.5 Ų | 92.5 | 20% | 0.198 | 49% | 0.491 | C | S | . | . | trans | -76.3 | 131.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F16 | F16-A20 HydrophobicContact CD1-CB 3.94Å; F16-A20 HydrophobicContact CE1-CB 3.63Å; F16-A20 HydrophobicContact CZ-CB 4.07Å; F16-A20 VanDerWaalsContact O-CB 3.24Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.84Å | ||
| 21 | V | 74.9 | Confident | 66.9 | Low | 77 Ų | 77 | 88.1 Ų | 88.1 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | trans | -94.8 | 122.3 | 166.2 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | F23 Y39 M43 | V21-F23 HydrophobicContact CG1-CE2 4.42Å; V21-F23 HydrophobicContact CG1-CZ 4.4Å; V21-Y39 HydrophobicContact CB-CE2 4.43Å; V21-Y39 WeakPolarHBondContact O-CE2 3.42Å; V21-Y39 VanDerWaalsContact O-CZ 3.3Å; V21-Y39 PolarHBondContact O-OH 3.34Å; V21-M43 HydrophobicContact CB-CE 3.65Å; V21-M43 HydrophobicContact CG2-CE 3.9Å | ||
| 22 | V | 74.1 | Confident | 68 | Low | 101 Ų | 101 | 82 Ų | 82 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | trans | -106.1 | 139.1 | 177.6 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | W73 | V22-W73 HydrophobicContact CG1-CZ3 4.26Š| ||
| 23 | F | 72.5 | Confident | 69 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | trans | -109.4 | 147.9 | 175.8 | -74.3 | -72.4 | 0 | 0 | 0 | 109.9 | V21 E27 W28 L31 Y39 W73 | V21-F23 HydrophobicContact CG1-CE2 4.42Å; V21-F23 HydrophobicContact CG1-CZ 4.4Å; F23-E27 HydrophobicContact CB-CB 4.26Å; F23-E27 HydrophobicContact CD1-CB 3.87Å; F23-W28 HydrophobicContact CB-CB 4.3Å; F23-W28 HydrophobicContact CB-CE3 4.21Å; F23-W28 AromaticContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CZ3 4.02Å; F23-W28 HydrophobicContact CG-CE3 4.27Å; F23-L31 HydrophobicContact CD2-CD1 4.08Å; F23-L31 HydrophobicContact CE1-CD1 4.44Å; F23-L31 HydrophobicContact CE2-CD1 3.85Å; F23-L31 HydrophobicContact CG-CD1 4.46Å; F23-L31 HydrophobicContact CZ-CD1 4.04Å; F23-Y39 AromaticContact CD2-CD2 3.93Å; F23-Y39 HydrophobicContact CD2-CD2 3.93Å; F23-Y39 AromaticContact CD2-CE2 3.64Å; F23-Y39 HydrophobicContact CD2-CE2 3.64Å; F23-Y39 AromaticContact CE2-CD2 3.42Å; F23-Y39 HydrophobicContact CE2-CD2 3.42Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.42Å; F23-Y39 AromaticContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CG 4.19Å; F23-W73 HydrophobicContact CB-CH2 4.44Å | ||
| 24 | T | 71.4 | Confident | 69.2 | Low | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | trans | -75.2 | 167 | 164.4 | 82.7 | 0 | 0 | 0 | 0 | 111 | E26 E27 W28 | T24-E26 VanDerWaalsContact C-N 3.31Å; T24-E26 WeakPolarHBondContact CB-OE2 3.18Å; T24-E26 PolarHBondContact O-N 3.38Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å; T24-E27 PolarHBondContact N-OE2 3.47Å; T24-E27 VanDerWaalsContact N-OE2 3.1Å; T24-E27 PolarHBondContact O-N 3.4Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.04Å; T24-W28 WeakPolarHBondContact O-CB 3.28Å; T24-W28 PolarHBondContact O-N 3.1Å | ||
| 25 | D | 63.6 | Low | 69.6 | Low | 101 Ų | 101 | 72.4 Ų | 72.4 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 178.9 | -172.1 | 59.8 | 0 | 0 | 0 | 112.2 | E27 W28 S29 | D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.35Å; D25-W28 PolarHBondContact O-N 2.85Å; D25-S29 VanDerWaalsContact O-CB 3.3Å; D25-S29 WeakPolarHBondContact O-CB 3.44Å; D25-S29 PolarHBondContact O-N 3.37Å; D25-S29 PolarHBondContact O-OG 3.48Å |
| 26 | E | 66.3 | Low | 70.1 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | 175.4 | -57.4 | 77.7 | -169 | 0 | 0 | 112.2 | T24 S29 R30 | T24-E26 VanDerWaalsContact C-N 3.31Å; T24-E26 WeakPolarHBondContact CB-OE2 3.18Å; T24-E26 PolarHBondContact O-N 3.38Å; T24-E26 PolarHBondContact OG1-OE2 3.02Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 2.93Å; E26-R30 WeakPolarHBondContact O-CD 3.22Å; E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-NE 2.82Å |
| 27 | E | 71.3 | Confident | 70.2 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78.3 | -39 | 176.6 | -67.2 | 178.2 | 145 | 0 | 0 | 111.7 | F23 T24 D25 R30 | F23-E27 HydrophobicContact CB-CB 4.26Å; F23-E27 HydrophobicContact CD1-CB 3.87Å; T24-E27 PolarHBondContact N-OE2 3.47Å; T24-E27 VanDerWaalsContact N-OE2 3.1Å; T24-E27 PolarHBondContact O-N 3.4Å; T24-E27 VanDerWaalsContact O-N 3.15Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.04Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.35Å; E27-R30 WeakPolarHBondContact O-CB 3.42Å; E27-R30 PolarHBondContact O-N 3.4Å |
| 28 | W | 75.4 | Confident | 70.5 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 6% | 0.064 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 179.1 | -174.7 | -100 | 0 | 0 | 0 | 112.9 | F23 T24 D25 R30 L31 R36 Y39 P72 W73 | F23-W28 HydrophobicContact CB-CB 4.3Å; F23-W28 HydrophobicContact CB-CE3 4.21Å; F23-W28 AromaticContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CE3 3.79Å; F23-W28 HydrophobicContact CD2-CZ3 4.02Å; F23-W28 HydrophobicContact CG-CE3 4.27Å; T24-W28 WeakPolarHBondContact O-CB 3.28Å; T24-W28 PolarHBondContact O-N 3.1Å; D25-W28 PolarHBondContact O-N 2.85Å; W28-R30 PolarHBondContact O-N 2.8Å; W28-L31 HydrophobicContact CD2-CD1 4.32Å; W28-L31 HydrophobicContact CE3-CD1 3.62Å; W28-L31 HydrophobicContact CZ3-CD1 3.89Å; W28-L31 WeakPolarHBondContact O-CB 3.46Å; W28-L31 PolarHBondContact O-N 3.19Å; W28-R36 HydrophobicContact CH2-CB 3.95Å; W28-R36 HydrophobicContact CH2-CG 4.04Å; W28-R36 HydrophobicContact CZ2-CB 3.83Å; W28-R36 HydrophobicContact CZ2-CG 3.71Å; W28-R36 PolarHBondContact O-NE 3.47Å; W28-R36 PolarHBondContact O-NH2 3.4Å; W28-R36 VanDerWaalsContact O-NH2 3.1Å; W28-Y39 AromaticContact CH2-CD1 3.39Å; W28-Y39 HydrophobicContact CH2-CD1 3.39Å; W28-Y39 AromaticContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CG 4.06Å; W28-Y39 AromaticContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD2 4.36Å; W28-Y39 AromaticContact CZ3-CE1 3.58Å; W28-Y39 HydrophobicContact CZ3-CE1 3.58Å; W28-Y39 AromaticContact CZ3-CG 3.66Å; W28-Y39 HydrophobicContact CZ3-CG 3.66Å; W28-P72 HydrophobicContact CZ2-CG 4.34Å; W28-W73 HydrophobicContact CB-CZ2 4.24Å; W28-W73 HydrophobicContact CD2-CZ2 4.06Å; W28-W73 HydrophobicContact CE3-CZ2 4.17Å; W28-W73 HydrophobicContact CG-CZ2 4.09Å |
| 29 | S | 70.4 | Confident | 71 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -28.6 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | D25 E26 L31 R36 | D25-S29 VanDerWaalsContact O-CB 3.3Å; D25-S29 WeakPolarHBondContact O-CB 3.44Å; D25-S29 PolarHBondContact O-N 3.37Å; D25-S29 PolarHBondContact O-OG 3.48Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 2.93Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-R36 PolarHBondContact O-NH2 3.44Å |
| 30 | R | 73.8 | Confident | 71.4 | Confident | 198 Ų | 198 | 69.6 Ų | 69.6 | 75% | 0.747 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.4 | 173.8 | -68.1 | 169.2 | -176.1 | -174 | 1.3 | 114.2 | E26 E27 W28 | E26-R30 WeakPolarHBondContact O-CD 3.22Å; E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-NE 2.82Å; E27-R30 WeakPolarHBondContact O-CB 3.42Å; E27-R30 PolarHBondContact O-N 3.4Å; W28-R30 PolarHBondContact O-N 2.8Å |
| 31 | L | 68.8 | Low | 71.2 | Confident | 28 Ų | 28 | 71 Ų | 71 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -80.5 | 129.9 | 175.7 | -60.6 | -179.3 | 0 | 0 | 0 | 111 | F23 W28 S29 Q35 R36 | F23-L31 HydrophobicContact CD2-CD1 4.08Å; F23-L31 HydrophobicContact CE1-CD1 4.44Å; F23-L31 HydrophobicContact CE2-CD1 3.85Å; F23-L31 HydrophobicContact CG-CD1 4.46Å; F23-L31 HydrophobicContact CZ-CD1 4.04Å; W28-L31 HydrophobicContact CD2-CD1 4.32Å; W28-L31 HydrophobicContact CE3-CD1 3.62Å; W28-L31 HydrophobicContact CZ3-CD1 3.89Å; W28-L31 WeakPolarHBondContact O-CB 3.46Å; W28-L31 PolarHBondContact O-N 3.19Å; S29-L31 VanDerWaalsContact C-N 3.32Å; L31-Q35 HydrophobicContact CB-CB 4.09Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-R36 HydrophobicContact CB-CG 3.81Å; L31-R36 PolarHBondContact O-NE 2.99Å; L31-R36 PolarHBondContact O-NH2 3.23Å |
| 32 | V | 69.3 | Low | 71.3 | Confident | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | trans | -73.2 | 158.4 | 172.6 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | I34 Q35 R36 P241 | V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 2.86Å; V32-I34 VanDerWaalsContact O-N 3.09Å; V32-Q35 HydrophobicContact CG2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CG 3.73Å; V32-Q35 WeakPolarHBondContact O-CA 3.34Å; V32-Q35 WeakPolarHBondContact O-CB 3.36Å; V32-Q35 PolarHBondContact O-N 3.21Å; V32-R36 PolarHBondContact O-N 3.43Å; V32-R36 VanDerWaalsContact O-N 3.14Å; V32-P241 HydrophobicContact CG2-CB 4.37Å; V32-P241 HydrophobicContact CG2-CG 4.42Å | ||
| 33 | P | 69.2 | Low | 71.6 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -48.9 | -43.4 | -173.9 | -31.1 | 36.9 | 0 | 0 | 0 | 114.4 | Q35 R36 D37 | P33-Q35 VanDerWaalsContact C-N 3.32Å; P33-Q35 PolarHBondContact O-N 3.12Å; P33-R36 WeakPolarHBondContact O-CB 3.41Å; P33-R36 PolarHBondContact O-N 3.47Å; P33-R36 VanDerWaalsContact O-N 3.13Å; P33-D37 PolarHBondContact O-N 3.44Å |
| 34 | I | 58.9 | Low | 71.8 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70 | -28.7 | -179 | -53.5 | 167.7 | 0 | 0 | 0 | 112.4 | V32 D37 L38 M234 | V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 2.86Å; V32-I34 VanDerWaalsContact O-N 3.09Å; I34-D37 PolarHBondContact O-N 2.75Å; I34-L38 WeakPolarHBondContact O-CB 3.23Å; I34-L38 PolarHBondContact O-N 3.21Å; I34-M234 HydrophobicContact CB-CE 3.67Å; I34-M234 HydrophobicContact CD1-CE 3.56Å; I34-M234 HydrophobicContact CD1-SD 3.45Å; I34-M234 WeakPolarHBondContact CD1-SD 3.41Å; I34-M234 HydrophobicContact CG1-CE 4.2Å; I34-M234 HydrophobicContact CG2-CE 3.22Å; I34-M234 HydrophobicContact CG2-SD 4.43Å |
| 35 | Q | 67.3 | Low | 72 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | 172.5 | -72.6 | 175 | -36.2 | 0 | 0 | 111.5 | L31 V32 P33 D37 L38 Y39 P241 Y242 | L31-Q35 HydrophobicContact CB-CB 4.09Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CB 4.21Å; V32-Q35 HydrophobicContact CG2-CG 3.73Å; V32-Q35 WeakPolarHBondContact O-CA 3.34Å; V32-Q35 WeakPolarHBondContact O-CB 3.36Å; V32-Q35 PolarHBondContact O-N 3.21Å; P33-Q35 VanDerWaalsContact C-N 3.32Å; P33-Q35 PolarHBondContact O-N 3.12Å; Q35-D37 VanDerWaalsContact C-N 3.31Å; Q35-L38 PolarHBondContact O-N 3.12Å; Q35-Y39 WeakPolarHBondContact O-CB 3.24Å; Q35-Y39 PolarHBondContact O-N 3.3Å; Q35-P241 HydrophobicContact CG-CB 4.43Å; Q35-P241 HydrophobicContact CG-CG 4.49Å; Q35-Y242 PolarHBondContact NE2-OH 3.5Å |
| 36 | R | 77 | Confident | 72.4 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 174.1 | -61.7 | 179.5 | -177.8 | 154.2 | 6.3 | 111 | W28 S29 L31 V32 P33 Y39 K40 | W28-R36 HydrophobicContact CH2-CB 3.95Å; W28-R36 HydrophobicContact CH2-CG 4.04Å; W28-R36 HydrophobicContact CZ2-CB 3.83Å; W28-R36 HydrophobicContact CZ2-CG 3.71Å; W28-R36 PolarHBondContact O-NE 3.47Å; W28-R36 PolarHBondContact O-NH2 3.4Å; W28-R36 VanDerWaalsContact O-NH2 3.1Å; S29-R36 PolarHBondContact O-NH2 3.44Å; L31-R36 HydrophobicContact CB-CG 3.81Å; L31-R36 PolarHBondContact O-NE 2.99Å; L31-R36 PolarHBondContact O-NH2 3.23Å; V32-R36 PolarHBondContact O-N 3.43Å; V32-R36 VanDerWaalsContact O-N 3.14Å; P33-R36 WeakPolarHBondContact O-CB 3.41Å; P33-R36 PolarHBondContact O-N 3.47Å; P33-R36 VanDerWaalsContact O-N 3.13Å; R36-Y39 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-CG 3.31Å; R36-K40 WeakPolarHBondContact O-CG 3.35Å; R36-K40 PolarHBondContact O-N 3.37Å |
| 37 | D | 70.7 | Confident | 72.9 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 174.5 | -66.5 | -21.6 | 0 | 0 | 0 | 111.6 | P33 I34 Q35 Y39 K40 E41 | P33-D37 PolarHBondContact O-N 3.44Å; I34-D37 PolarHBondContact O-N 2.75Å; Q35-D37 VanDerWaalsContact C-N 3.31Å; D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.93Å; D37-K40 WeakPolarHBondContact O-CB 3.39Å; D37-K40 PolarHBondContact O-N 3.27Å; D37-E41 VanDerWaalsContact O-CG 3.29Å; D37-E41 WeakPolarHBondContact O-CG 3.39Å; D37-E41 PolarHBondContact O-N 2.8Å |
| 38 | L | 74.2 | Confident | 73 | Confident | 72 Ų | 72 | 59 Ų | 59 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.3 | -179.4 | 63.1 | 0 | 0 | 0 | 111.8 | I34 Q35 E41 V42 | I34-L38 WeakPolarHBondContact O-CB 3.23Å; I34-L38 PolarHBondContact O-N 3.21Å; Q35-L38 PolarHBondContact O-N 3.12Å; L38-E41 PolarHBondContact O-N 2.97Å; L38-V42 HydrophobicContact CD1-CG2 4.08Å; L38-V42 HydrophobicContact CG-CG2 4.36Å; L38-V42 WeakPolarHBondContact O-CB 3.47Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.19Å |
| 39 | Y | 80.1 | Confident | 72.9 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 175.6 | 173.5 | -96.7 | 0 | 0 | 0 | 111.9 | V21 F23 W28 Q35 R36 D37 E41 V42 M43 L66 | V21-Y39 HydrophobicContact CB-CE2 4.43Å; V21-Y39 WeakPolarHBondContact O-CE2 3.42Å; V21-Y39 VanDerWaalsContact O-CZ 3.3Å; V21-Y39 PolarHBondContact O-OH 3.34Å; F23-Y39 AromaticContact CD2-CD2 3.93Å; F23-Y39 HydrophobicContact CD2-CD2 3.93Å; F23-Y39 AromaticContact CD2-CE2 3.64Å; F23-Y39 HydrophobicContact CD2-CE2 3.64Å; F23-Y39 AromaticContact CE2-CD2 3.42Å; F23-Y39 HydrophobicContact CE2-CD2 3.42Å; F23-Y39 VanDerWaalsContact CE2-CD2 3.42Å; F23-Y39 AromaticContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CE2 3.53Å; F23-Y39 HydrophobicContact CE2-CG 4.19Å; W28-Y39 AromaticContact CH2-CD1 3.39Å; W28-Y39 HydrophobicContact CH2-CD1 3.39Å; W28-Y39 AromaticContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CE1 3.89Å; W28-Y39 HydrophobicContact CH2-CG 4.06Å; W28-Y39 AromaticContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD1 3.27Å; W28-Y39 HydrophobicContact CZ3-CD2 4.36Å; W28-Y39 AromaticContact CZ3-CE1 3.58Å; W28-Y39 HydrophobicContact CZ3-CE1 3.58Å; W28-Y39 AromaticContact CZ3-CG 3.66Å; W28-Y39 HydrophobicContact CZ3-CG 3.66Å; Q35-Y39 WeakPolarHBondContact O-CB 3.24Å; Q35-Y39 PolarHBondContact O-N 3.3Å; R36-Y39 PolarHBondContact O-N 3.21Å; D37-Y39 VanDerWaalsContact C-N 3.32Å; D37-Y39 PolarHBondContact O-N 2.93Å; Y39-E41 VanDerWaalsContact C-N 3.28Å; Y39-E41 PolarHBondContact O-N 2.86Å; Y39-V42 PolarHBondContact O-N 2.98Å; Y39-M43 HydrophobicContact CD1-CG 4.22Å; Y39-M43 HydrophobicContact CD2-CE 4.06Å; Y39-M43 HydrophobicContact CD2-CG 3.98Å; Y39-M43 HydrophobicContact CE1-CG 3.92Å; Y39-M43 HydrophobicContact CE2-CE 3.78Å; Y39-M43 HydrophobicContact CE2-CG 3.66Å; Y39-M43 HydrophobicContact CE2-SD 4.1Å; Y39-M43 HydrophobicContact CG-CG 4.31Å; Y39-M43 WeakPolarHBondContact O-CB 3.34Å; Y39-M43 VanDerWaalsContact O-CG 3.31Å; Y39-M43 WeakPolarHBondContact O-CG 3.2Å; Y39-M43 PolarHBondContact O-N 3.19Å; Y39-L66 HydrophobicContact CD1-CD2 4.15Å; Y39-L66 HydrophobicContact CE1-CD1 4.24Å; Y39-L66 HydrophobicContact CE1-CD2 4.04Å |
| 40 | K | 75.1 | Confident | 72.8 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 22% | 0.222 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.1 | -48.7 | 174.5 | -77.6 | 165.1 | 177.8 | -174.7 | 0 | 110.9 | R36 D37 L44 L66 | R36-K40 VanDerWaalsContact O-CG 3.31Å; R36-K40 WeakPolarHBondContact O-CG 3.35Å; R36-K40 PolarHBondContact O-N 3.37Å; D37-K40 WeakPolarHBondContact O-CB 3.39Å; D37-K40 PolarHBondContact O-N 3.27Å; K40-L44 WeakPolarHBondContact O-CB 3.46Å; K40-L44 WeakPolarHBondContact O-CD1 3.41Å; K40-L44 WeakPolarHBondContact O-CG 3.37Å; K40-L44 PolarHBondContact O-N 3.46Å; K40-L66 HydrophobicContact CB-CD2 4.28Å; K40-L66 HydrophobicContact CD-CD2 4.44Å; K40-L66 HydrophobicContact CG-CB 4.42Å; K40-L66 HydrophobicContact CG-CD2 3.36Å; K40-L66 HydrophobicContact CG-CG 4.38Å |
| 41 | E | 71.9 | Confident | 72.5 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | -178.8 | -71.4 | 178.2 | -178.8 | 0 | 0 | 112.7 | D37 L38 Y39 L44 E45 R226 | D37-E41 VanDerWaalsContact O-CG 3.29Å; D37-E41 WeakPolarHBondContact O-CG 3.39Å; D37-E41 PolarHBondContact O-N 2.8Å; L38-E41 PolarHBondContact O-N 2.97Å; Y39-E41 VanDerWaalsContact C-N 3.28Å; Y39-E41 PolarHBondContact O-N 2.86Å; E41-L44 PolarHBondContact O-N 3.45Å; E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 2.84Å; E41-R226 IonicContact OE1-CZ 3.07Å; E41-R226 IonicContact OE1-NE 3.05Å; E41-R226 PolarHBondContact OE1-NE 3.18Å; E41-R226 VanDerWaalsContact OE1-NE 3.08Å; E41-R226 IonicContact OE1-NH2 3.71Å; E41-R226 PolarHBondContact OE1-NH2 3.29Å; E41-R226 VanDerWaalsContact OE2-CD 3.24Å; E41-R226 WeakPolarHBondContact OE2-CD 3.22Å; E41-R226 IonicContact OE2-CZ 3.93Å; E41-R226 IonicContact OE2-NE 3.34Å; E41-R226 PolarHBondContact OE2-NE 3.13Å; E41-R226 IonicContact OE2-NH2 3.54Å |
| 42 | V | 75.8 | Confident | 72.4 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | -179.4 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L38 Y39 L44 E45 N46 | L38-V42 HydrophobicContact CD1-CG2 4.08Å; L38-V42 HydrophobicContact CG-CG2 4.36Å; L38-V42 WeakPolarHBondContact O-CB 3.47Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.19Å; Y39-V42 PolarHBondContact O-N 2.98Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.19Å; V42-E45 PolarHBondContact O-N 2.95Å; V42-N46 WeakPolarHBondContact O-CB 3.34Å; V42-N46 VanDerWaalsContact O-CG 3.25Å; V42-N46 PolarHBondContact O-N 3.37Å; V42-N46 PolarHBondContact O-OD1 3.49Å |
| 43 | M | 81.3 | Confident | 72.4 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 177.9 | -67.6 | -58.5 | 128.4 | 0 | 0 | 111.6 | V21 Y39 N46 Y47 I63 L66 | V21-M43 HydrophobicContact CB-CE 3.65Å; V21-M43 HydrophobicContact CG2-CE 3.9Å; Y39-M43 HydrophobicContact CD1-CG 4.22Å; Y39-M43 HydrophobicContact CD2-CE 4.06Å; Y39-M43 HydrophobicContact CD2-CG 3.98Å; Y39-M43 HydrophobicContact CE1-CG 3.92Å; Y39-M43 HydrophobicContact CE2-CE 3.78Å; Y39-M43 HydrophobicContact CE2-CG 3.66Å; Y39-M43 HydrophobicContact CE2-SD 4.1Å; Y39-M43 HydrophobicContact CG-CG 4.31Å; Y39-M43 WeakPolarHBondContact O-CB 3.34Å; Y39-M43 VanDerWaalsContact O-CG 3.31Å; Y39-M43 WeakPolarHBondContact O-CG 3.2Å; Y39-M43 PolarHBondContact O-N 3.19Å; M43-N46 PolarHBondContact O-N 3.01Å; M43-Y47 WeakPolarHBondContact O-CB 3.25Å; M43-Y47 PolarHBondContact O-N 3.01Å; M43-I63 HydrophobicContact CB-CD1 4.15Å; M43-I63 WeakPolarHBondContact O-CD1 3.23Å; M43-L66 HydrophobicContact CB-CD1 3.8Å; M43-L66 HydrophobicContact CG-CD1 4.36Å |
| 44 | L | 75.3 | Confident | 71.6 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 173.8 | -71.7 | 169 | 0 | 0 | 0 | 112.4 | K40 E41 V42 Y47 N48 I63 K67 | K40-L44 WeakPolarHBondContact O-CB 3.46Å; K40-L44 WeakPolarHBondContact O-CD1 3.41Å; K40-L44 WeakPolarHBondContact O-CG 3.37Å; K40-L44 PolarHBondContact O-N 3.46Å; E41-L44 PolarHBondContact O-N 3.45Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.19Å; L44-Y47 PolarHBondContact O-N 3.12Å; L44-N48 WeakPolarHBondContact O-CB 2.91Å; L44-N48 VanDerWaalsContact O-CG 3.23Å; L44-N48 PolarHBondContact O-N 3.48Å; L44-N48 PolarHBondContact O-ND2 3.29Å; L44-N48 VanDerWaalsContact O-ND2 3.13Å; L44-I63 HydrophobicContact CD2-CD1 4.34Å; L44-I63 HydrophobicContact CD2-CG2 4.02Å; L44-K67 HydrophobicContact CD2-CG 3.76Å |
| 45 | E | 76.6 | Confident | 71.4 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.2 | -172.3 | 174.1 | 178.5 | 0 | 0 | 111.6 | E41 V42 N48 S49 | E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 2.84Å; V42-E45 PolarHBondContact O-N 2.95Å; E45-N48 PolarHBondContact O-N 3.28Å; E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.26Å; E45-S49 PolarHBondContact O-OG 3.49Å |
| 46 | N | 72.9 | Confident | 70.6 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.214 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 174.8 | -72.1 | -2.6 | 0 | 0 | 0 | 111.1 | V19 V42 M43 N48 S49 I50 | V19-N46 HydrophobicContact CG1-CB 4.36Å; V19-N46 PolarHBondContact O-ND2 3.32Å; V42-N46 WeakPolarHBondContact O-CB 3.34Å; V42-N46 VanDerWaalsContact O-CG 3.25Å; V42-N46 PolarHBondContact O-N 3.37Å; V42-N46 PolarHBondContact O-OD1 3.49Å; M43-N46 PolarHBondContact O-N 3.01Å; N46-N48 PolarHBondContact O-N 3.44Å; N46-S49 WeakPolarHBondContact O-CB 3.37Å; N46-S49 PolarHBondContact O-N 2.91Å; N46-I50 WeakPolarHBondContact O-CG1 3.17Å; N46-I50 PolarHBondContact O-N 3.13Å |
| 47 | Y | 75.8 | Confident | 69.7 | Low | 22 Ų | 22 | 61.5 Ų | 61.5 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 176.7 | 176.6 | -105.7 | 0 | 0 | 0 | 112.1 | F16 M43 L44 S49 I50 V51 P60 I63 | F16-Y47 HydrophobicContact CD2-CD2 4.12Å; F16-Y47 HydrophobicContact CE2-CD2 4.4Å; M43-Y47 WeakPolarHBondContact O-CB 3.25Å; M43-Y47 PolarHBondContact O-N 3.01Å; L44-Y47 PolarHBondContact O-N 3.12Å; Y47-S49 PolarHBondContact O-N 3.26Å; Y47-I50 PolarHBondContact O-N 3.41Å; Y47-I50 VanDerWaalsContact O-N 3.16Å; Y47-V51 HydrophobicContact CD1-CG2 4.28Å; Y47-V51 HydrophobicContact CD2-CG2 4.37Å; Y47-V51 HydrophobicContact CE1-CG2 3.85Å; Y47-V51 HydrophobicContact CE2-CG2 3.92Å; Y47-V51 WeakPolarHBondContact O-CG2 3.35Å; Y47-V51 PolarHBondContact O-N 3.43Å; Y47-P60 HydrophobicContact CD2-CG 4.43Å; Y47-P60 VanDerWaalsContact CE2-CD 3.46Å; Y47-P60 HydrophobicContact CE2-CG 4.4Å; Y47-I63 HydrophobicContact CD1-CG2 3.81Å; Y47-I63 HydrophobicContact CD2-CG1 4.04Å; Y47-I63 HydrophobicContact CD2-CG2 4.38Å; Y47-I63 HydrophobicContact CE1-CG2 4.11Å; Y47-I63 HydrophobicContact CG-CD1 4.28Å; Y47-I63 HydrophobicContact CG-CG1 3.96Å; Y47-I63 HydrophobicContact CG-CG2 3.94Å |
| 48 | N | 73.6 | Confident | 69.1 | Low | 86 Ų | 86 | 63.1 Ų | 63.1 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -32.9 | 178.7 | -71.6 | -29.3 | 0 | 0 | 0 | 112.5 | L44 E45 N46 S52 | L44-N48 WeakPolarHBondContact O-CB 2.91Å; L44-N48 VanDerWaalsContact O-CG 3.23Å; L44-N48 PolarHBondContact O-N 3.48Å; L44-N48 PolarHBondContact O-ND2 3.29Å; L44-N48 VanDerWaalsContact O-ND2 3.13Å; E45-N48 PolarHBondContact O-N 3.28Å; N46-N48 PolarHBondContact O-N 3.44Å; N48-S52 WeakPolarHBondContact O-CB 3.48Å; N48-S52 PolarHBondContact O-N 2.99Å; N48-S52 PolarHBondContact O-OG 3.13Å |
| 49 | S | 72.1 | Confident | 68.5 | Low | 49 Ų | 49 | 63.2 Ų | 63.2 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | E45 N46 Y47 S52 L53 | E45-S49 WeakPolarHBondContact O-CB 3.46Å; E45-S49 PolarHBondContact O-N 3.26Å; E45-S49 PolarHBondContact O-OG 3.49Å; N46-S49 WeakPolarHBondContact O-CB 3.37Å; N46-S49 PolarHBondContact O-N 2.91Å; Y47-S49 PolarHBondContact O-N 3.26Å; S49-S52 PolarHBondContact O-N 3.3Å; S49-L53 PolarHBondContact O-N 3.04Å |
| 50 | I | 68.9 | Low | 68 | Low | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.6 | -67.1 | 162.3 | 0 | 0 | 0 | 111.2 | F16 V19 N46 Y47 S52 L53 V57 | F16-I50 HydrophobicContact CB-CD1 4.41Å; F16-I50 HydrophobicContact CD2-CD1 3.9Å; V19-I50 HydrophobicContact CB-CD1 4.26Å; V19-I50 HydrophobicContact CG2-CD1 4.05Å; N46-I50 WeakPolarHBondContact O-CG1 3.17Å; N46-I50 PolarHBondContact O-N 3.13Å; Y47-I50 PolarHBondContact O-N 3.41Å; Y47-I50 VanDerWaalsContact O-N 3.16Å; I50-S52 VanDerWaalsContact C-N 3.25Å; I50-S52 PolarHBondContact O-N 3.37Å; I50-L53 WeakPolarHBondContact O-CB 3.38Å; I50-L53 PolarHBondContact O-N 2.79Å; I50-L53 VanDerWaalsContact O-N 3.07Å; I50-V57 HydrophobicContact CG2-CG2 3.89Å |
| 51 | V | 66.9 | Low | 67.3 | Low | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | Y47 L53 G54 | Y47-V51 HydrophobicContact CD1-CG2 4.28Å; Y47-V51 HydrophobicContact CD2-CG2 4.37Å; Y47-V51 HydrophobicContact CE1-CG2 3.85Å; Y47-V51 HydrophobicContact CE2-CG2 3.92Å; Y47-V51 WeakPolarHBondContact O-CG2 3.35Å; Y47-V51 PolarHBondContact O-N 3.43Å; V51-L53 PolarHBondContact O-N 3.21Å; V51-G54 PolarHBondContact O-N 3.31Å; V51-G54 VanDerWaalsContact O-N 3.12Å |
| 52 | S | 68.4 | Low | 66.7 | Low | 102 Ų | 102 | 65.7 Ų | 65.7 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.3 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | N48 S49 I50 G54 | N48-S52 WeakPolarHBondContact O-CB 3.48Å; N48-S52 PolarHBondContact O-N 2.99Å; N48-S52 PolarHBondContact O-OG 3.13Å; S49-S52 PolarHBondContact O-N 3.3Å; I50-S52 VanDerWaalsContact C-N 3.25Å; I50-S52 PolarHBondContact O-N 3.37Å; S52-G54 PolarHBondContact O-N 2.89Å |
| 53 | L | 68.1 | Low | 66.4 | Low | 136 Ų | 136 | 63 Ų | 63 | 71% | 0.712 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.2 | 172.7 | -61.6 | 173.5 | 0 | 0 | 0 | 113 | S49 I50 V51 | S49-L53 PolarHBondContact O-N 3.04Å; I50-L53 WeakPolarHBondContact O-CB 3.38Å; I50-L53 PolarHBondContact O-N 2.79Å; I50-L53 VanDerWaalsContact O-N 3.07Å; V51-L53 PolarHBondContact O-N 3.21Å |
| 54 | G | 52.8 | Low | 65.9 | Low | 66 Ų | 66 | 67.3 Ų | 67.3 | 68% | 0.68 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 14.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V51 S52 | V51-G54 PolarHBondContact O-N 3.31Å; V51-G54 VanDerWaalsContact O-N 3.12Å; S52-G54 PolarHBondContact O-N 2.89Å |
| 55 | L | 55.2 | Low | 65.3 | Low | 69 Ų | 69 | 67.2 Ų | 67.2 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | trans | -88.2 | 126 | 177.3 | -62.8 | 176.4 | 0 | 0 | 0 | 110.3 | V57 | L55-V57 HydrophobicContact CB-CG2 4.02Å; L55-V57 PolarHBondContact O-N 3.43Å | ||
| 56 | P | 49.7 | Very low | 65 | Low | 128 Ų | 128 | 62.6 Ų | 62.6 | 83% | 0.831 | 37% | 0.37 | S | S | * | . | trans | -73.7 | 91.8 | 172 | 28.7 | -30.5 | 0 | 0 | 0 | 109.1 | ||||
| 57 | V | 57.3 | Low | 64.7 | Low | 36 Ų | 36 | 66.1 Ų | 66.1 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | trans | -100.1 | 121.2 | 175 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | I50 L55 Q59 | I50-V57 HydrophobicContact CG2-CG2 3.89Å; L55-V57 HydrophobicContact CB-CG2 4.02Å; L55-V57 PolarHBondContact O-N 3.43Å; V57-Q59 PolarHBondContact O-N 3.06Å | ||
| 58 | P | 59.3 | Low | 63.9 | Low | 112 Ų | 112 | 73 Ų | 73 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | trans | -54.3 | 137.7 | 170.3 | -13.1 | 23 | 0 | 0 | 0 | 108.6 | P60 | P58-P60 WeakPolarHBondContact O-CD 3.48Š| ||
| 59 | Q | 61 | Low | 63.1 | Low | 73 Ų | 73 | 71.2 Ų | 71.2 | 34% | 0.341 | 41% | 0.411 | S | S | . | . | trans | -59.1 | 113.9 | -178.4 | -175.7 | 174.9 | -24.1 | 0 | 0 | 109.5 | V57 I63 F64 | V57-Q59 PolarHBondContact O-N 3.06Å; Q59-I63 HydrophobicContact CG-CB 4.26Å; Q59-I63 HydrophobicContact CG-CG2 3.93Å; Q59-F64 HydrophobicContact CG-CB 4.46Å; Q59-F64 VanDerWaalsContact NE2-CA 3.28Å | ||
| 60 | P | 69.8 | Low | 62.3 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | trans | -63.4 | 144.7 | -176.5 | -23.6 | 35.3 | 0 | 0 | 0 | 110.5 | F16 Y47 P58 V62 I63 F64 | F16-P60 HydrophobicContact CB-CG 3.8Å; F16-P60 HydrophobicContact CD1-CB 3.72Å; F16-P60 HydrophobicContact CD1-CG 3.49Å; F16-P60 VanDerWaalsContact CD1-CG 3.49Å; F16-P60 HydrophobicContact CD2-CG 4.42Å; F16-P60 HydrophobicContact CE1-CB 4.12Å; F16-P60 HydrophobicContact CE1-CG 4.18Å; F16-P60 HydrophobicContact CG-CB 4.38Å; F16-P60 HydrophobicContact CG-CG 3.64Å; Y47-P60 HydrophobicContact CD2-CG 4.43Å; Y47-P60 VanDerWaalsContact CE2-CD 3.46Å; Y47-P60 HydrophobicContact CE2-CG 4.4Å; P58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-V62 PolarHBondContact O-N 3.27Å; P60-V62 VanDerWaalsContact O-N 3.12Å; P60-I63 HydrophobicContact CB-CG1 4.41Å; P60-I63 HydrophobicContact CG-CG1 4.4Å; P60-I63 WeakPolarHBondContact O-CA 3.23Å; P60-I63 WeakPolarHBondContact O-CB 3.38Å; P60-I63 PolarHBondContact O-N 3.04Å; P60-F64 PolarHBondContact O-N 3.34Å | ||
| 61 | D | 60.7 | Low | 61.6 | Low | 120 Ų | 120 | 79.1 Ų | 79.1 | 64% | 0.642 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -55.4 | -36.1 | -176.4 | -67.6 | -37.2 | 0 | 0 | 0 | 112.2 | I63 F64 Q65 | D61-I63 PolarHBondContact O-N 3.07Å; D61-F64 PolarHBondContact O-N 3.18Å; D61-Q65 WeakPolarHBondContact O-CB 3.37Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.88Å |
| 62 | V | 59.4 | Low | 61 | Low | 36 Ų | 36 | 76.3 Ų | 76.3 | 22% | 0.218 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | P60 Q65 L66 | P60-V62 PolarHBondContact O-N 3.27Å; P60-V62 VanDerWaalsContact O-N 3.12Å; V62-Q65 PolarHBondContact O-N 3.15Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CD1 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.22Å |
| 63 | I | 69.5 | Low | 60.4 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 177.7 | -65.2 | -61.2 | 0 | 0 | 0 | 111.8 | F16 M43 L44 Y47 Q59 P60 D61 L66 K67 | F16-I63 HydrophobicContact CE1-CD1 4.24Å; F16-I63 HydrophobicContact CE1-CG1 3.88Å; F16-I63 HydrophobicContact CE2-CD1 3.83Å; F16-I63 HydrophobicContact CE2-CG1 3.89Å; F16-I63 HydrophobicContact CZ-CD1 3.42Å; F16-I63 VanDerWaalsContact CZ-CD1 3.42Å; F16-I63 HydrophobicContact CZ-CG1 3.49Å; F16-I63 VanDerWaalsContact CZ-CG1 3.49Å; M43-I63 HydrophobicContact CB-CD1 4.15Å; M43-I63 WeakPolarHBondContact O-CD1 3.23Å; L44-I63 HydrophobicContact CD2-CD1 4.34Å; L44-I63 HydrophobicContact CD2-CG2 4.02Å; Y47-I63 HydrophobicContact CD1-CG2 3.81Å; Y47-I63 HydrophobicContact CD2-CG1 4.04Å; Y47-I63 HydrophobicContact CD2-CG2 4.38Å; Y47-I63 HydrophobicContact CE1-CG2 4.11Å; Y47-I63 HydrophobicContact CG-CD1 4.28Å; Y47-I63 HydrophobicContact CG-CG1 3.96Å; Y47-I63 HydrophobicContact CG-CG2 3.94Å; Q59-I63 HydrophobicContact CG-CB 4.26Å; Q59-I63 HydrophobicContact CG-CG2 3.93Å; P60-I63 HydrophobicContact CB-CG1 4.41Å; P60-I63 HydrophobicContact CG-CG1 4.4Å; P60-I63 WeakPolarHBondContact O-CA 3.23Å; P60-I63 WeakPolarHBondContact O-CB 3.38Å; P60-I63 PolarHBondContact O-N 3.04Å; D61-I63 PolarHBondContact O-N 3.07Å; I63-L66 HydrophobicContact CD1-CD1 4.3Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.11Å |
| 64 | F | 70.6 | Confident | 58.9 | Low | 95 Ų | 95 | 76.6 Ų | 76.6 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.1 | -178.6 | -100.7 | 0 | 0 | 0 | 112.3 | Q59 P60 D61 K67 R68 | Q59-F64 HydrophobicContact CG-CB 4.46Å; Q59-F64 VanDerWaalsContact NE2-CA 3.28Å; P60-F64 PolarHBondContact O-N 3.34Å; D61-F64 PolarHBondContact O-N 3.18Å; F64-K67 PolarHBondContact O-N 3.04Å; F64-R68 PolarHBondContact O-N 3.14Å |
| 65 | Q | 63.1 | Low | 58.1 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 19% | 0.192 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 179 | -67.2 | 177.5 | 48.1 | 0 | 0 | 112.1 | D61 V62 K67 R68 G69 D70 K71 P72 W73 | D61-Q65 WeakPolarHBondContact O-CB 3.37Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.88Å; V62-Q65 PolarHBondContact O-N 3.15Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 2.8Å; Q65-R68 PolarHBondContact O-N 3.32Å; Q65-R68 VanDerWaalsContact O-N 3.15Å; Q65-G69 PolarHBondContact O-N 3.06Å; Q65-D70 PolarHBondContact O-N 2.76Å; Q65-K71 PolarHBondContact OE1-O 3.26Å; Q65-P72 PolarHBondContact OE1-O 2.88Å; Q65-W73 VanDerWaalsContact OE1-N 3.15Å |
| 66 | L | 69.4 | Low | 57 | Low | 9 Ų | 9 | 83.9 Ų | 83.9 | 5% | 0.047 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 175.9 | -66.8 | 168 | 0 | 0 | 0 | 112.5 | Y39 K40 M43 V62 I63 P72 | Y39-L66 HydrophobicContact CD1-CD2 4.15Å; Y39-L66 HydrophobicContact CE1-CD1 4.24Å; Y39-L66 HydrophobicContact CE1-CD2 4.04Å; K40-L66 HydrophobicContact CB-CD2 4.28Å; K40-L66 HydrophobicContact CD-CD2 4.44Å; K40-L66 HydrophobicContact CG-CB 4.42Å; K40-L66 HydrophobicContact CG-CD2 3.36Å; K40-L66 HydrophobicContact CG-CG 4.38Å; M43-L66 HydrophobicContact CB-CD1 3.8Å; M43-L66 HydrophobicContact CG-CD1 4.36Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CD1 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.42Å; V62-L66 PolarHBondContact O-N 3.22Å; I63-L66 HydrophobicContact CD1-CD1 4.3Å; L66-P72 HydrophobicContact CD2-CG 3.84Å |
| 67 | K | 67 | Low | 56.3 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -30.1 | 175.2 | -76.4 | -173.8 | -171.8 | 171.6 | 0 | 113.6 | L44 I63 F64 Q65 G69 | L44-K67 HydrophobicContact CD2-CG 3.76Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.11Å; F64-K67 PolarHBondContact O-N 3.04Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 2.8Å; K67-G69 VanDerWaalsContact C-N 3.33Å |
| 68 | R | 59.6 | Low | 55.1 | Low | 167 Ų | 167 | 93.4 Ų | 93.4 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -84.1 | -9.2 | 179 | -67.6 | -177.9 | 77.3 | -171.5 | 3 | 113.4 | F64 Q65 D70 | F64-R68 PolarHBondContact O-N 3.14Å; Q65-R68 PolarHBondContact O-N 3.32Å; Q65-R68 VanDerWaalsContact O-N 3.15Å; R68-D70 WeakPolarHBondContact CB-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.75Å |
| 69 | G | 55.4 | Low | 53.6 | Low | 49 Ų | 49 | 92 Ų | 92 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 6.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q65 K67 | Q65-G69 PolarHBondContact O-N 3.06Å; K67-G69 VanDerWaalsContact C-N 3.33Å |
| 70 | D | 56.9 | Low | 52 | Low | 76 Ų | 76 | 94.2 Ų | 94.2 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | trans | -75.4 | 157.7 | 179.1 | -63.4 | -35.2 | 0 | 0 | 0 | 111 | Q65 R68 | Q65-D70 PolarHBondContact O-N 2.76Å; R68-D70 WeakPolarHBondContact CB-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.75Å | ||
| 71 | K | 53.7 | Low | 50.2 | Low | 152 Ų | 152 | 102.2 Ų | 102.2 | 66% | 0.661 | 54% | 0.539 | S | S | * | . | trans | -66.2 | 136.2 | 169.6 | -67.3 | 179 | -177.2 | 176.4 | 0 | 108 | Q65 W73 | Q65-K71 PolarHBondContact OE1-O 3.26Å; K71-W73 PolarHBondContact O-N 3.28Å | ||
| 72 | P | 53.9 | Low | 48.6 | Very low | 5 Ų | 5 | 103.2 Ų | 103.2 | 3% | 0.032 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -70.7 | 6.5 | -166.5 | -15.6 | 30.8 | 0 | 0 | 0 | 116.2 | W28 Q65 L66 | W28-P72 HydrophobicContact CZ2-CG 4.34Å; Q65-P72 PolarHBondContact OE1-O 2.88Å; L66-P72 HydrophobicContact CD2-CG 3.84Å |
| 73 | W | 56.3 | Low | 47 | Very low | 80 Ų | 80 | 111.1 Ų | 111.1 | 30% | 0.303 | 57% | 0.566 | S | S | . | * | trans | -151.2 | 104.7 | 179.8 | 19.5 | 85.2 | 0 | 0 | 0 | 109.9 | V22 F23 W28 Q65 K71 | V22-W73 HydrophobicContact CG1-CZ3 4.26Å; F23-W73 HydrophobicContact CB-CH2 4.44Å; W28-W73 HydrophobicContact CB-CZ2 4.24Å; W28-W73 HydrophobicContact CD2-CZ2 4.06Å; W28-W73 HydrophobicContact CE3-CZ2 4.17Å; W28-W73 HydrophobicContact CG-CZ2 4.09Å; Q65-W73 VanDerWaalsContact OE1-N 3.15Å; K71-W73 PolarHBondContact O-N 3.28Å | ||
| 74 | M | 36.6 | Very low | 44.8 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 80% | 0.803 | 61% | 0.607 | S | S | * | * | trans | -145.2 | 61.2 | 161.1 | -119.5 | -158 | -57.2 | 0 | 0 | 109.5 | ||||
| 75 | V | 35.1 | Very low | 42.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | trans | -152.5 | 118.5 | 157.1 | -175.8 | 0 | 0 | 0 | 0 | 108 | L77 | V75-L77 PolarHBondContact O-N 2.88Š| ||
| 76 | D | 32.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 66% | 0.657 | S | S | * | * | trans | -65.6 | 119.2 | 172 | -67.4 | -50.2 | 0 | 0 | 0 | 110.4 | H78 | D76-H78 VanDerWaalsContact C-N 3.35Å; D76-H78 PolarHBondContact O-N 3.13Å | ||
| 77 | L | 35.5 | Very low | 38.5 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | trans | -82.4 | 84 | 162.3 | -83.8 | 162.9 | 0 | 0 | 0 | 108.3 | V75 | V75-L77 PolarHBondContact O-N 2.88Š| ||
| 78 | H | 32.3 | Very low | 36.5 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | trans | -132.1 | 109.8 | 153.9 | -94 | 59.6 | 0 | 0 | 0 | 108.6 | D76 | D76-H78 VanDerWaalsContact C-N 3.35Å; D76-H78 PolarHBondContact O-N 3.13Å | ||
| 79 | G | 26.3 | Very low | 34.6 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | -156.4 | 92.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 80 | S | 27.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -155 | 121.3 | 143.8 | 57 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 81 | E | 33.7 | Very low | 31.5 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -55.6 | 162 | -178.1 | -59.8 | 162.8 | 108.2 | 0 | 0 | 112.9 | ||||
| 82 | E | 26.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 139 Ų | 139 | 66% | 0.659 | 74% | 0.744 | S | S | * | * | cis | -159.7 | 153.5 | 44.7 | -74.3 | -174.4 | 115.5 | 0 | 0 | 113.1 | ||||
| 83 | R | 26.2 | Very low | 28.7 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 30.5 | 135.9 | 146.1 | -55.8 | -174.7 | -167.5 | 102.9 | 11.8 | 119.8 | ||||
| 84 | E | 22 | Very low | 27.2 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | -163.5 | 156.6 | 57 | -75.3 | -179 | 144.3 | 0 | 0 | 111.4 | |||||
| 85 | W | 20.7 | Very low | 26.8 | Very low | 224 Ų | 224 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -109.6 | 152.2 | 163.7 | -97.7 | 74.9 | 0 | 0 | 0 | 108.3 | E87 | W85-E87 HydrophobicContact CE3-CG 4.29Å; W85-E87 HydrophobicContact CZ3-CG 4.38Å | ||
| 86 | P | 27.6 | Very low | 26.4 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | -144.8 | 167.9 | 92.5 | 31.5 | -10.6 | 0 | 0 | 0 | 116.9 | |||||
| 87 | E | 22.7 | Very low | 26 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -56.6 | 156.2 | -169.6 | -57.8 | 164.2 | 139.9 | 0 | 0 | 117.9 | W85 | W85-E87 HydrophobicContact CE3-CG 4.29Å; W85-E87 HydrophobicContact CZ3-CG 4.38Å | ||
| 88 | S | 24.6 | Very low | 25.4 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 157.7 | 138 | 106.9 | 62.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 89 | V | 21.3 | Very low | 25 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 43.1 | 132.1 | 152.8 | -122.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 90 | S | 23.6 | Very low | 24.9 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 175 | 133.5 | 55.5 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 91 | L | 22.6 | Very low | 24.7 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | 53.9 | 129.5 | 104.1 | -151.3 | 76.7 | 0 | 0 | 0 | 119.9 | |||||
| 92 | A | 23.8 | Very low | 24.1 | Very low | 76 Ų | 76 | 149.8 Ų | 149.8 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | 76.4 | 143.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 93 | Q | 25 | Very low | 24.2 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | cis | -166.7 | 166 | 26.3 | -130.2 | 149.7 | -12.9 | 0 | 0 | 112 | ||||
| 94 | E | 24.6 | Very low | 24.5 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | -69.4 | 177.1 | -173.8 | -57.8 | 168.3 | 134.9 | 0 | 0 | 118.3 | ||||
| 95 | K | 28.6 | Very low | 24.6 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | 95.4 | 126.9 | 152.9 | -53 | -178.2 | -169.8 | 177.2 | 0 | 115 | ||||
| 96 | N | 26.1 | Very low | 24.8 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | cis | -147.6 | 141 | 29.3 | -92 | -28.7 | 0 | 0 | 0 | 109.7 | ||||
| 97 | C | 24.7 | Very low | 24.7 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | 60.1 | 126.5 | 74.9 | -90.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 98 | I | 24.1 | Very low | 24.8 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -159.8 | 155.6 | 30.7 | -61 | -173.9 | 0 | 0 | 0 | 111 | F100 | I98-F100 HydrophobicContact CG2-CD2 4.43Å; I98-F100 HydrophobicContact CG2-CE2 4.48Å | ||
| 99 | C | 24 | Very low | 24.8 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 69% | 0.689 | 77% | 0.766 | S | S | * | * | trans | -53 | 166.8 | 166.2 | -63.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 100 | F | 22.6 | Very low | 25.3 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | -167.4 | 123.1 | 79.7 | -96 | -92.7 | 0 | 0 | 0 | 107.5 | I98 | I98-F100 HydrophobicContact CG2-CD2 4.43Å; I98-F100 HydrophobicContact CG2-CE2 4.48Å | |||
| 101 | L | 24.2 | Very low | 25.4 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 44.7 | 115.5 | 88.7 | -66.4 | 178.5 | 0 | 0 | 0 | 114.9 | |||||
| 102 | F | 21.6 | Very low | 25.4 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | -174.8 | 140.2 | 108.5 | -130.6 | -109.7 | 0 | 0 | 0 | 113.1 | P104 | F102-P104 HydrophobicContact CE1-CG 4.38Š| |||
| 103 | V | 26.9 | Very low | 25.5 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -117.5 | 142.4 | 162.1 | 174.8 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 104 | P | 34.1 | Very low | 25.4 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | -156.7 | 151.4 | 93.8 | 35.9 | -12.4 | 0 | 0 | 0 | 119 | F102 | F102-P104 HydrophobicContact CE1-CG 4.38Š| |||
| 105 | D | 24.1 | Very low | 25.3 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 23.6 | 145.2 | 136.6 | -96.2 | -19 | 0 | 0 | 0 | 124.6 | ||||
| 106 | W | 23.9 | Very low | 24.9 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | 132 | 150.4 | 124 | 99.1 | -87.2 | 0 | 0 | 0 | 118.6 | T108 | W106-T108 HydrophobicContact CZ3-CG2 4.26Š| |||
| 107 | E | 25.1 | Very low | 24.9 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -70 | 161.6 | -162.3 | -55.3 | 174.5 | 134.4 | 0 | 0 | 117.7 | ||||
| 108 | T | 25.3 | Very low | 25 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 148 | 140.3 | 126.1 | 43.4 | 0 | 0 | 0 | 0 | 114.9 | W106 | W106-T108 HydrophobicContact CZ3-CG2 4.26Š| |||
| 109 | K | 24.9 | Very low | 24.9 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -79.2 | 157.1 | 165.1 | -103.7 | -178.4 | 179.9 | -177.9 | 0 | 110 | ||||
| 110 | P | 32.2 | Very low | 25 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | -151.8 | -155.2 | 79 | 38.6 | -15.1 | 0 | 0 | 0 | 115.9 | |||||
| 111 | E | 24.2 | Very low | 25.1 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -84.2 | 155.4 | -146 | -69.4 | -169.5 | 152.5 | 0 | 0 | 121.3 | ||||
| 112 | I | 24.5 | Very low | 25 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | 42.8 | 118.6 | 135.3 | -49 | 169.1 | 0 | 0 | 0 | 121.7 | ||||
| 113 | H | 24.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | -174.3 | 152.1 | 108.4 | -117.5 | -84.2 | 0 | 0 | 0 | 113.6 | |||||
| 114 | D | 22.6 | Very low | 24.9 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -18.2 | 142.6 | 176.2 | -68.4 | -58.5 | 0 | 0 | 0 | 122.6 | ||||
| 115 | A | 22.5 | Very low | 24.5 | Very low | 89 Ų | 89 | 153.3 Ų | 153.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 170.5 | 114.7 | 103.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 116 | S | 22 | Very low | 24.5 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 49.4 | 123.4 | 130.1 | -47.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 117 | D | 24.9 | Very low | 24.5 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 70.2 | 107.9 | 132.5 | -70.3 | -36 | 0 | 0 | 0 | 121.2 | ||||
| 118 | K | 27 | Very low | 24.5 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | -175.9 | 124 | 97.2 | -95.2 | 170.2 | -171.6 | 174 | 0 | 113.8 | |||||
| 119 | K | 23.1 | Very low | 24.6 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -0.5 | 136.5 | 152.3 | -69.1 | 175.5 | 174.3 | -178.9 | 0 | 120.3 | ||||
| 120 | S | 25.9 | Very low | 24.6 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | -146.4 | 126.4 | 123.3 | 62.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 121 | E | 23.6 | Very low | 24.3 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 156.4 | 177.2 | -63.3 | 175.4 | 136 | 0 | 0 | 112.7 | ||||
| 122 | G | 23.3 | Very low | 24.4 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 174.6 | 65.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 123 | S | 23.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 70 | 103.4 | 147 | -152 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 124 | L | 22.7 | Very low | 24.8 | Very low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -52.3 | 136.2 | 148.6 | -89.6 | 144.4 | 0 | 0 | 0 | 112.7 | ||||
| 125 | R | 24.7 | Very low | 24.9 | Very low | 247 Ų | 247 | 145.1 Ų | 145.1 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -141.7 | 119 | 133.5 | -117.8 | 179.1 | -160.1 | -102.7 | 2.2 | 111.9 | ||||
| 126 | E | 23.7 | Very low | 25.2 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -58.3 | 149.5 | 167.6 | -65.6 | 164 | 108.6 | 0 | 0 | 112.1 | ||||
| 127 | C | 24.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 92% | 0.919 | 82% | 0.818 | S | S | * | * | trans | -143.8 | 83.2 | 141.5 | -91.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 128 | L | 25.3 | Very low | 25.4 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | 9.9 | 129.3 | 146.1 | -63.3 | 165 | 0 | 0 | 0 | 118.9 | ||||
| 129 | G | 27.3 | Very low | 25.3 | Very low | 76 Ų | 76 | 153.5 Ų | 153.5 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | -64.3 | 136.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 130 | R | 24.8 | Very low | 25.4 | Very low | 236 Ų | 236 | 150.8 Ų | 150.8 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -89.3 | 111 | 166.5 | -82.1 | -175 | -175.7 | -119.1 | 1.6 | 110.4 | ||||
| 131 | Q | 26.9 | Very low | 25.3 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 142.1 | 150.8 | -66.9 | 173.6 | 10.4 | 0 | 0 | 109 | P133 | Q131-P133 WeakPolarHBondContact O-CD 3.26Š|
| 132 | S | 25.8 | Very low | 25.6 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 124.2 | 171.9 | -62.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 133 | P | 28.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 138.7 | 169.3 | -2.7 | 20.7 | 0 | 0 | 0 | 109.7 | Q131 | Q131-P133 WeakPolarHBondContact O-CD 3.26Š|
| 134 | L | 28.4 | Very low | 25.9 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 123.1 | 162.4 | -71.7 | 158.7 | 0 | 0 | 0 | 107.5 | ||
| 135 | C | 25.9 | Very low | 26 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.7 | 174.6 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 136 | P | 28.3 | Very low | 26.1 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 142.7 | 166.3 | -7.2 | 24.9 | 0 | 0 | 0 | 110.9 | ||
| 137 | K | 26.2 | Very low | 26.2 | Very low | 212 Ų | 212 | 154.3 Ų | 154.3 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135 | 172 | -72.2 | 176.4 | 175.9 | -179.3 | 0 | 109.8 | ||
| 138 | F | 24.1 | Very low | 26.2 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -118.3 | 133.4 | 167 | -107.5 | -89.8 | 0 | 0 | 0 | 110 | ||||
| 139 | E | 25 | Very low | 26.2 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -73.9 | 138.6 | 172.9 | -70.6 | 174.8 | 150.3 | 0 | 0 | 110.2 | ||||
| 140 | V | 24.8 | Very low | 26 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -100.2 | 113.1 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 141 | H | 23.8 | Very low | 26 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -89.8 | 124.7 | 158.3 | -98.4 | -48.3 | 0 | 0 | 0 | 109.5 | ||||
| 142 | T | 30.3 | Very low | 25.9 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -66.4 | 150.8 | 163.7 | 41.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 143 | P | 28.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | -143 | 151.8 | 118.8 | 28.9 | -10.2 | 0 | 0 | 0 | 115.9 | |||||
| 144 | N | 25.7 | Very low | 25.9 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | trans | -67.3 | 152.2 | 166.7 | -92.7 | -28.9 | 0 | 0 | 0 | 112.5 | ||||
| 145 | G | 25.1 | Very low | 25.6 | Very low | 84 Ų | 84 | 150.5 Ų | 150.5 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | 177.1 | 128.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 146 | R | 26.7 | Very low | 25.5 | Very low | 244 Ų | 244 | 148.8 Ų | 148.8 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -117.6 | 167.4 | -172.5 | -153.9 | -175.7 | -159.3 | -158.5 | 6.5 | 110 | ||||
| 147 | M | 25 | Very low | 25.3 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | 87 | 130.3 | 178.5 | -74.3 | 147.3 | 53.8 | 0 | 0 | 114.1 | ||||
| 148 | G | 24.1 | Very low | 25.1 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | cis | 121.6 | 123.4 | 31.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 149 | T | 24.7 | Very low | 25.2 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | -177.8 | 158.6 | 71.2 | 39.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 150 | E | 23.8 | Very low | 25.4 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 70% | 0.696 | 83% | 0.831 | S | S | * | * | trans | 42.1 | 151.4 | 144.6 | -66.3 | -177.3 | 110.2 | 0 | 0 | 122.1 | ||||
| 151 | K | 24.8 | Very low | 25.4 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | cis | -172.4 | 148.3 | -9.5 | -108.3 | 171.9 | -179 | 159.3 | 0 | 104.6 | ||||
| 152 | Q | 24.8 | Very low | 25.7 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | 156.7 | 120.4 | 126.8 | -86.4 | 176.7 | 7.7 | 0 | 0 | 111.8 | |||||
| 153 | S | 25.7 | Very low | 25.6 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | trans | -78.8 | 172.6 | 161.9 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 154 | P | 27.6 | Very low | 26 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | -132.7 | 142.4 | 114.5 | 24.3 | -7.9 | 0 | 0 | 0 | 114.2 | |||||
| 155 | S | 22.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -77.4 | 146.9 | 170.2 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 156 | G | 23.8 | Very low | 27.2 | Very low | 81 Ų | 81 | 157.5 Ų | 157.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -145.8 | 100.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 157 | E | 24.8 | Very low | 27.8 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 147.3 | 173.7 | -76.2 | -179.7 | 113.2 | 0 | 0 | 111.2 | ||||
| 158 | T | 22.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | -162.3 | 125.1 | 117 | 16 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 159 | R | 25.5 | Very low | 29.2 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 83.8 | 86 | 135.5 | -143.7 | 169.4 | -170.7 | 175.3 | 1.7 | 120.7 | ||||
| 160 | K | 28.7 | Very low | 29.8 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 13.8 | 120.8 | 133.6 | -60.7 | 179.3 | -178 | 176.4 | 0 | 118.3 | ||||
| 161 | K | 25.2 | Very low | 30.4 | Very low | 215 Ų | 215 | 158.1 Ų | 158.1 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | -143.5 | 115.2 | 127.3 | -102.4 | 177.7 | -175.5 | 176.6 | 0 | 109.4 | |||||
| 162 | S | 29.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 158.6 Ų | 158.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 127.9 | 172.8 | 46 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 163 | L | 28.2 | Very low | 31.9 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -139.5 | 105.7 | 152.5 | -88.1 | 170.7 | 0 | 0 | 0 | 108.9 | ||||
| 164 | S | 37.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -73 | 129.4 | 167.4 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 165 | R | 38 | Very low | 33.2 | Very low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | 175.6 | 83.5 | 142.7 | -100.9 | 162 | 89.5 | 162.2 | 5.1 | 109.2 | ||||
| 166 | D | 38.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | trans | -143.8 | 52.1 | 164.2 | -154.7 | 10.3 | 0 | 0 | 0 | 112.9 | ||||
| 167 | K | 39.1 | Very low | 34.7 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -107.2 | 6.9 | 168.8 | -67.4 | -172 | 179.2 | -179.2 | 0 | 112.8 | ||
| 168 | G | 38.9 | Very low | 35.5 | Very low | 42 Ų | 42 | 150.1 Ų | 150.1 | 43% | 0.433 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -101.8 | -15.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 169 | L | 40.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -92.9 | -27.4 | -177.9 | -134.6 | 71.7 | 0 | 0 | 0 | 113.2 | S173 | L169-S173 PolarHBondContact O-N 3.19Å; L169-S173 PolarHBondContact O-OG 3.29Å |
| 170 | R | 36.8 | Very low | 37.6 | Very low | 213 Ų | 213 | 145.3 Ų | 145.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.1 | -25.1 | 175.9 | -80 | -172.3 | -174.4 | -110.3 | 1.4 | 114.9 | S173 A174 | R170-S173 PolarHBondContact O-OG 3.31Å; R170-A174 PolarHBondContact O-N 3.26Å |
| 171 | R | 36.2 | Very low | 38.1 | Very low | 212 Ų | 212 | 139.5 Ų | 139.5 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.1 | -29.2 | 176.4 | -91.7 | -172.2 | 175.4 | -159.9 | -0.9 | 112.9 | L175 | R171-L175 PolarHBondContact O-N 3.1Å; R171-L175 VanDerWaalsContact O-N 3.1Å |
| 172 | R | 36 | Very low | 39.2 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.8 | -35.4 | 173.9 | -98 | 179.7 | -81.4 | -154.1 | -2.9 | 112.3 | A174 S176 | R172-A174 VanDerWaalsContact C-N 3.35Å; R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.41Å; R172-S176 PolarHBondContact O-N 3.13Å; R172-S176 PolarHBondContact O-OG 3.41Å |
| 173 | S | 44.2 | Very low | 40.4 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 47% | 0.469 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -73.7 | -22.7 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | L169 R170 R177 | L169-S173 PolarHBondContact O-N 3.19Å; L169-S173 PolarHBondContact O-OG 3.29Å; R170-S173 PolarHBondContact O-OG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.5Å |
| 174 | A | 40.4 | Very low | 41.7 | Very low | 48 Ų | 48 | 139.5 Ų | 139.5 | 40% | 0.397 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -77.4 | -45.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R170 R172 R177 E178 | R170-A174 PolarHBondContact O-N 3.26Å; R172-A174 VanDerWaalsContact C-N 3.35Å; A174-R177 PolarHBondContact O-N 2.85Å; A174-R177 VanDerWaalsContact O-N 3.16Å; A174-E178 PolarHBondContact O-N 3.49Å; A174-E178 VanDerWaalsContact O-N 3.15Å |
| 175 | L | 41.2 | Very low | 43.2 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.9 | -33.5 | 179.9 | -147.7 | 91.4 | 0 | 0 | 0 | 112.7 | R171 R177 E178 I179 | R171-L175 PolarHBondContact O-N 3.1Å; R171-L175 VanDerWaalsContact O-N 3.1Å; L175-R177 PolarHBondContact O-N 3.33Å; L175-E178 PolarHBondContact O-N 3.36Å; L175-I179 HydrophobicContact CD2-CD1 3.97Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 3.01Å; L175-I179 VanDerWaalsContact O-N 3.14Å |
| 176 | S | 35.7 | Very low | 45 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70 | -19.4 | 172.2 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | R172 | R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.41Å; R172-S176 PolarHBondContact O-N 3.13Å; R172-S176 PolarHBondContact O-OG 3.41Å |
| 177 | R | 42.6 | Very low | 47.1 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -84.9 | -21.5 | 169.9 | -82.9 | 179.3 | 168.6 | 179.5 | -3.4 | 113.1 | S173 A174 L175 T181 | S173-R177 WeakPolarHBondContact O-CG 3.5Å; A174-R177 PolarHBondContact O-N 2.85Å; A174-R177 VanDerWaalsContact O-N 3.16Å; L175-R177 PolarHBondContact O-N 3.33Å; R177-T181 VanDerWaalsContact O-CG2 3.29Å; R177-T181 WeakPolarHBondContact O-CG2 3.28Å; R177-T181 PolarHBondContact O-OG1 2.85Å |
| 178 | E | 40.8 | Very low | 49.4 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -90.7 | -17.8 | 178.5 | -76.9 | 179.5 | 162.4 | 0 | 0 | 113.7 | A174 L175 T181 | A174-E178 PolarHBondContact O-N 3.49Å; A174-E178 VanDerWaalsContact O-N 3.15Å; L175-E178 PolarHBondContact O-N 3.36Å; E178-T181 PolarHBondContact O-OG1 2.82Å |
| 179 | I | 44.7 | Very low | 51.6 | Low | 133 Ų | 133 | 122 Ų | 122 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -95.9 | -12.1 | 179.4 | -61.1 | 170.8 | 0 | 0 | 0 | 112.7 | L175 | L175-I179 HydrophobicContact CD2-CD1 3.97Å; L175-I179 HydrophobicContact CG-CD1 4.13Å; L175-I179 WeakPolarHBondContact O-CG1 3.4Å; L175-I179 PolarHBondContact O-N 3.01Å; L175-I179 VanDerWaalsContact O-N 3.14Å |
| 180 | L | 47.1 | Very low | 53.6 | Low | 142 Ų | 142 | 121 Ų | 121 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -95.6 | 5 | 170.7 | -85.2 | 163.7 | 0 | 0 | 0 | 114.2 | ||
| 181 | T | 40.5 | Very low | 55.9 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | trans | -114.9 | 43.8 | -173.9 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | R177 E178 | R177-T181 VanDerWaalsContact O-CG2 3.29Å; R177-T181 WeakPolarHBondContact O-CG2 3.28Å; R177-T181 PolarHBondContact O-OG1 2.85Å; E178-T181 PolarHBondContact O-OG1 2.82Å | ||
| 182 | K | 48.2 | Very low | 58.2 | Low | 207 Ų | 207 | 105 Ų | 105 | 90% | 0.9 | 53% | 0.532 | S | S | * | . | trans | -93.9 | 59.6 | 133.4 | -92.3 | -175.7 | 176.9 | 176.9 | 0 | 107.9 | R184 | K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.27Å | ||
| 183 | E | 54.5 | Low | 60.5 | Low | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | trans | -64 | 101 | 167.5 | -71.4 | 173.3 | 132.9 | 0 | 0 | 106.8 | H185 | E183-H185 WeakPolarHBondContact CB-CE1 3.33Å; E183-H185 VanDerWaalsContact CB-ND1 3.27Å; E183-H185 WeakPolarHBondContact CB-ND1 3.42Å; E183-H185 PolarHBondContact O-N 3.44Å; E183-H185 IonicContact OE1-CE1 3.3Å; E183-H185 IonicContact OE1-NE2 3.52Å; E183-H185 IonicContact OE2-CE1 3.19Å; E183-H185 PolarHBondContact OE2-CE1 2.78Å; E183-H185 IonicContact OE2-ND1 3.17Å | ||
| 184 | R | 55.7 | Low | 62.4 | Low | 195 Ų | 195 | 103.3 Ų | 103.3 | 74% | 0.736 | 53% | 0.528 | S | S | * | . | trans | -76.4 | 59.3 | 171.6 | -123.3 | -175.7 | 79.5 | 153.1 | 6.1 | 108.5 | K182 Q186 | K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.27Å; R184-Q186 PolarHBondContact O-N 3.2Å; R184-Q186 PolarHBondContact O-NE2 2.77Å | ||
| 185 | H | 68.6 | Low | 64.5 | Low | 78 Ų | 78 | 103 Ų | 103 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | trans | -51.8 | 111.8 | 169.8 | -75.5 | 117.7 | 0 | 0 | 0 | 108.2 | E183 T194 F195 | E183-H185 WeakPolarHBondContact CB-CE1 3.33Å; E183-H185 VanDerWaalsContact CB-ND1 3.27Å; E183-H185 WeakPolarHBondContact CB-ND1 3.42Å; E183-H185 PolarHBondContact O-N 3.44Å; E183-H185 IonicContact OE1-CE1 3.3Å; E183-H185 IonicContact OE1-NE2 3.52Å; E183-H185 IonicContact OE2-CE1 3.19Å; E183-H185 PolarHBondContact OE2-CE1 2.78Å; E183-H185 IonicContact OE2-ND1 3.17Å; H185-T194 HydrophobicContact CB-CG2 4.3Å; H185-F195 CarbonylContact C-O 3.57Å; H185-F195 VanDerWaalsContact CA-O 3.3Å; H185-F195 WeakPolarHBondContact CA-O 3.42Å | ||
| 186 | Q | 74.9 | Confident | 66.3 | Low | 47 Ų | 47 | 105.7 Ų | 105.7 | 22% | 0.22 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.9 | 176.1 | -57.4 | -59.9 | -53.8 | 0 | 0 | 106.9 | R184 F195 L201 | R184-Q186 PolarHBondContact O-N 3.2Å; R184-Q186 PolarHBondContact O-NE2 2.77Å; Q186-F195 PolarHBondContact N-O 3.16Å; Q186-F195 PolarHBondContact O-N 2.94Å; Q186-L201 HydrophobicContact CB-CB 4.32Å; Q186-L201 HydrophobicContact CB-CD2 3.49Å; Q186-L201 VanDerWaalsContact CB-CD2 3.49Å; Q186-L201 HydrophobicContact CB-CG 4.47Å |
| 187 | E | 82.8 | Confident | 68.4 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.4 | 178.6 | -171.7 | 177.4 | 162 | 0 | 0 | 110.1 | S189 G192 K193 T194 | E187-S189 PolarHBondContact O-N 2.8Å; E187-G192 VanDerWaalsContact OE1-CA 3.28Å; E187-G192 WeakPolarHBondContact OE1-CA 3.37Å; E187-K193 WeakPolarHBondContact CA-O 3.2Å; E187-T194 HydrophobicContact CB-CG2 4.4Å; E187-T194 HydrophobicContact CG-CG2 4.47Å |
| 188 | C | 87 | Confident | 70.1 | Confident | 0 Ų | 0 | 101.5 Ų | 101.5 | 0% | 0 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 118.1 | 170.5 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | D190 C191 G192 K193 F195 L201 H208 | C188-D190 PolarHBondContact O-N 3.3Å; C188-D190 VanDerWaalsContact O-N 3.07Å; C188-C191 PolarHBondContact O-N 2.97Å; C188-G192 WeakPolarHBondContact O-CA 3.38Å; C188-G192 PolarHBondContact O-N 3.35Å; C188-K193 PolarHBondContact N-O 3.06Å; C188-F195 HydrophobicContact CB-CE2 4.18Å; C188-L201 HydrophobicContact CB-CD1 3.63Å; C188-H208 VanDerWaalsContact SG-CD2 3.52Å; C188-H208 PolarHBondContact SG-NE2 3.49Å |
| 189 | S | 84.9 | Confident | 71.9 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -31.3 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | E187 | E187-S189 PolarHBondContact O-N 2.8Š|
| 190 | D | 83.3 | Confident | 73.6 | Confident | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -22 | -169 | -51.9 | -22.5 | 0 | 0 | 0 | 113.1 | C188 H208 | C188-D190 PolarHBondContact O-N 3.3Å; C188-D190 VanDerWaalsContact O-N 3.07Å; D190-H208 HydrophobicContact CB-CB 4.38Å; D190-H208 IonicContact OD2-CD2 2.63Å; D190-H208 PolarHBondContact OD2-CD2 2.92Å; D190-H208 IonicContact OD2-CG 2.84Å |
| 191 | C | 85.5 | Confident | 75.3 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 35% | 0.345 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 6.5 | -176.6 | 75.1 | 0 | 0 | 0 | 0 | 115.7 | C188 K193 H204 H208 | C188-C191 PolarHBondContact O-N 2.97Å; C191-K193 PolarHBondContact O-N 3.28Å; C191-K193 VanDerWaalsContact O-N 3.09Å; C191-H204 PolarHBondContact SG-NE2 3.14Å; C191-H208 VanDerWaalsContact SG-CE1 3.59Å; C191-H208 PolarHBondContact SG-NE2 3.2Å; C191-H208 VanDerWaalsContact SG-NE2 3.37Å |
| 192 | G | 82.7 | Confident | 77.3 | Confident | 38 Ų | 38 | 85.3 Ų | 85.3 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | trans | 66.7 | 9.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E187 C188 | E187-G192 VanDerWaalsContact OE1-CA 3.28Å; E187-G192 WeakPolarHBondContact OE1-CA 3.37Å; C188-G192 WeakPolarHBondContact O-CA 3.38Å; C188-G192 PolarHBondContact O-N 3.35Å | ||
| 193 | K | 85.1 | Confident | 78.9 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 53% | 0.53 | 41% | 0.41 | S | S | . | . | trans | -75 | 135.2 | 177.2 | -72.2 | 179.7 | -173.6 | 173.4 | 0 | 110.3 | E187 C188 C191 F195 | E187-K193 WeakPolarHBondContact CA-O 3.2Å; C188-K193 PolarHBondContact N-O 3.06Å; C191-K193 PolarHBondContact O-N 3.28Å; C191-K193 VanDerWaalsContact O-N 3.09Å; K193-F195 HydrophobicContact CB-CE2 3.67Å; K193-F195 HydrophobicContact CB-CZ 3.89Å; K193-F195 WeakPolarHBondContact O-CD2 3.41Å; K193-F195 WeakPolarHBondContact O-CE2 3.4Å | ||
| 194 | T | 84.8 | Confident | 80.3 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.6 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | H185 E187 | H185-T194 HydrophobicContact CB-CG2 4.3Å; E187-T194 HydrophobicContact CB-CG2 4.4Å; E187-T194 HydrophobicContact CG-CG2 4.47Å |
| 195 | F | 84.5 | Confident | 81.7 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.8 | 178.5 | -62.9 | -87.5 | 0 | 0 | 0 | 110.3 | H185 Q186 C188 K193 D197 L201 H204 | H185-F195 CarbonylContact C-O 3.57Å; H185-F195 VanDerWaalsContact CA-O 3.3Å; H185-F195 WeakPolarHBondContact CA-O 3.42Å; Q186-F195 PolarHBondContact N-O 3.16Å; Q186-F195 PolarHBondContact O-N 2.94Å; C188-F195 HydrophobicContact CB-CE2 4.18Å; K193-F195 HydrophobicContact CB-CE2 3.67Å; K193-F195 HydrophobicContact CB-CZ 3.89Å; K193-F195 WeakPolarHBondContact O-CD2 3.41Å; K193-F195 WeakPolarHBondContact O-CE2 3.4Å; F195-D197 VanDerWaalsContact C-N 3.35Å; F195-L201 HydrophobicContact CB-CB 4.08Å; F195-L201 HydrophobicContact CD2-CB 4.08Å; F195-L201 HydrophobicContact CD2-CD1 3.66Å; F195-L201 HydrophobicContact CD2-CG 4.48Å; F195-L201 HydrophobicContact CE2-CD1 4.04Å; F195-L201 HydrophobicContact CG-CB 4.19Å; F195-H204 HydrophobicContact CD1-CB 4.39Å; F195-H204 HydrophobicContact CE1-CB 3.64Å; F195-H204 AromaticContact CE1-CG 3.85Å; F195-H204 HydrophobicContact CE2-CB 3.81Å; F195-H204 AromaticContact CE2-CD2 3.2Å; F195-H204 WeakPolarHBondContact CE2-CD2 3.38Å; F195-H204 AromaticContact CE2-CG 3.48Å; F195-H204 VanDerWaalsContact CE2-CG 3.48Å; F195-H204 AromaticContact CE2-NE2 3.91Å; F195-H204 HydrophobicContact CZ-CB 3.32Å; F195-H204 AromaticContact CZ-CD2 3.28Å; F195-H204 WeakPolarHBondContact CZ-CD2 3.28Å; F195-H204 AromaticContact CZ-CG 3.04Å; F195-H204 AromaticContact CZ-ND1 3.57Å; F195-H204 AromaticContact CZ-NE2 3.88Å |
| 196 | F | 79.1 | Confident | 82.6 | Confident | 160 Ų | 160 | 69 Ų | 69 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -71.2 | -30.5 | -178.3 | -176.4 | -101.1 | 0 | 0 | 0 | 112.7 | ||
| 197 | D | 79.6 | Confident | 83 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -134.4 | 161.2 | -179.9 | 62.6 | 35.8 | 0 | 0 | 0 | 112.6 | F195 S199 S200 L201 | F195-D197 VanDerWaalsContact C-N 3.35Å; D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S200 WeakPolarHBondContact OD1-CA 3.31Å; D197-S200 WeakPolarHBondContact OD1-CB 3.38Å; D197-S200 PolarHBondContact OD1-N 2.98Å; D197-S200 PolarHBondContact OD1-OG 3.45Å; D197-L201 PolarHBondContact O-N 3.41Å |
| 198 | H | 77.9 | Confident | 83.1 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 57% | 0.574 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.3 | -33.9 | 179.9 | -176.8 | -89.3 | 0 | 0 | 0 | 112.3 | L201 T202 | H198-L201 PolarHBondContact O-N 3.09Å; H198-T202 PolarHBondContact CE1-OG1 3.39Å; H198-T202 PolarHBondContact ND1-OG1 3.07Å; H198-T202 WeakPolarHBondContact O-CB 3.44Å; H198-T202 PolarHBondContact O-N 3.27Å; H198-T202 PolarHBondContact O-OG1 2.8Å |
| 199 | S | 78.6 | Confident | 83 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 112 | D197 T202 R203 | D197-S199 VanDerWaalsContact C-N 3.34Å; S199-T202 PolarHBondContact O-N 3.4Å; S199-R203 WeakPolarHBondContact O-CB 3.47Å; S199-R203 PolarHBondContact O-N 2.85Å |
| 200 | S | 80.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.5 | -37.6 | 176 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | D197 R203 H204 | D197-S200 WeakPolarHBondContact OD1-CA 3.31Å; D197-S200 WeakPolarHBondContact OD1-CB 3.38Å; D197-S200 PolarHBondContact OD1-N 2.98Å; D197-S200 PolarHBondContact OD1-OG 3.45Å; S200-R203 PolarHBondContact OG-NH2 3.33Å; S200-H204 VanDerWaalsContact O-CB 3.24Å; S200-H204 WeakPolarHBondContact O-CB 3.36Å; S200-H204 PolarHBondContact O-N 2.97Å |
| 201 | L | 83.3 | Confident | 83 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 171 | 174.3 | 60.8 | 0 | 0 | 0 | 111 | Q186 C188 F195 D197 H198 R203 H204 Q205 | Q186-L201 HydrophobicContact CB-CB 4.32Å; Q186-L201 HydrophobicContact CB-CD2 3.49Å; Q186-L201 VanDerWaalsContact CB-CD2 3.49Å; Q186-L201 HydrophobicContact CB-CG 4.47Å; C188-L201 HydrophobicContact CB-CD1 3.63Å; F195-L201 HydrophobicContact CB-CB 4.08Å; F195-L201 HydrophobicContact CD2-CB 4.08Å; F195-L201 HydrophobicContact CD2-CD1 3.66Å; F195-L201 HydrophobicContact CD2-CG 4.48Å; F195-L201 HydrophobicContact CE2-CD1 4.04Å; F195-L201 HydrophobicContact CG-CB 4.19Å; D197-L201 PolarHBondContact O-N 3.41Å; H198-L201 PolarHBondContact O-N 3.09Å; L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.36Å; L201-H204 CarbonylContact O-C 3.35Å; L201-H204 WeakPolarHBondContact O-CA 3.45Å; L201-H204 WeakPolarHBondContact O-CB 3.3Å; L201-H204 PolarHBondContact O-N 2.55Å; L201-Q205 HydrophobicContact CD1-CG 4.12Å; L201-Q205 HydrophobicContact CG-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.2Å; L201-Q205 PolarHBondContact O-N 3.34Å |
| 202 | T | 81.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | H198 S199 H204 Q205 R206 | H198-T202 PolarHBondContact CE1-OG1 3.39Å; H198-T202 PolarHBondContact ND1-OG1 3.07Å; H198-T202 WeakPolarHBondContact O-CB 3.44Å; H198-T202 PolarHBondContact O-N 3.27Å; H198-T202 PolarHBondContact O-OG1 2.8Å; S199-T202 PolarHBondContact O-N 3.4Å; T202-H204 VanDerWaalsContact C-N 3.32Å; T202-H204 PolarHBondContact O-N 3.03Å; T202-Q205 PolarHBondContact O-N 3.05Å; T202-R206 PolarHBondContact O-N 3.27Å |
| 203 | R | 82.5 | Confident | 83.4 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 40% | 0.396 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 175.5 | 179.1 | 171.6 | 66.3 | -171.2 | -4.3 | 112.1 | S199 S200 L201 R206 H225 | S199-R203 WeakPolarHBondContact O-CB 3.47Å; S199-R203 PolarHBondContact O-N 2.85Å; S200-R203 PolarHBondContact OG-NH2 3.33Å; L201-R203 VanDerWaalsContact C-N 3.29Å; L201-R203 PolarHBondContact O-N 3.36Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; R203-H225 WeakPolarHBondContact CD-ND1 3.39Å; R203-H225 WeakPolarHBondContact CG-CE1 3.48Å |
| 204 | H | 84.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 73 Ų | 73 | 9% | 0.093 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 175.6 | 169 | 64.9 | 0 | 0 | 0 | 112.6 | C191 F195 S200 L201 T202 R206 T207 H208 | C191-H204 PolarHBondContact SG-NE2 3.14Å; F195-H204 HydrophobicContact CD1-CB 4.39Å; F195-H204 HydrophobicContact CE1-CB 3.64Å; F195-H204 AromaticContact CE1-CG 3.85Å; F195-H204 HydrophobicContact CE2-CB 3.81Å; F195-H204 AromaticContact CE2-CD2 3.2Å; F195-H204 WeakPolarHBondContact CE2-CD2 3.38Å; F195-H204 AromaticContact CE2-CG 3.48Å; F195-H204 VanDerWaalsContact CE2-CG 3.48Å; F195-H204 AromaticContact CE2-NE2 3.91Å; F195-H204 HydrophobicContact CZ-CB 3.32Å; F195-H204 AromaticContact CZ-CD2 3.28Å; F195-H204 WeakPolarHBondContact CZ-CD2 3.28Å; F195-H204 AromaticContact CZ-CG 3.04Å; F195-H204 AromaticContact CZ-ND1 3.57Å; F195-H204 AromaticContact CZ-NE2 3.88Å; S200-H204 VanDerWaalsContact O-CB 3.24Å; S200-H204 WeakPolarHBondContact O-CB 3.36Å; S200-H204 PolarHBondContact O-N 2.97Å; L201-H204 CarbonylContact O-C 3.35Å; L201-H204 WeakPolarHBondContact O-CA 3.45Å; L201-H204 WeakPolarHBondContact O-CB 3.3Å; L201-H204 PolarHBondContact O-N 2.55Å; T202-H204 VanDerWaalsContact C-N 3.32Å; T202-H204 PolarHBondContact O-N 3.03Å; H204-R206 PolarHBondContact O-N 3.38Å; H204-R206 VanDerWaalsContact O-N 3.15Å; H204-T207 PolarHBondContact CE1-OG1 3Å; H204-T207 PolarHBondContact ND1-OG1 3.03Å; H204-T207 VanDerWaalsContact O-CB 3.29Å; H204-T207 WeakPolarHBondContact O-CB 3.44Å; H204-T207 WeakPolarHBondContact O-CG2 3.37Å; H204-T207 PolarHBondContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.5Å; H204-H208 AromaticContact CD2-NE2 3.87Å; H204-H208 AromaticContact CE1-CE1 3.99Å; H204-H208 AromaticContact CE1-NE2 3.5Å; H204-H208 PolarHBondContact CE1-NE2 3.4Å; H204-H208 AromaticContact NE2-CD2 3.95Å; H204-H208 AromaticContact NE2-CE1 3.86Å; H204-H208 AromaticContact NE2-NE2 3.02Å; H204-H208 PolarHBondContact NE2-NE2 3.25Å |
| 205 | Q | 84.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.8 | -29.3 | 178.3 | -76.3 | 169.1 | -30.1 | 0 | 0 | 112.5 | L201 T202 T207 H208 T209 | L201-Q205 HydrophobicContact CD1-CG 4.12Å; L201-Q205 HydrophobicContact CG-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.2Å; L201-Q205 PolarHBondContact O-N 3.34Å; T202-Q205 PolarHBondContact O-N 3.05Å; Q205-T207 PolarHBondContact O-N 2.88Å; Q205-H208 PolarHBondContact O-N 3.08Å; Q205-T209 PolarHBondContact O-N 3.24Å; Q205-T209 PolarHBondContact O-OG1 3.07Å |
| 206 | R | 87.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.4 | -22.2 | 171.1 | -59.7 | 179.2 | -174.2 | 172.5 | 0.8 | 113.8 | T202 R203 H204 H208 T209 G210 E211 S224 | T202-R206 PolarHBondContact O-N 3.27Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; H204-R206 PolarHBondContact O-N 3.38Å; H204-R206 VanDerWaalsContact O-N 3.15Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-T209 WeakPolarHBondContact CA-OG1 3.48Å; R206-G210 WeakPolarHBondContact O-CA 3.41Å; R206-G210 PolarHBondContact O-N 3.33Å; R206-E211 HydrophobicContact CG-CB 4.32Å; R206-S224 WeakPolarHBondContact CD-O 3.39Å; R206-S224 PolarHBondContact NH1-O 2.84Å |
| 207 | T | 83.6 | Confident | 84.1 | Confident | 81 Ų | 81 | 75 Ų | 75 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.1 | -23 | 175.6 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | H204 Q205 | H204-T207 PolarHBondContact CE1-OG1 3Å; H204-T207 PolarHBondContact ND1-OG1 3.03Å; H204-T207 VanDerWaalsContact O-CB 3.29Å; H204-T207 WeakPolarHBondContact O-CB 3.44Å; H204-T207 WeakPolarHBondContact O-CG2 3.37Å; H204-T207 PolarHBondContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.5Å; Q205-T207 PolarHBondContact O-N 2.88Å |
| 208 | H | 84.1 | Confident | 84.3 | Confident | 76 Ų | 76 | 78 Ų | 78 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -93.8 | -45 | 175.9 | -53.3 | -53.7 | 0 | 0 | 0 | 111.3 | C188 D190 C191 H204 Q205 R206 G210 | C188-H208 VanDerWaalsContact SG-CD2 3.52Å; C188-H208 PolarHBondContact SG-NE2 3.49Å; D190-H208 HydrophobicContact CB-CB 4.38Å; D190-H208 IonicContact OD2-CD2 2.63Å; D190-H208 PolarHBondContact OD2-CD2 2.92Å; D190-H208 IonicContact OD2-CG 2.84Å; C191-H208 VanDerWaalsContact SG-CE1 3.59Å; C191-H208 PolarHBondContact SG-NE2 3.2Å; C191-H208 VanDerWaalsContact SG-NE2 3.37Å; H204-H208 AromaticContact CD2-NE2 3.87Å; H204-H208 AromaticContact CE1-CE1 3.99Å; H204-H208 AromaticContact CE1-NE2 3.5Å; H204-H208 PolarHBondContact CE1-NE2 3.4Å; H204-H208 AromaticContact NE2-CD2 3.95Å; H204-H208 AromaticContact NE2-CE1 3.86Å; H204-H208 AromaticContact NE2-NE2 3.02Å; H204-H208 PolarHBondContact NE2-NE2 3.25Å; Q205-H208 PolarHBondContact O-N 3.08Å; R206-H208 VanDerWaalsContact C-N 3.32Å; H208-G210 VanDerWaalsContact C-N 3.26Å; H208-G210 PolarHBondContact O-N 3.16Å |
| 209 | T | 84.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.9 | -21.3 | -180 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | Q205 R206 E211 | Q205-T209 PolarHBondContact O-N 3.24Å; Q205-T209 PolarHBondContact O-OG1 3.07Å; R206-T209 WeakPolarHBondContact CA-OG1 3.48Å; T209-E211 PolarHBondContact O-N 3.36Å; T209-E211 WeakPolarHBondContact OG1-CG 3.07Å; T209-E211 PolarHBondContact OG1-N 2.95Å |
| 210 | G | 83.3 | Confident | 84.9 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | trans | 72.8 | 8.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R206 H208 K212 | R206-G210 WeakPolarHBondContact O-CA 3.41Å; R206-G210 PolarHBondContact O-N 3.33Å; H208-G210 VanDerWaalsContact C-N 3.26Å; H208-G210 PolarHBondContact O-N 3.16Å; G210-K212 PolarHBondContact O-N 3.12Å | ||
| 211 | E | 86.1 | Confident | 85.2 | Confident | 114 Ų | 114 | 79 Ų | 79 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | trans | -57.7 | 130.6 | 177.1 | -77.3 | -179.8 | -177.3 | 0 | 0 | 111.4 | R206 T209 S224 | R206-E211 HydrophobicContact CG-CB 4.32Å; T209-E211 PolarHBondContact O-N 3.36Å; T209-E211 WeakPolarHBondContact OG1-CG 3.07Å; T209-E211 PolarHBondContact OG1-N 2.95Å; E211-S224 WeakPolarHBondContact O-CB 3.44Å | ||
| 212 | K | 87.9 | Confident | 85.4 | Confident | 124 Ų | 124 | 80.1 Ų | 80.1 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | trans | -129.8 | 77 | -179.1 | -73.9 | 166.5 | 168.4 | -164.7 | 0 | 109.9 | G210 Y214 A222 F223 | G210-K212 PolarHBondContact O-N 3.12Å; K212-Y214 PolarHBondContact O-N 3.14Å; K212-Y214 VanDerWaalsContact O-N 3.13Å; K212-A222 HydrophobicContact CB-CB 3.59Å; K212-A222 HydrophobicContact CD-CB 4.27Å; K212-A222 WeakPolarHBondContact CD-O 3.45Å; K212-F223 CarbonylContact C-O 3.49Å; K212-F223 VanDerWaalsContact C-O 3.26Å; K212-F223 VanDerWaalsContact CA-O 3.28Å; K212-F223 WeakPolarHBondContact CA-O 3.35Å | ||
| 213 | P | 87.6 | Confident | 85.7 | Confident | 67 Ų | 67 | 80 Ų | 80 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | trans | -68.4 | -11.4 | -172.3 | -21.2 | 34.8 | 0 | 0 | 0 | 114.7 | ||||
| 214 | Y | 87.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 101.1 | -172.6 | -55.2 | -72.6 | 0 | 0 | 0 | 110.5 | K212 A222 F223 R226 | K212-Y214 PolarHBondContact O-N 3.14Å; K212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-A222 CarbonylContact O-C 3.52Å; Y214-A222 WeakPolarHBondContact O-CA 3.31Å; Y214-F223 PolarHBondContact N-O 3.24Å; Y214-F223 VanDerWaalsContact N-O 3.15Å; Y214-F223 PolarHBondContact O-N 3.37Å; Y214-R226 HydrophobicContact CD1-CB 4.11Å; Y214-R226 HydrophobicContact CD1-CG 4.22Å; Y214-R226 HydrophobicContact CD2-CB 4.38Å; Y214-R226 VanDerWaalsContact CD2-N 3.33Å; Y214-R226 HydrophobicContact CE1-CB 3.86Å; Y214-R226 HydrophobicContact CE1-CG 4.12Å; Y214-R226 HydrophobicContact CE2-CB 4.1Å; Y214-R226 VanDerWaalsContact CE2-N 3.32Å; Y214-R226 HydrophobicContact CG-CB 4.35Å |
| 215 | D | 86.6 | Confident | 85.6 | Confident | 92 Ų | 92 | 78 Ų | 78 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 144.8 | 178.3 | 65.1 | -71.6 | 0 | 0 | 0 | 113.1 | A222 L229 | D215-A222 HydrophobicContact CB-CB 4.47Å; D215-L229 WeakPolarHBondContact O-CD2 3.24Å |
| 216 | C | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | trans | -86.6 | 115.7 | 168.8 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | E218 C219 G220 K221 F223 L229 H232 L233 H236 | C216-E218 PolarHBondContact O-N 3.28Å; C216-C219 PolarHBondContact O-N 2.97Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C216-G220 WeakPolarHBondContact O-CA 3.5Å; C216-G220 PolarHBondContact O-N 3.5Å; C216-K221 WeakPolarHBondContact CB-O 3.34Å; C216-K221 PolarHBondContact N-O 3.5Å; C216-F223 HydrophobicContact CB-CE2 4.45Å; C216-L229 HydrophobicContact CB-CD1 3.7Å; C216-H232 PolarHBondContact SG-NE2 3.34Å; C216-L233 HydrophobicContact CB-CD2 4.46Å; C216-H236 PolarHBondContact SG-NE2 3.42Å | ||
| 217 | R | 85.9 | Confident | 85 | Confident | 237 Ų | 237 | 82 Ų | 82 | 89% | 0.894 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.1 | 179.6 | -64.7 | -173.3 | 176.8 | -175.4 | -0.6 | 113.9 | ||
| 218 | E | 84.7 | Confident | 85 | Confident | 131 Ų | 131 | 79.2 Ų | 79.2 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -35.5 | -177.8 | -66.5 | 174.9 | -149.3 | 0 | 0 | 113.4 | C216 H236 | C216-E218 PolarHBondContact O-N 3.28Å; E218-H236 WeakPolarHBondContact OE2-CB 3.22Å; E218-H236 IonicContact OE2-CD2 3.08Å; E218-H236 PolarHBondContact OE2-CD2 2.94Å; E218-H236 VanDerWaalsContact OE2-CD2 3.3Å; E218-H236 IonicContact OE2-CG 3.91Å |
| 219 | C | 85.6 | Confident | 85 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 4.7 | -175.6 | 77 | 0 | 0 | 0 | 0 | 114.9 | C216 K221 H232 | C216-C219 PolarHBondContact O-N 2.97Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C219-K221 PolarHBondContact O-N 3.18Å; C219-K221 VanDerWaalsContact O-N 3.12Å; C219-K221 VanDerWaalsContact SG-CG 3.57Å; C219-H232 PolarHBondContact SG-NE2 3.34Å |
| 220 | G | 83.4 | Confident | 84.8 | Confident | 61 Ų | 61 | 74 Ų | 74 | 63% | 0.629 | 39% | 0.391 | S | S | * | . | trans | 68.4 | 4.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C216 A222 | C216-G220 WeakPolarHBondContact O-CA 3.5Å; C216-G220 PolarHBondContact O-N 3.5Å; G220-A222 PolarHBondContact O-N 3.12Å | ||
| 221 | K | 85.9 | Confident | 84.6 | Confident | 124 Ų | 124 | 77.9 Ų | 77.9 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | trans | -73.9 | 129.2 | 179.9 | -72.9 | 178.5 | -174.5 | 167.6 | 0 | 110.8 | C216 C219 F223 | C216-K221 WeakPolarHBondContact CB-O 3.34Å; C216-K221 PolarHBondContact N-O 3.5Å; C219-K221 PolarHBondContact O-N 3.18Å; C219-K221 VanDerWaalsContact O-N 3.12Å; C219-K221 VanDerWaalsContact SG-CG 3.57Å; K221-F223 HydrophobicContact CB-CE2 3.9Å; K221-F223 HydrophobicContact CB-CZ 4.01Å; K221-F223 VanDerWaalsContact O-CE2 3.28Å; K221-F223 WeakPolarHBondContact O-CE2 3.4Å | ||
| 222 | A | 89 | Confident | 84.5 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 145.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K212 Y214 D215 G220 | K212-A222 HydrophobicContact CB-CB 3.59Å; K212-A222 HydrophobicContact CD-CB 4.27Å; K212-A222 WeakPolarHBondContact CD-O 3.45Å; Y214-A222 CarbonylContact O-C 3.52Å; Y214-A222 WeakPolarHBondContact O-CA 3.31Å; D215-A222 HydrophobicContact CB-CB 4.47Å; G220-A222 PolarHBondContact O-N 3.12Å |
| 223 | F | 86.1 | Confident | 84.1 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.2 | -175.3 | -58 | -90 | 0 | 0 | 0 | 111.2 | K212 Y214 C216 K221 H225 L229 H232 | K212-F223 CarbonylContact C-O 3.49Å; K212-F223 VanDerWaalsContact C-O 3.26Å; K212-F223 VanDerWaalsContact CA-O 3.28Å; K212-F223 WeakPolarHBondContact CA-O 3.35Å; Y214-F223 PolarHBondContact N-O 3.24Å; Y214-F223 VanDerWaalsContact N-O 3.15Å; Y214-F223 PolarHBondContact O-N 3.37Å; C216-F223 HydrophobicContact CB-CE2 4.45Å; K221-F223 HydrophobicContact CB-CE2 3.9Å; K221-F223 HydrophobicContact CB-CZ 4.01Å; K221-F223 VanDerWaalsContact O-CE2 3.28Å; K221-F223 WeakPolarHBondContact O-CE2 3.4Å; F223-H225 VanDerWaalsContact C-N 3.33Å; F223-L229 HydrophobicContact CB-CB 4.27Å; F223-L229 HydrophobicContact CD2-CB 3.86Å; F223-L229 HydrophobicContact CD2-CD1 3.75Å; F223-L229 HydrophobicContact CD2-CG 4.42Å; F223-L229 HydrophobicContact CE2-CD1 3.92Å; F223-L229 HydrophobicContact CG-CB 4.24Å; F223-H232 HydrophobicContact CE1-CB 3.85Å; F223-H232 HydrophobicContact CE2-CB 3.77Å; F223-H232 AromaticContact CE2-CD2 3.28Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.21Å; F223-H232 AromaticContact CE2-CG 3.59Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.37Å; F223-H232 WeakPolarHBondContact CZ-CD2 3.37Å; F223-H232 AromaticContact CZ-CG 3.18Å; F223-H232 AromaticContact CZ-ND1 3.87Å |
| 224 | S | 84.4 | Confident | 83.5 | Confident | 29 Ų | 29 | 68 Ų | 68 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -79.1 | -17.7 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | R206 E211 | R206-S224 WeakPolarHBondContact CD-O 3.39Å; R206-S224 PolarHBondContact NH1-O 2.84Å; E211-S224 WeakPolarHBondContact O-CB 3.44Å |
| 225 | H | 81.8 | Confident | 83 | Confident | 53 Ų | 53 | 68 Ų | 68 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -129.3 | 139.7 | -179.7 | -57.9 | -101 | 0 | 0 | 0 | 111.4 | R203 F223 S227 S228 L229 | R203-H225 WeakPolarHBondContact CD-ND1 3.39Å; R203-H225 WeakPolarHBondContact CG-CE1 3.48Å; F223-H225 VanDerWaalsContact C-N 3.33Å; H225-S227 PolarHBondContact O-N 2.79Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 3.23Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å |
| 226 | R | 78.8 | Confident | 82.5 | Confident | 123 Ų | 123 | 67 Ų | 67 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177 | -164.1 | 174 | -176.9 | 168.3 | 2.2 | 112.3 | E41 Y214 S228 L229 S230 | E41-R226 IonicContact OE1-CZ 3.07Å; E41-R226 IonicContact OE1-NE 3.05Å; E41-R226 PolarHBondContact OE1-NE 3.18Å; E41-R226 VanDerWaalsContact OE1-NE 3.08Å; E41-R226 IonicContact OE1-NH2 3.71Å; E41-R226 PolarHBondContact OE1-NH2 3.29Å; E41-R226 VanDerWaalsContact OE2-CD 3.24Å; E41-R226 WeakPolarHBondContact OE2-CD 3.22Å; E41-R226 IonicContact OE2-CZ 3.93Å; E41-R226 IonicContact OE2-NE 3.34Å; E41-R226 PolarHBondContact OE2-NE 3.13Å; E41-R226 IonicContact OE2-NH2 3.54Å; Y214-R226 HydrophobicContact CD1-CB 4.11Å; Y214-R226 HydrophobicContact CD1-CG 4.22Å; Y214-R226 HydrophobicContact CD2-CB 4.38Å; Y214-R226 VanDerWaalsContact CD2-N 3.33Å; Y214-R226 HydrophobicContact CE1-CB 3.86Å; Y214-R226 HydrophobicContact CE1-CG 4.12Å; Y214-R226 HydrophobicContact CE2-CB 4.1Å; Y214-R226 VanDerWaalsContact CE2-N 3.32Å; Y214-R226 HydrophobicContact CG-CB 4.35Å; R226-S228 PolarHBondContact O-N 3.23Å; R226-L229 WeakPolarHBondContact O-CB 3.49Å; R226-L229 PolarHBondContact O-N 2.79Å; R226-L229 VanDerWaalsContact O-N 3.13Å; R226-S230 PolarHBondContact O-N 3.08Å |
| 227 | S | 79.9 | Confident | 81.7 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.9 | -30.8 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | H225 R231 | H225-S227 PolarHBondContact O-N 2.79Å; S227-R231 WeakPolarHBondContact O-CB 3.01Å; S227-R231 PolarHBondContact O-N 2.83Å |
| 228 | S | 83.1 | Confident | 80.8 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.8 | -37.1 | 175.9 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | H225 R226 H232 | H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 3.23Å; R226-S228 PolarHBondContact O-N 3.23Å; S228-H232 WeakPolarHBondContact O-CB 3.45Å; S228-H232 PolarHBondContact O-N 3.2Å |
| 229 | L | 84.4 | Confident | 80 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 169.5 | 173.2 | 62.7 | 0 | 0 | 0 | 110.6 | D215 C216 F223 H225 R226 R231 H232 L233 | D215-L229 WeakPolarHBondContact O-CD2 3.24Å; C216-L229 HydrophobicContact CB-CD1 3.7Å; F223-L229 HydrophobicContact CB-CB 4.27Å; F223-L229 HydrophobicContact CD2-CB 3.86Å; F223-L229 HydrophobicContact CD2-CD1 3.75Å; F223-L229 HydrophobicContact CD2-CG 4.42Å; F223-L229 HydrophobicContact CE2-CD1 3.92Å; F223-L229 HydrophobicContact CG-CB 4.24Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å; R226-L229 WeakPolarHBondContact O-CB 3.49Å; R226-L229 PolarHBondContact O-N 2.79Å; R226-L229 VanDerWaalsContact O-N 3.13Å; L229-R231 PolarHBondContact O-N 3.44Å; L229-H232 CarbonylContact O-C 3.59Å; L229-H232 WeakPolarHBondContact O-CA 3.48Å; L229-H232 WeakPolarHBondContact O-CB 3.32Å; L229-H232 PolarHBondContact O-N 2.79Å; L229-L233 HydrophobicContact CD1-CD1 4.41Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.1Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å |
| 230 | S | 81.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 60 Ų | 60 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.2 | -49.5 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | R226 H232 L233 M234 | R226-S230 PolarHBondContact O-N 3.08Å; S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.39Å; S230-L233 PolarHBondContact O-N 3.12Å; S230-M234 WeakPolarHBondContact O-CG 3.27Å; S230-M234 PolarHBondContact O-N 3.13Å |
| 231 | R | 79 | Confident | 78.7 | Confident | 128 Ų | 128 | 59 Ų | 59 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -35.3 | 172.9 | 177.7 | 171.8 | 59.5 | -172.2 | -5.6 | 113.3 | S227 L229 F252 | S227-R231 WeakPolarHBondContact O-CB 3.01Å; S227-R231 PolarHBondContact O-N 2.83Å; L229-R231 PolarHBondContact O-N 3.44Å; R231-F252 HydrophobicContact CG-CB 3.87Å; R231-F252 HydrophobicContact CG-CD1 4.19Å; R231-F252 HydrophobicContact CG-CD2 4.16Å; R231-F252 HydrophobicContact CG-CG 3.8Å |
| 232 | H | 82.9 | Confident | 78.4 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72 | -38.6 | 177.5 | 167.7 | 59.4 | 0 | 0 | 0 | 112.5 | C216 C219 F223 S228 L229 S230 M234 S235 H236 | C216-H232 PolarHBondContact SG-NE2 3.34Å; C219-H232 PolarHBondContact SG-NE2 3.34Å; F223-H232 HydrophobicContact CE1-CB 3.85Å; F223-H232 HydrophobicContact CE2-CB 3.77Å; F223-H232 AromaticContact CE2-CD2 3.28Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.21Å; F223-H232 AromaticContact CE2-CG 3.59Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.37Å; F223-H232 WeakPolarHBondContact CZ-CD2 3.37Å; F223-H232 AromaticContact CZ-CG 3.18Å; F223-H232 AromaticContact CZ-ND1 3.87Å; S228-H232 WeakPolarHBondContact O-CB 3.45Å; S228-H232 PolarHBondContact O-N 3.2Å; L229-H232 CarbonylContact O-C 3.59Å; L229-H232 WeakPolarHBondContact O-CA 3.48Å; L229-H232 WeakPolarHBondContact O-CB 3.32Å; L229-H232 PolarHBondContact O-N 2.79Å; S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.39Å; H232-M234 PolarHBondContact O-N 3.39Å; H232-S235 PolarHBondContact ND1-OG 3.4Å; H232-S235 WeakPolarHBondContact O-CB 3.29Å; H232-S235 PolarHBondContact O-N 2.78Å; H232-S235 PolarHBondContact O-OG 3.48Å; H232-H236 AromaticContact CD2-NE2 4Å; H232-H236 AromaticContact CE1-CE1 3.74Å; H232-H236 AromaticContact CE1-NE2 3.35Å; H232-H236 PolarHBondContact CE1-NE2 3.26Å; H232-H236 VanDerWaalsContact CE1-NE2 3.35Å; H232-H236 AromaticContact NE2-CD2 3.99Å; H232-H236 AromaticContact NE2-CE1 3.87Å; H232-H236 AromaticContact NE2-NE2 3.09Å; H232-H236 PolarHBondContact NE2-NE2 3.37Å |
| 233 | L | 79.7 | Confident | 78.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -33.6 | 178 | -68.6 | 173.3 | 0 | 0 | 0 | 111.9 | C216 L229 S230 S235 H236 T237 | C216-L233 HydrophobicContact CB-CD2 4.46Å; L229-L233 HydrophobicContact CD1-CD1 4.41Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.1Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.46Å; L229-L233 PolarHBondContact O-N 2.99Å; S230-L233 PolarHBondContact O-N 3.12Å; L233-S235 PolarHBondContact O-N 3.41Å; L233-S235 VanDerWaalsContact O-N 3.11Å; L233-H236 PolarHBondContact O-N 3.43Å; L233-T237 PolarHBondContact O-N 2.91Å |
| 234 | M | 76.2 | Confident | 78.1 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.5 | -23.9 | 172.5 | -57.5 | -56.7 | -170.8 | 0 | 0 | 114.1 | I34 S230 H232 H236 G238 P241 F252 | I34-M234 HydrophobicContact CB-CE 3.67Å; I34-M234 HydrophobicContact CD1-CE 3.56Å; I34-M234 HydrophobicContact CD1-SD 3.45Å; I34-M234 WeakPolarHBondContact CD1-SD 3.41Å; I34-M234 HydrophobicContact CG1-CE 4.2Å; I34-M234 HydrophobicContact CG2-CE 3.22Å; I34-M234 HydrophobicContact CG2-SD 4.43Å; S230-M234 WeakPolarHBondContact O-CG 3.27Å; S230-M234 PolarHBondContact O-N 3.13Å; H232-M234 PolarHBondContact O-N 3.39Å; M234-H236 VanDerWaalsContact C-N 3.28Å; M234-G238 PolarHBondContact O-N 3.15Å; M234-G238 VanDerWaalsContact O-N 3.09Å; M234-P241 HydrophobicContact CE-CG 4.26Å; M234-F252 HydrophobicContact CB-CD1 3.56Å; M234-F252 HydrophobicContact CB-CE1 3.47Å; M234-F252 VanDerWaalsContact CB-CE1 3.47Å; M234-F252 HydrophobicContact CG-CD1 4.09Å; M234-F252 HydrophobicContact CG-CE1 4.47Å |
| 235 | S | 75.9 | Confident | 78.1 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -75.4 | -17.3 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | H232 L233 | H232-S235 PolarHBondContact ND1-OG 3.4Å; H232-S235 WeakPolarHBondContact O-CB 3.29Å; H232-S235 PolarHBondContact O-N 2.78Å; H232-S235 PolarHBondContact O-OG 3.48Å; L233-S235 PolarHBondContact O-N 3.41Å; L233-S235 VanDerWaalsContact O-N 3.11Å |
| 236 | H | 76.7 | Confident | 78.3 | Confident | 71 Ų | 71 | 63.9 Ų | 63.9 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -90.8 | -42.5 | 174.4 | -59.6 | -53.1 | 0 | 0 | 0 | 111.7 | C216 E218 H232 L233 M234 G238 | C216-H236 PolarHBondContact SG-NE2 3.42Å; E218-H236 WeakPolarHBondContact OE2-CB 3.22Å; E218-H236 IonicContact OE2-CD2 3.08Å; E218-H236 PolarHBondContact OE2-CD2 2.94Å; E218-H236 VanDerWaalsContact OE2-CD2 3.3Å; E218-H236 IonicContact OE2-CG 3.91Å; H232-H236 AromaticContact CD2-NE2 4Å; H232-H236 AromaticContact CE1-CE1 3.74Å; H232-H236 AromaticContact CE1-NE2 3.35Å; H232-H236 PolarHBondContact CE1-NE2 3.26Å; H232-H236 VanDerWaalsContact CE1-NE2 3.35Å; H232-H236 AromaticContact NE2-CD2 3.99Å; H232-H236 AromaticContact NE2-CE1 3.87Å; H232-H236 AromaticContact NE2-NE2 3.09Å; H232-H236 PolarHBondContact NE2-NE2 3.37Å; L233-H236 PolarHBondContact O-N 3.43Å; M234-H236 VanDerWaalsContact C-N 3.28Å; H236-G238 VanDerWaalsContact C-N 3.32Å |
| 237 | T | 72 | Confident | 78.6 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75 | -23.4 | -179.6 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | L233 E239 | L233-T237 PolarHBondContact O-N 2.91Å; T237-E239 PolarHBondContact O-N 3.04Å; T237-E239 VanDerWaalsContact O-N 3.15Å; T237-E239 PolarHBondContact OG1-N 2.85Å |
| 238 | G | 66.9 | Low | 78.7 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 62% | 0.619 | 35% | 0.352 | S | S | * | . | trans | 70.9 | -1.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M234 H236 S240 | M234-G238 PolarHBondContact O-N 3.15Å; M234-G238 VanDerWaalsContact O-N 3.09Å; H236-G238 VanDerWaalsContact C-N 3.32Å; G238-S240 PolarHBondContact O-N 3.49Å | ||
| 239 | E | 67.3 | Low | 78.5 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | trans | -79.7 | 114.2 | 177.2 | -63.7 | -173.8 | 166.1 | 0 | 0 | 109.2 | T237 | T237-E239 PolarHBondContact O-N 3.04Å; T237-E239 VanDerWaalsContact O-N 3.15Å; T237-E239 PolarHBondContact OG1-N 2.85Å | ||
| 240 | S | 68.6 | Low | 78.4 | Confident | 28 Ų | 28 | 67 Ų | 67 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | trans | -112.2 | 127.6 | 172 | 77.8 | 0 | 0 | 0 | 0 | 109.6 | G238 Y242 A250 F251 | G238-S240 PolarHBondContact O-N 3.49Å; S240-Y242 PolarHBondContact O-N 3.33Å; S240-Y242 VanDerWaalsContact O-N 3.07Å; S240-A250 VanDerWaalsContact CB-CB 3.41Å; S240-A250 WeakPolarHBondContact OG-CA 3.44Å; S240-A250 WeakPolarHBondContact OG-CB 3.45Å; S240-F251 WeakPolarHBondContact CB-O 3.48Å; S240-F251 PolarHBondContact OG-N 2.94Å | ||
| 241 | P | 73 | Confident | 78.3 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -65.7 | -13.8 | -179 | -20.7 | 31.4 | 0 | 0 | 0 | 114.2 | V32 Q35 M234 | V32-P241 HydrophobicContact CG2-CB 4.37Å; V32-P241 HydrophobicContact CG2-CG 4.42Å; Q35-P241 HydrophobicContact CG-CB 4.43Å; Q35-P241 HydrophobicContact CG-CG 4.49Å; M234-P241 HydrophobicContact CE-CG 4.26Å |
| 242 | Y | 79.2 | Confident | 78.1 | Confident | 67 Ų | 67 | 66 Ų | 66 | 26% | 0.263 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 99.2 | -174.5 | -54.6 | -72.5 | 0 | 0 | 0 | 110.7 | Q35 S240 F251 R254 | Q35-Y242 PolarHBondContact NE2-OH 3.5Å; S240-Y242 PolarHBondContact O-N 3.33Å; S240-Y242 VanDerWaalsContact O-N 3.07Å; Y242-F251 PolarHBondContact N-O 3.07Å; Y242-F251 PolarHBondContact O-N 3.3Å; Y242-R254 HydrophobicContact CD1-CB 4.04Å; Y242-R254 HydrophobicContact CD1-CG 4.38Å; Y242-R254 HydrophobicContact CE1-CB 3.83Å; Y242-R254 HydrophobicContact CE1-CG 4.31Å; Y242-R254 HydrophobicContact CE2-CB 4.42Å; Y242-R254 HydrophobicContact CG-CB 4.44Å |
| 243 | E | 82.7 | Confident | 77.7 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140.9 | 176.5 | -168.1 | -178.2 | 162.4 | 0 | 0 | 111.6 | S245 S248 | E243-S245 PolarHBondContact O-N 2.87Å; E243-S248 WeakPolarHBondContact OE1-CA 3.34Å; E243-S248 WeakPolarHBondContact OE1-CB 3.36Å; E243-S248 PolarHBondContact OE1-OG 3.45Å |
| 244 | C | 86.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | -78.9 | 115.9 | 170.9 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | V246 C247 S248 K249 F251 L257 H264 | C244-V246 PolarHBondContact O-N 2.83Å; C244-C247 PolarHBondContact O-N 2.95Å; C244-S248 VanDerWaalsContact O-CA 3.24Å; C244-S248 WeakPolarHBondContact O-CA 3.42Å; C244-S248 PolarHBondContact O-N 2.8Å; C244-K249 HydrophobicContact CB-CB 4.46Å; C244-K249 WeakPolarHBondContact CB-O 3.42Å; C244-K249 PolarHBondContact N-O 3.5Å; C244-F251 HydrophobicContact CB-CE2 4.23Å; C244-L257 HydrophobicContact CB-CD1 3.68Å; C244-H264 VanDerWaalsContact SG-CD2 3.59Å; C244-H264 PolarHBondContact SG-NE2 2.76Å | ||
| 245 | S | 84.3 | Confident | 78 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.3 | 178.4 | 55.8 | 0 | 0 | 0 | 0 | 115.8 | E243 | E243-S245 PolarHBondContact O-N 2.87Š|
| 246 | V | 86.3 | Confident | 78.3 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -33.5 | -176.3 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | C244 H264 | C244-V246 PolarHBondContact O-N 2.83Å; V246-H264 HydrophobicContact CG1-CB 4.39Å; V246-H264 HydrophobicContact CG2-CB 4.5Å |
| 247 | C | 85.5 | Confident | 78.8 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 11.2 | -174 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | C244 K249 H260 H264 | C244-C247 PolarHBondContact O-N 2.95Å; C247-K249 PolarHBondContact O-N 3.02Å; C247-H260 PolarHBondContact SG-NE2 3.27Å; C247-H264 PolarHBondContact SG-NE2 3.15Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å |
| 248 | S | 82.2 | Confident | 79.4 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | trans | 51.9 | 24 | -179.7 | -68.6 | 0 | 0 | 0 | 0 | 114.7 | E243 C244 A250 | E243-S248 WeakPolarHBondContact OE1-CA 3.34Å; E243-S248 WeakPolarHBondContact OE1-CB 3.36Å; E243-S248 PolarHBondContact OE1-OG 3.45Å; C244-S248 VanDerWaalsContact O-CA 3.24Å; C244-S248 WeakPolarHBondContact O-CA 3.42Å; C244-S248 PolarHBondContact O-N 2.8Å; S248-A250 PolarHBondContact O-N 3.37Å | ||
| 249 | K | 78 | Confident | 80.3 | Confident | 123 Ų | 123 | 71.9 Ų | 71.9 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | trans | -75.9 | 128.1 | 174.3 | -79 | -176 | -179.8 | 177.2 | 0 | 110.3 | C244 C247 F251 | C244-K249 HydrophobicContact CB-CB 4.46Å; C244-K249 WeakPolarHBondContact CB-O 3.42Å; C244-K249 PolarHBondContact N-O 3.5Å; C247-K249 PolarHBondContact O-N 3.02Å; K249-F251 HydrophobicContact CB-CE2 3.73Å; K249-F251 HydrophobicContact CB-CZ 4.04Å; K249-F251 VanDerWaalsContact O-CD2 3.27Å; K249-F251 WeakPolarHBondContact O-CD2 3.2Å; K249-F251 VanDerWaalsContact O-CE2 3.24Å; K249-F251 WeakPolarHBondContact O-CE2 3.47Å | ||
| 250 | A | 82.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 67 Ų | 67 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S240 S248 | S240-A250 VanDerWaalsContact CB-CB 3.41Å; S240-A250 WeakPolarHBondContact OG-CA 3.44Å; S240-A250 WeakPolarHBondContact OG-CB 3.45Å; S248-A250 PolarHBondContact O-N 3.37Å |
| 251 | F | 80 | Confident | 82 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.5 | 176.8 | -62.8 | -87.1 | 0 | 0 | 0 | 112 | S240 Y242 C244 K249 L257 H260 | S240-F251 WeakPolarHBondContact CB-O 3.48Å; S240-F251 PolarHBondContact OG-N 2.94Å; Y242-F251 PolarHBondContact N-O 3.07Å; Y242-F251 PolarHBondContact O-N 3.3Å; C244-F251 HydrophobicContact CB-CE2 4.23Å; K249-F251 HydrophobicContact CB-CE2 3.73Å; K249-F251 HydrophobicContact CB-CZ 4.04Å; K249-F251 VanDerWaalsContact O-CD2 3.27Å; K249-F251 WeakPolarHBondContact O-CD2 3.2Å; K249-F251 VanDerWaalsContact O-CE2 3.24Å; K249-F251 WeakPolarHBondContact O-CE2 3.47Å; F251-L257 HydrophobicContact CB-CB 4.1Å; F251-L257 HydrophobicContact CD2-CB 4.01Å; F251-L257 HydrophobicContact CD2-CD1 3.67Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4Å; F251-L257 HydrophobicContact CG-CB 4.13Å; F251-H260 HydrophobicContact CE1-CB 3.7Å; F251-H260 AromaticContact CE1-CG 3.94Å; F251-H260 HydrophobicContact CE2-CB 3.78Å; F251-H260 AromaticContact CE2-CD2 3.34Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.28Å; F251-H260 AromaticContact CE2-CG 3.46Å; F251-H260 VanDerWaalsContact CE2-CG 3.46Å; F251-H260 AromaticContact CE2-NE2 3.99Å; F251-H260 HydrophobicContact CZ-CB 3.29Å; F251-H260 AromaticContact CZ-CD2 3.45Å; F251-H260 VanDerWaalsContact CZ-CD2 3.45Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.45Å; F251-H260 AromaticContact CZ-CE1 3.98Å; F251-H260 AromaticContact CZ-CG 3.05Å; F251-H260 AromaticContact CZ-ND1 3.43Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.31Å |
| 252 | F | 74.1 | Confident | 82.7 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -81.5 | -22.9 | -177.7 | -52.8 | -70.8 | 0 | 0 | 0 | 113.6 | R231 M234 | R231-F252 HydrophobicContact CG-CB 3.87Å; R231-F252 HydrophobicContact CG-CD1 4.19Å; R231-F252 HydrophobicContact CG-CD2 4.16Å; R231-F252 HydrophobicContact CG-CG 3.8Å; M234-F252 HydrophobicContact CB-CD1 3.56Å; M234-F252 HydrophobicContact CB-CE1 3.47Å; M234-F252 VanDerWaalsContact CB-CE1 3.47Å; M234-F252 HydrophobicContact CG-CD1 4.09Å; M234-F252 HydrophobicContact CG-CE1 4.47Å |
| 253 | D | 75.8 | Confident | 83 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -137.4 | 153.9 | 176.7 | 63.6 | 49.2 | 0 | 0 | 0 | 111.6 | S255 S256 L257 | D253-S255 VanDerWaalsContact C-N 3.26Å; D253-S255 PolarHBondContact O-N 2.83Å; D253-S255 PolarHBondContact OD1-N 2.65Å; D253-S256 PolarHBondContact O-N 3.09Å; D253-S256 WeakPolarHBondContact OD1-CA 3.43Å; D253-S256 WeakPolarHBondContact OD1-CB 3.48Å; D253-S256 PolarHBondContact OD1-N 3.49Å; D253-S256 PolarHBondContact OD1-OG 3.37Å; D253-S256 PolarHBondContact OD2-OG 3.07Å; D253-L257 PolarHBondContact O-N 3.46Å |
| 254 | R | 79.7 | Confident | 83.1 | Confident | 180 Ų | 180 | 69.7 Ų | 69.7 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.8 | -34.9 | -179.1 | -168.8 | 173.8 | 179.5 | 145.3 | -0.4 | 111.8 | Y242 S256 L257 T258 | Y242-R254 HydrophobicContact CD1-CB 4.04Å; Y242-R254 HydrophobicContact CD1-CG 4.38Å; Y242-R254 HydrophobicContact CE1-CB 3.83Å; Y242-R254 HydrophobicContact CE1-CG 4.31Å; Y242-R254 HydrophobicContact CE2-CB 4.42Å; Y242-R254 HydrophobicContact CG-CB 4.44Å; R254-S256 PolarHBondContact O-N 3.06Å; R254-L257 PolarHBondContact O-N 3.37Å; R254-T258 PolarHBondContact O-N 3.09Å; R254-T258 PolarHBondContact O-OG1 3.41Å |
| 255 | S | 81.8 | Confident | 83.1 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | D253 T258 V259 | D253-S255 VanDerWaalsContact C-N 3.26Å; D253-S255 PolarHBondContact O-N 2.83Å; D253-S255 PolarHBondContact OD1-N 2.65Å; S255-T258 PolarHBondContact O-N 2.84Å; S255-V259 WeakPolarHBondContact O-CG2 3.43Å; S255-V259 PolarHBondContact O-N 2.79Å |
| 256 | S | 83.1 | Confident | 83 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | D253 R254 V259 H260 | D253-S256 PolarHBondContact O-N 3.09Å; D253-S256 WeakPolarHBondContact OD1-CA 3.43Å; D253-S256 WeakPolarHBondContact OD1-CB 3.48Å; D253-S256 PolarHBondContact OD1-N 3.49Å; D253-S256 PolarHBondContact OD1-OG 3.37Å; D253-S256 PolarHBondContact OD2-OG 3.07Å; R254-S256 PolarHBondContact O-N 3.06Å; S256-V259 PolarHBondContact O-N 2.91Å; S256-H260 VanDerWaalsContact O-CB 3.26Å; S256-H260 WeakPolarHBondContact O-CB 3.42Å; S256-H260 PolarHBondContact O-N 3.15Å |
| 257 | L | 85.6 | Confident | 83 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 172 | 174.8 | 61.2 | 0 | 0 | 0 | 111.2 | C244 F251 D253 R254 V259 H260 Q261 | C244-L257 HydrophobicContact CB-CD1 3.68Å; F251-L257 HydrophobicContact CB-CB 4.1Å; F251-L257 HydrophobicContact CD2-CB 4.01Å; F251-L257 HydrophobicContact CD2-CD1 3.67Å; F251-L257 HydrophobicContact CD2-CG 4.44Å; F251-L257 HydrophobicContact CE2-CD1 4Å; F251-L257 HydrophobicContact CG-CB 4.13Å; D253-L257 PolarHBondContact O-N 3.46Å; R254-L257 PolarHBondContact O-N 3.37Å; L257-V259 PolarHBondContact O-N 3.13Å; L257-H260 CarbonylContact O-C 3.49Å; L257-H260 WeakPolarHBondContact O-CB 3.38Å; L257-H260 PolarHBondContact O-N 2.95Å; L257-H260 VanDerWaalsContact O-N 3.14Å; L257-Q261 HydrophobicContact CD1-CG 4.07Å; L257-Q261 HydrophobicContact CG-CG 4.36Å; L257-Q261 WeakPolarHBondContact O-CG 3.45Å; L257-Q261 PolarHBondContact O-N 3.07Å |
| 258 | T | 85.6 | Confident | 83.1 | Confident | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 112 | R254 S255 H260 Q261 | R254-T258 PolarHBondContact O-N 3.09Å; R254-T258 PolarHBondContact O-OG1 3.41Å; S255-T258 PolarHBondContact O-N 2.84Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.47Å; T258-Q261 PolarHBondContact O-N 2.8Å |
| 259 | V | 85.3 | Confident | 83.4 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | S255 S256 L257 R262 F280 D281 | S255-V259 WeakPolarHBondContact O-CG2 3.43Å; S255-V259 PolarHBondContact O-N 2.79Å; S256-V259 PolarHBondContact O-N 2.91Å; L257-V259 PolarHBondContact O-N 3.13Å; V259-R262 WeakPolarHBondContact O-CB 3.5Å; V259-R262 PolarHBondContact O-N 3.09Å; V259-F280 HydrophobicContact CG1-CB 4.47Å; V259-D281 HydrophobicContact CG1-CB 4.2Å |
| 260 | H | 86.6 | Confident | 84 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.5 | 172 | 73.1 | 0 | 0 | 0 | 112.9 | C247 F251 S256 L257 T258 R262 I263 H264 | C247-H260 PolarHBondContact SG-NE2 3.27Å; F251-H260 HydrophobicContact CE1-CB 3.7Å; F251-H260 AromaticContact CE1-CG 3.94Å; F251-H260 HydrophobicContact CE2-CB 3.78Å; F251-H260 AromaticContact CE2-CD2 3.34Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.28Å; F251-H260 AromaticContact CE2-CG 3.46Å; F251-H260 VanDerWaalsContact CE2-CG 3.46Å; F251-H260 AromaticContact CE2-NE2 3.99Å; F251-H260 HydrophobicContact CZ-CB 3.29Å; F251-H260 AromaticContact CZ-CD2 3.45Å; F251-H260 VanDerWaalsContact CZ-CD2 3.45Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.45Å; F251-H260 AromaticContact CZ-CE1 3.98Å; F251-H260 AromaticContact CZ-CG 3.05Å; F251-H260 AromaticContact CZ-ND1 3.43Å; F251-H260 WeakPolarHBondContact CZ-ND1 3.31Å; S256-H260 VanDerWaalsContact O-CB 3.26Å; S256-H260 WeakPolarHBondContact O-CB 3.42Å; S256-H260 PolarHBondContact O-N 3.15Å; L257-H260 CarbonylContact O-C 3.49Å; L257-H260 WeakPolarHBondContact O-CB 3.38Å; L257-H260 PolarHBondContact O-N 2.95Å; L257-H260 VanDerWaalsContact O-N 3.14Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.47Å; H260-R262 PolarHBondContact O-N 3.46Å; H260-R262 VanDerWaalsContact O-N 3.13Å; H260-I263 WeakPolarHBondContact O-CB 3.38Å; H260-I263 VanDerWaalsContact O-CG1 3.32Å; H260-I263 WeakPolarHBondContact O-CG1 3.4Å; H260-I263 PolarHBondContact O-N 3.35Å; H260-H264 AromaticContact CD2-NE2 3.97Å; H260-H264 AromaticContact CE1-NE2 3.83Å; H260-H264 AromaticContact NE2-CD2 3.96Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.09Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å |
| 261 | Q | 85.5 | Confident | 84.5 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -28.9 | 178.5 | -78.2 | 171.6 | -28.9 | 0 | 0 | 112.2 | L257 T258 I263 H264 T265 | L257-Q261 HydrophobicContact CD1-CG 4.07Å; L257-Q261 HydrophobicContact CG-CG 4.36Å; L257-Q261 WeakPolarHBondContact O-CG 3.45Å; L257-Q261 PolarHBondContact O-N 3.07Å; T258-Q261 PolarHBondContact O-N 2.8Å; Q261-I263 PolarHBondContact O-N 3.17Å; Q261-I263 VanDerWaalsContact O-N 3.16Å; Q261-H264 PolarHBondContact O-N 2.78Å; Q261-T265 PolarHBondContact O-N 3.07Å |
| 262 | R | 87.3 | Confident | 85.2 | Confident | 55 Ų | 55 | 72 Ų | 72 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -21.1 | 173.8 | -62.1 | 179.3 | 179 | 155.1 | 4.1 | 114 | V259 H260 H264 T265 G266 E267 F280 | V259-R262 WeakPolarHBondContact O-CB 3.5Å; V259-R262 PolarHBondContact O-N 3.09Å; H260-R262 PolarHBondContact O-N 3.46Å; H260-R262 VanDerWaalsContact O-N 3.13Å; R262-H264 VanDerWaalsContact C-N 3.3Å; R262-T265 WeakPolarHBondContact CA-OG1 3.26Å; R262-G266 CarbonylContact O-C 3.58Å; R262-G266 WeakPolarHBondContact O-CA 3.49Å; R262-G266 PolarHBondContact O-N 2.99Å; R262-E267 WeakPolarHBondContact CB-O 3.45Å; R262-E267 PolarHBondContact O-N 2.9Å; R262-F280 HydrophobicContact CB-CD1 3.7Å; R262-F280 HydrophobicContact CB-CE1 4.36Å; R262-F280 PolarHBondContact NH1-O 2.85Å; R262-F280 VanDerWaalsContact O-CE1 3.26Å; R262-F280 WeakPolarHBondContact O-CE1 3.28Å |
| 263 | I | 84.6 | Confident | 86 | Confident | 98 Ų | 98 | 74.8 Ų | 74.8 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 173.9 | -59.7 | 176 | 0 | 0 | 0 | 110.4 | H260 Q261 F280 | H260-I263 WeakPolarHBondContact O-CB 3.38Å; H260-I263 VanDerWaalsContact O-CG1 3.32Å; H260-I263 WeakPolarHBondContact O-CG1 3.4Å; H260-I263 PolarHBondContact O-N 3.35Å; Q261-I263 PolarHBondContact O-N 3.17Å; Q261-I263 VanDerWaalsContact O-N 3.16Å; I263-F280 HydrophobicContact CG1-CE2 4.49Å; I263-F280 HydrophobicContact CG1-CZ 4.43Å |
| 264 | H | 85.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 78 Ų | 78 | 34% | 0.343 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -79.1 | -39.5 | 179.9 | -59.3 | -58.3 | 0 | 0 | 0 | 111.9 | C244 V246 C247 H260 Q261 R262 G266 | C244-H264 VanDerWaalsContact SG-CD2 3.59Å; C244-H264 PolarHBondContact SG-NE2 2.76Å; V246-H264 HydrophobicContact CG1-CB 4.39Å; V246-H264 HydrophobicContact CG2-CB 4.5Å; C247-H264 PolarHBondContact SG-NE2 3.15Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å; H260-H264 AromaticContact CD2-NE2 3.97Å; H260-H264 AromaticContact CE1-NE2 3.83Å; H260-H264 AromaticContact NE2-CD2 3.96Å; H260-H264 AromaticContact NE2-NE2 3.17Å; H260-H264 PolarHBondContact NE2-NE2 3.09Å; H260-H264 VanDerWaalsContact NE2-NE2 3.17Å; Q261-H264 PolarHBondContact O-N 2.78Å; R262-H264 VanDerWaalsContact C-N 3.3Å; H264-G266 VanDerWaalsContact C-N 3.3Å |
| 265 | T | 85.3 | Confident | 87.2 | Confident | 87 Ų | 87 | 72 Ų | 72 | 53% | 0.534 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78 | -17.8 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | Q261 R262 E267 | Q261-T265 PolarHBondContact O-N 3.07Å; R262-T265 WeakPolarHBondContact CA-OG1 3.26Å; T265-E267 PolarHBondContact O-N 3.36Å; T265-E267 WeakPolarHBondContact OG1-CB 3.45Å; T265-E267 WeakPolarHBondContact OG1-CG 3.28Å; T265-E267 PolarHBondContact OG1-N 3.33Å |
| 266 | G | 83.5 | Confident | 87.5 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | trans | 72.7 | 1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R262 H264 K268 | R262-G266 CarbonylContact O-C 3.58Å; R262-G266 WeakPolarHBondContact O-CA 3.49Å; R262-G266 PolarHBondContact O-N 2.99Å; H264-G266 VanDerWaalsContact C-N 3.3Å; G266-K268 PolarHBondContact O-N 3.22Å | ||
| 267 | E | 85.4 | Confident | 87.8 | Confident | 118 Ų | 118 | 71.7 Ų | 71.7 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | trans | -62.6 | 125.4 | -179.6 | -72.7 | -177.7 | 171.6 | 0 | 0 | 111.2 | R262 T265 P269 F280 | R262-E267 WeakPolarHBondContact CB-O 3.45Å; R262-E267 PolarHBondContact O-N 2.9Å; T265-E267 PolarHBondContact O-N 3.36Å; T265-E267 WeakPolarHBondContact OG1-CB 3.45Å; T265-E267 WeakPolarHBondContact OG1-CG 3.28Å; T265-E267 PolarHBondContact OG1-N 3.33Å; E267-P269 WeakPolarHBondContact O-CD 3.41Å; E267-F280 WeakPolarHBondContact O-CD1 3.33Å | ||
| 268 | K | 88.4 | Confident | 88 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | trans | -126.3 | 81.1 | 177.7 | -71 | 167.4 | 179.3 | 178.2 | 0 | 109.3 | G266 F270 A278 F279 F280 | G266-K268 PolarHBondContact O-N 3.22Å; K268-F270 PolarHBondContact O-N 3.45Å; K268-F270 VanDerWaalsContact O-N 3.13Å; K268-A278 HydrophobicContact CB-CB 3.42Å; K268-A278 VanDerWaalsContact CB-CB 3.42Å; K268-A278 HydrophobicContact CD-CB 4.18Å; K268-A278 WeakPolarHBondContact CD-O 3.29Å; K268-A278 HydrophobicContact CG-CB 4.41Å; K268-F279 CarbonylContact C-O 3.25Å; K268-F279 WeakPolarHBondContact CA-O 3.28Å; K268-F280 HydrophobicContact CD-CE1 4.28Å; K268-F280 HydrophobicContact CD-CZ 4.34Å; K268-F280 HydrophobicContact CG-CD1 3.74Å; K268-F280 HydrophobicContact CG-CE1 3.57Å; K268-F280 HydrophobicContact CG-CG 4.37Å; K268-F280 HydrophobicContact CG-CZ 4.07Å | ||
| 269 | P | 88.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | trans | -64.6 | -20.8 | -171.8 | -23.1 | 34.5 | 0 | 0 | 0 | 113.9 | E267 | E267-P269 WeakPolarHBondContact O-CD 3.41Š| ||
| 270 | F | 90.7 | Very high | 88.2 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 25% | 0.254 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 95.3 | -171.7 | -57.9 | -77 | 0 | 0 | 0 | 110.8 | K268 A278 F279 D281 R282 L285 | K268-F270 PolarHBondContact O-N 3.45Å; K268-F270 VanDerWaalsContact O-N 3.13Å; F270-A278 CarbonylContact O-C 3.58Å; F270-A278 WeakPolarHBondContact O-CA 3.37Å; F270-F279 HydrophobicContact CB-CB 4.32Å; F270-F279 PolarHBondContact N-O 3.18Å; F270-F279 PolarHBondContact O-N 3.03Å; F270-D281 VanDerWaalsContact CD2-CA 3.44Å; F270-R282 HydrophobicContact CD1-CB 4.07Å; F270-R282 HydrophobicContact CD1-CG 4.47Å; F270-R282 HydrophobicContact CE1-CB 3.88Å; F270-R282 HydrophobicContact CE1-CG 4.45Å; F270-R282 HydrophobicContact CZ-CB 4.21Å; F270-L285 HydrophobicContact CB-CB 4.13Å; F270-L285 HydrophobicContact CB-CD2 3.93Å |
| 271 | Q | 92.4 | Very high | 88.1 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.1 | 178.9 | -164.4 | 173.5 | 19.5 | 0 | 0 | 112.4 | G276 | Q271-G276 WeakPolarHBondContact CG-O 3.39Å; Q271-G276 PolarHBondContact NE2-O 2.77Å |
| 272 | C | 93.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | trans | -81.3 | 119.8 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | E274 C275 G276 K277 F279 L285 H292 | C272-E274 PolarHBondContact O-N 3.2Å; C272-C275 VanDerWaalsContact SG-SG 3.7Å; C272-G276 WeakPolarHBondContact O-CA 3.45Å; C272-G276 PolarHBondContact O-N 3.29Å; C272-K277 VanDerWaalsContact CB-O 3.31Å; C272-K277 WeakPolarHBondContact CB-O 2.77Å; C272-K277 PolarHBondContact N-O 3.35Å; C272-F279 HydrophobicContact CB-CE2 4.36Å; C272-L285 HydrophobicContact CB-CD1 3.66Å; C272-H292 PolarHBondContact SG-NE2 3.39Å | ||
| 273 | N | 91.4 | Very high | 88.2 | Confident | 156 Ų | 156 | 80.9 Ų | 80.9 | 83% | 0.834 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.7 | -178.8 | -63.4 | -12.3 | 0 | 0 | 0 | 113.3 | ||
| 274 | E | 89.3 | Confident | 88.4 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -32.2 | -174 | -63.2 | 178.7 | -131.6 | 0 | 0 | 113.8 | C272 H292 | C272-E274 PolarHBondContact O-N 3.2Å; E274-H292 WeakPolarHBondContact OE2-CB 3.37Å; E274-H292 IonicContact OE2-CD2 2.95Å; E274-H292 IonicContact OE2-CG 2.98Å |
| 275 | C | 90.8 | Very high | 88.7 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 37% | 0.372 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 4.5 | -177.2 | 73.6 | 0 | 0 | 0 | 0 | 114.4 | C272 K277 H288 | C272-C275 VanDerWaalsContact SG-SG 3.7Å; C275-K277 PolarHBondContact O-N 2.81Å; C275-K277 VanDerWaalsContact SG-CG 3.58Å; C275-H288 PolarHBondContact SG-NE2 3.31Å |
| 276 | G | 87.9 | Confident | 88.9 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | trans | 68.3 | -1.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q271 C272 A278 | Q271-G276 WeakPolarHBondContact CG-O 3.39Å; Q271-G276 PolarHBondContact NE2-O 2.77Å; C272-G276 WeakPolarHBondContact O-CA 3.45Å; C272-G276 PolarHBondContact O-N 3.29Å; G276-A278 PolarHBondContact O-N 3.49Å | ||
| 277 | K | 89.6 | Confident | 89.2 | Confident | 91 Ų | 91 | 77 Ų | 77 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | trans | -67.8 | 131.6 | -179.8 | -71.8 | 179.7 | -178.2 | 174.9 | 0 | 110.8 | C272 C275 F279 | C272-K277 VanDerWaalsContact CB-O 3.31Å; C272-K277 WeakPolarHBondContact CB-O 2.77Å; C272-K277 PolarHBondContact N-O 3.35Å; C275-K277 PolarHBondContact O-N 2.81Å; C275-K277 VanDerWaalsContact SG-CG 3.58Å; K277-F279 HydrophobicContact CB-CE2 4.06Å; K277-F279 HydrophobicContact CB-CZ 4.19Å; K277-F279 WeakPolarHBondContact O-CE2 3.2Å | ||
| 278 | A | 91.4 | Very high | 89.5 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 148.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K268 F270 G276 | K268-A278 HydrophobicContact CB-CB 3.42Å; K268-A278 VanDerWaalsContact CB-CB 3.42Å; K268-A278 HydrophobicContact CD-CB 4.18Å; K268-A278 WeakPolarHBondContact CD-O 3.29Å; K268-A278 HydrophobicContact CG-CB 4.41Å; F270-A278 CarbonylContact O-C 3.58Å; F270-A278 WeakPolarHBondContact O-CA 3.37Å; G276-A278 PolarHBondContact O-N 3.49Å |
| 279 | F | 89.1 | Confident | 89.6 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 18% | 0.18 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.8 | -174.5 | -60.3 | -88.1 | 0 | 0 | 0 | 111.7 | K268 F270 C272 K277 L285 H288 | K268-F279 CarbonylContact C-O 3.25Å; K268-F279 WeakPolarHBondContact CA-O 3.28Å; F270-F279 HydrophobicContact CB-CB 4.32Å; F270-F279 PolarHBondContact N-O 3.18Å; F270-F279 PolarHBondContact O-N 3.03Å; C272-F279 HydrophobicContact CB-CE2 4.36Å; K277-F279 HydrophobicContact CB-CE2 4.06Å; K277-F279 HydrophobicContact CB-CZ 4.19Å; K277-F279 WeakPolarHBondContact O-CE2 3.2Å; F279-L285 HydrophobicContact CB-CB 4.35Å; F279-L285 HydrophobicContact CD2-CB 3.93Å; F279-L285 HydrophobicContact CD2-CD1 3.79Å; F279-L285 HydrophobicContact CD2-CG 4.47Å; F279-L285 HydrophobicContact CE2-CD1 3.98Å; F279-L285 HydrophobicContact CG-CB 4.3Å; F279-H288 HydrophobicContact CE1-CB 3.84Å; F279-H288 HydrophobicContact CE2-CB 3.77Å; F279-H288 AromaticContact CE2-CD2 3.41Å; F279-H288 VanDerWaalsContact CE2-CD2 3.41Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.34Å; F279-H288 AromaticContact CE2-CG 3.55Å; F279-H288 HydrophobicContact CZ-CB 3.32Å; F279-H288 AromaticContact CZ-CD2 3.48Å; F279-H288 VanDerWaalsContact CZ-CD2 3.48Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.39Å; F279-H288 AromaticContact CZ-CG 3.13Å; F279-H288 AromaticContact CZ-ND1 3.61Å |
| 280 | F | 85.6 | Confident | 89.8 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76.9 | -25.7 | -179.9 | -59.6 | -68.4 | 0 | 0 | 0 | 113.3 | V259 R262 I263 E267 K268 | V259-F280 HydrophobicContact CG1-CB 4.47Å; R262-F280 HydrophobicContact CB-CD1 3.7Å; R262-F280 HydrophobicContact CB-CE1 4.36Å; R262-F280 PolarHBondContact NH1-O 2.85Å; R262-F280 VanDerWaalsContact O-CE1 3.26Å; R262-F280 WeakPolarHBondContact O-CE1 3.28Å; I263-F280 HydrophobicContact CG1-CE2 4.49Å; I263-F280 HydrophobicContact CG1-CZ 4.43Å; E267-F280 WeakPolarHBondContact O-CD1 3.33Å; K268-F280 HydrophobicContact CD-CE1 4.28Å; K268-F280 HydrophobicContact CD-CZ 4.34Å; K268-F280 HydrophobicContact CG-CD1 3.74Å; K268-F280 HydrophobicContact CG-CE1 3.57Å; K268-F280 HydrophobicContact CG-CG 4.37Å; K268-F280 HydrophobicContact CG-CZ 4.07Å |
| 281 | D | 84.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -137.9 | 161.3 | 178.7 | 66.3 | 34.1 | 0 | 0 | 0 | 112.1 | V259 F270 S283 S284 L285 | V259-D281 HydrophobicContact CG1-CB 4.2Å; F270-D281 VanDerWaalsContact CD2-CA 3.44Å; D281-S283 PolarHBondContact OD1-N 2.9Å; D281-S284 WeakPolarHBondContact OD1-CA 3.39Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-OG 3.34Å; D281-L285 PolarHBondContact O-N 3.33Å |
| 282 | R | 87.3 | Confident | 89.6 | Confident | 183 Ų | 183 | 70.1 Ų | 70.1 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | -179.3 | -170.1 | 172.4 | -178.5 | 145.9 | -0.1 | 112 | F270 S284 L285 T286 | F270-R282 HydrophobicContact CD1-CB 4.07Å; F270-R282 HydrophobicContact CD1-CG 4.47Å; F270-R282 HydrophobicContact CE1-CB 3.88Å; F270-R282 HydrophobicContact CE1-CG 4.45Å; F270-R282 HydrophobicContact CZ-CB 4.21Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 3.01Å; R282-L285 WeakPolarHBondContact O-CB 3.45Å; R282-L285 PolarHBondContact O-N 3.46Å; R282-T286 PolarHBondContact O-N 3.45Å; R282-T286 PolarHBondContact O-OG1 3.5Å |
| 283 | S | 87.1 | Confident | 89.3 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | D281 T286 R287 | D281-S283 PolarHBondContact OD1-N 2.9Å; S283-T286 PolarHBondContact O-N 2.89Å; S283-R287 WeakPolarHBondContact O-CB 3.25Å; S283-R287 PolarHBondContact O-N 2.99Å |
| 284 | S | 89.1 | Confident | 89.1 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 175.6 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | D281 R282 R287 H288 | D281-S284 WeakPolarHBondContact OD1-CA 3.39Å; D281-S284 WeakPolarHBondContact OD1-CB 3.48Å; D281-S284 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-OG 3.34Å; R282-S284 VanDerWaalsContact C-N 3.32Å; R282-S284 PolarHBondContact O-N 3.01Å; S284-R287 PolarHBondContact O-N 3.4Å; S284-R287 PolarHBondContact OG-NH2 3.18Å; S284-H288 VanDerWaalsContact O-CB 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.37Å; S284-H288 PolarHBondContact O-N 3.31Å |
| 285 | L | 91.8 | Very high | 89.1 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | 172.2 | 173.1 | 61.7 | 0 | 0 | 0 | 111 | F270 C272 F279 D281 R282 R287 H288 Q289 | F270-L285 HydrophobicContact CB-CB 4.13Å; F270-L285 HydrophobicContact CB-CD2 3.93Å; C272-L285 HydrophobicContact CB-CD1 3.66Å; F279-L285 HydrophobicContact CB-CB 4.35Å; F279-L285 HydrophobicContact CD2-CB 3.93Å; F279-L285 HydrophobicContact CD2-CD1 3.79Å; F279-L285 HydrophobicContact CD2-CG 4.47Å; F279-L285 HydrophobicContact CE2-CD1 3.98Å; F279-L285 HydrophobicContact CG-CB 4.3Å; D281-L285 PolarHBondContact O-N 3.33Å; R282-L285 WeakPolarHBondContact O-CB 3.45Å; R282-L285 PolarHBondContact O-N 3.46Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.87Å; L285-H288 CarbonylContact O-C 3.57Å; L285-H288 WeakPolarHBondContact O-CA 3.49Å; L285-H288 WeakPolarHBondContact O-CB 3.28Å; L285-H288 PolarHBondContact O-N 3.13Å; L285-Q289 HydrophobicContact CD1-CG 4.19Å; L285-Q289 WeakPolarHBondContact O-CG 3.35Å; L285-Q289 PolarHBondContact O-N 2.95Å |
| 286 | T | 90 | Very high | 89.1 | Confident | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 178 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | R282 S283 H288 Q289 | R282-T286 PolarHBondContact O-N 3.45Å; R282-T286 PolarHBondContact O-OG1 3.5Å; S283-T286 PolarHBondContact O-N 2.89Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.3Å; T286-Q289 PolarHBondContact O-N 2.96Å |
| 287 | R | 90.6 | Very high | 89.2 | Confident | 113 Ų | 113 | 69.9 Ų | 69.9 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 175.1 | -178.2 | 175.1 | 65.1 | -161.1 | -10.8 | 112.4 | S283 S284 L285 R290 Q309 | S283-R287 WeakPolarHBondContact O-CB 3.25Å; S283-R287 PolarHBondContact O-N 2.99Å; S284-R287 PolarHBondContact O-N 3.4Å; S284-R287 PolarHBondContact OG-NH2 3.18Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.87Å; R287-R290 WeakPolarHBondContact O-CB 2.86Å; R287-Q309 HydrophobicContact CG-CG 4.21Å |
| 288 | H | 91.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 176.8 | 168.2 | 70.4 | 0 | 0 | 0 | 112.3 | C275 F279 S284 L285 T286 R290 I291 H292 | C275-H288 PolarHBondContact SG-NE2 3.31Å; F279-H288 HydrophobicContact CE1-CB 3.84Å; F279-H288 HydrophobicContact CE2-CB 3.77Å; F279-H288 AromaticContact CE2-CD2 3.41Å; F279-H288 VanDerWaalsContact CE2-CD2 3.41Å; F279-H288 WeakPolarHBondContact CE2-CD2 3.34Å; F279-H288 AromaticContact CE2-CG 3.55Å; F279-H288 HydrophobicContact CZ-CB 3.32Å; F279-H288 AromaticContact CZ-CD2 3.48Å; F279-H288 VanDerWaalsContact CZ-CD2 3.48Å; F279-H288 WeakPolarHBondContact CZ-CD2 3.39Å; F279-H288 AromaticContact CZ-CG 3.13Å; F279-H288 AromaticContact CZ-ND1 3.61Å; S284-H288 VanDerWaalsContact O-CB 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.37Å; S284-H288 PolarHBondContact O-N 3.31Å; L285-H288 CarbonylContact O-C 3.57Å; L285-H288 WeakPolarHBondContact O-CA 3.49Å; L285-H288 WeakPolarHBondContact O-CB 3.28Å; L285-H288 PolarHBondContact O-N 3.13Å; T286-H288 VanDerWaalsContact C-N 3.3Å; T286-H288 PolarHBondContact O-N 3.3Å; H288-R290 PolarHBondContact O-N 2.9Å; H288-R290 VanDerWaalsContact O-N 3.13Å; H288-I291 VanDerWaalsContact O-CB 3.25Å; H288-I291 WeakPolarHBondContact O-CB 3.34Å; H288-I291 WeakPolarHBondContact O-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.26Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.77Å; H288-H292 AromaticContact NE2-CE1 3.92Å; H288-H292 AromaticContact NE2-NE2 3.18Å; H288-H292 PolarHBondContact NE2-NE2 2.84Å; H288-H292 VanDerWaalsContact NE2-NE2 3.18Å |
| 289 | Q | 90.8 | Very high | 89.4 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.8 | -29.1 | 178.8 | -75 | 171.6 | -45.8 | 0 | 0 | 112.7 | L285 T286 I291 H292 T293 | L285-Q289 HydrophobicContact CD1-CG 4.19Å; L285-Q289 WeakPolarHBondContact O-CG 3.35Å; L285-Q289 PolarHBondContact O-N 2.95Å; T286-Q289 PolarHBondContact O-N 2.96Å; Q289-I291 PolarHBondContact O-N 2.83Å; Q289-H292 PolarHBondContact O-N 2.61Å; Q289-T293 PolarHBondContact O-N 3.36Å; Q289-T293 VanDerWaalsContact O-N 3.15Å |
| 290 | R | 91.5 | Very high | 89.7 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.5 | -21.6 | 173 | -62.8 | -177.6 | -175.7 | 171.9 | -0.2 | 114.3 | R287 H288 H292 T293 G294 E295 S308 | R287-R290 WeakPolarHBondContact O-CB 2.86Å; H288-R290 PolarHBondContact O-N 2.9Å; H288-R290 VanDerWaalsContact O-N 3.13Å; R290-H292 VanDerWaalsContact C-N 3.32Å; R290-T293 WeakPolarHBondContact CA-OG1 3.2Å; R290-G294 WeakPolarHBondContact O-CA 3.39Å; R290-G294 PolarHBondContact O-N 2.93Å; R290-E295 HydrophobicContact CG-CB 4.36Å; R290-E295 PolarHBondContact O-N 3.14Å; R290-S308 PolarHBondContact NH1-O 2.89Å |
| 291 | I | 89.2 | Confident | 89.9 | Confident | 121 Ų | 121 | 76 Ų | 76 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.4 | -35.4 | 175.9 | -61.4 | 175.3 | 0 | 0 | 0 | 110.6 | H288 Q289 | H288-I291 VanDerWaalsContact O-CB 3.25Å; H288-I291 WeakPolarHBondContact O-CB 3.34Å; H288-I291 WeakPolarHBondContact O-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.26Å; Q289-I291 PolarHBondContact O-N 2.83Å |
| 292 | H | 89.4 | Confident | 90.1 | Very high | 60 Ų | 60 | 80 Ų | 80 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -85.8 | -40.7 | -178.3 | -50.7 | -55.1 | 0 | 0 | 0 | 112.2 | C272 E274 H288 Q289 R290 G294 | C272-H292 PolarHBondContact SG-NE2 3.39Å; E274-H292 WeakPolarHBondContact OE2-CB 3.37Å; E274-H292 IonicContact OE2-CD2 2.95Å; E274-H292 IonicContact OE2-CG 2.98Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.77Å; H288-H292 AromaticContact NE2-CE1 3.92Å; H288-H292 AromaticContact NE2-NE2 3.18Å; H288-H292 PolarHBondContact NE2-NE2 2.84Å; H288-H292 VanDerWaalsContact NE2-NE2 3.18Å; Q289-H292 PolarHBondContact O-N 2.61Å; R290-H292 VanDerWaalsContact C-N 3.32Å; H292-G294 PolarHBondContact O-N 3.13Å |
| 293 | T | 88.6 | Confident | 90.3 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.4 | -18.5 | 176.3 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | Q289 R290 E295 | Q289-T293 PolarHBondContact O-N 3.36Å; Q289-T293 VanDerWaalsContact O-N 3.15Å; R290-T293 WeakPolarHBondContact CA-OG1 3.2Å; T293-E295 PolarHBondContact O-N 3.02Å; T293-E295 WeakPolarHBondContact OG1-CB 3.45Å; T293-E295 WeakPolarHBondContact OG1-CG 3.24Å; T293-E295 PolarHBondContact OG1-N 3.19Å |
| 294 | G | 87.1 | Confident | 90.3 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | trans | 71.4 | 6.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R290 H292 S296 | R290-G294 WeakPolarHBondContact O-CA 3.39Å; R290-G294 PolarHBondContact O-N 2.93Å; H292-G294 PolarHBondContact O-N 3.13Å; G294-S296 PolarHBondContact O-N 3.27Å | ||
| 295 | E | 89.1 | Confident | 90.3 | Very high | 114 Ų | 114 | 76.4 Ų | 76.4 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | trans | -60.7 | 123.8 | 179.9 | -77.2 | -178.9 | -179.6 | 0 | 0 | 111.3 | R290 T293 | R290-E295 HydrophobicContact CG-CB 4.36Å; R290-E295 PolarHBondContact O-N 3.14Å; T293-E295 PolarHBondContact O-N 3.02Å; T293-E295 WeakPolarHBondContact OG1-CB 3.45Å; T293-E295 WeakPolarHBondContact OG1-CG 3.24Å; T293-E295 PolarHBondContact OG1-N 3.19Å | ||
| 296 | S | 89.2 | Confident | 90.4 | Very high | 48 Ų | 48 | 77.6 Ų | 77.6 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | trans | -130.1 | 75.9 | 177.7 | 41.2 | 0 | 0 | 0 | 0 | 110 | G294 Y298 A306 F307 | G294-S296 PolarHBondContact O-N 3.27Å; S296-Y298 PolarHBondContact O-N 3.46Å; S296-A306 WeakPolarHBondContact OG-CB 3.29Å; S296-F307 CarbonylContact C-O 3.58Å; S296-F307 VanDerWaalsContact C-O 3.25Å; S296-F307 WeakPolarHBondContact CA-O 3.37Å | ||
| 297 | P | 90.9 | Very high | 90.4 | Very high | 77 Ų | 77 | 76.3 Ų | 76.3 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | trans | -65.4 | -8.3 | -170.1 | -22 | 34.1 | 0 | 0 | 0 | 115.2 | ||||
| 298 | Y | 93.2 | Very high | 90.4 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 96.1 | -173.1 | -54.7 | -73.9 | 0 | 0 | 0 | 110.1 | S296 A306 F307 K310 | S296-Y298 PolarHBondContact O-N 3.46Å; Y298-A306 CarbonylContact O-C 3.35Å; Y298-F307 WeakPolarHBondContact CB-O 3.46Å; Y298-F307 WeakPolarHBondContact CD2-O 3.45Å; Y298-F307 PolarHBondContact N-O 2.66Å; Y298-F307 VanDerWaalsContact N-O 3.16Å; Y298-F307 PolarHBondContact O-N 3.46Å; Y298-K310 HydrophobicContact CD1-CB 3.85Å; Y298-K310 HydrophobicContact CD1-CG 4.32Å; Y298-K310 HydrophobicContact CD2-CB 4.48Å; Y298-K310 VanDerWaalsContact CD2-N 3.27Å; Y298-K310 HydrophobicContact CE1-CB 3.72Å; Y298-K310 HydrophobicContact CE1-CG 4.35Å; Y298-K310 HydrophobicContact CE2-CB 4.34Å; Y298-K310 HydrophobicContact CG-CB 4.23Å |
| 299 | E | 93 | Very high | 90.3 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140 | -179.6 | -165.3 | -179.7 | 159.5 | 0 | 0 | 112.7 | G304 | E299-G304 WeakPolarHBondContact OE1-CA 3.36Å |
| 300 | C | 93.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | trans | -84.9 | 109.3 | 170.7 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | Q302 C303 G304 K305 F307 L313 H320 | C300-Q302 PolarHBondContact O-N 2.69Å; C300-C303 PolarHBondContact O-N 3.26Å; C300-G304 WeakPolarHBondContact O-CA 3.34Å; C300-G304 PolarHBondContact O-N 3.25Å; C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 3.05Å; C300-F307 HydrophobicContact CB-CE2 4.29Å; C300-L313 HydrophobicContact CB-CD1 3.58Å; C300-H320 PolarHBondContact SG-NE2 3.04Å; C300-H320 VanDerWaalsContact SG-NE2 3.43Å | ||
| 301 | H | 90.4 | Very high | 90.1 | Very high | 172 Ų | 172 | 78.8 Ų | 78.8 | 80% | 0.796 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -20.7 | 179.2 | -55.1 | -47.9 | 0 | 0 | 0 | 114.7 | ||
| 302 | Q | 89.5 | Confident | 90.2 | Very high | 132 Ų | 132 | 75.4 Ų | 75.4 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -22.6 | -178.8 | -62.1 | -170.1 | 23.8 | 0 | 0 | 114.3 | C300 | C300-Q302 PolarHBondContact O-N 2.69Š|
| 303 | C | 90.2 | Very high | 90.3 | Very high | 54 Ų | 54 | 73.3 Ų | 73.3 | 37% | 0.365 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | 7.6 | -178.9 | 66.8 | 0 | 0 | 0 | 0 | 115 | C300 K305 H316 H320 | C300-C303 PolarHBondContact O-N 3.26Å; C303-K305 PolarHBondContact O-N 2.7Å; C303-K305 VanDerWaalsContact O-N 3.07Å; C303-H316 PolarHBondContact SG-NE2 3.26Å; C303-H320 PolarHBondContact SG-NE2 2.76Å; C303-H320 VanDerWaalsContact SG-NE2 3.37Å |
| 304 | G | 88.5 | Confident | 90.4 | Very high | 43 Ų | 43 | 73 Ų | 73 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | trans | 66.1 | 5.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E299 C300 A306 | E299-G304 WeakPolarHBondContact OE1-CA 3.36Å; C300-G304 WeakPolarHBondContact O-CA 3.34Å; C300-G304 PolarHBondContact O-N 3.25Å; G304-A306 PolarHBondContact O-N 2.68Å | ||
| 305 | K | 89.6 | Confident | 90.5 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | trans | -73.6 | 123.3 | -179.4 | -73.8 | -177.2 | -179.5 | 175.3 | 0 | 110.5 | C300 C303 F307 | C300-K305 WeakPolarHBondContact CB-O 3.48Å; C300-K305 PolarHBondContact N-O 3.05Å; C303-K305 PolarHBondContact O-N 2.7Å; C303-K305 VanDerWaalsContact O-N 3.07Å; K305-F307 HydrophobicContact CB-CE2 3.92Å; K305-F307 HydrophobicContact CB-CZ 4.01Å; K305-F307 WeakPolarHBondContact O-CD2 3.48Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.48Å | ||
| 306 | A | 92.5 | Very high | 90.6 | Very high | 46 Ų | 46 | 70.9 Ų | 70.9 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S296 Y298 G304 | S296-A306 WeakPolarHBondContact OG-CB 3.29Å; Y298-A306 CarbonylContact O-C 3.35Å; G304-A306 PolarHBondContact O-N 2.68Å |
| 307 | F | 90.5 | Very high | 90.6 | Very high | 38 Ų | 38 | 72.1 Ų | 72.1 | 17% | 0.167 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.5 | -178.2 | -59.5 | -85.4 | 0 | 0 | 0 | 111.1 | S296 Y298 C300 K305 Q309 I312 L313 H316 | S296-F307 CarbonylContact C-O 3.58Å; S296-F307 VanDerWaalsContact C-O 3.25Å; S296-F307 WeakPolarHBondContact CA-O 3.37Å; Y298-F307 WeakPolarHBondContact CB-O 3.46Å; Y298-F307 WeakPolarHBondContact CD2-O 3.45Å; Y298-F307 PolarHBondContact N-O 2.66Å; Y298-F307 VanDerWaalsContact N-O 3.16Å; Y298-F307 PolarHBondContact O-N 3.46Å; C300-F307 HydrophobicContact CB-CE2 4.29Å; K305-F307 HydrophobicContact CB-CE2 3.92Å; K305-F307 HydrophobicContact CB-CZ 4.01Å; K305-F307 WeakPolarHBondContact O-CD2 3.48Å; K305-F307 VanDerWaalsContact O-CE2 3.28Å; K305-F307 WeakPolarHBondContact O-CE2 3.48Å; F307-Q309 VanDerWaalsContact C-N 3.26Å; F307-Q309 PolarHBondContact O-N 2.91Å; F307-I312 HydrophobicContact CB-CB 4.49Å; F307-I312 HydrophobicContact CD1-CB 4.3Å; F307-I312 HydrophobicContact CD1-CG2 3.53Å; F307-I312 HydrophobicContact CE1-CG2 4.05Å; F307-I312 HydrophobicContact CG-CG2 4.27Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.89Å; F307-L313 HydrophobicContact CD2-CD1 3.77Å; F307-L313 HydrophobicContact CD2-CG 4.43Å; F307-L313 HydrophobicContact CE2-CD1 3.94Å; F307-L313 HydrophobicContact CG-CB 4.33Å; F307-H316 HydrophobicContact CE1-CB 4.16Å; F307-H316 HydrophobicContact CE2-CB 3.92Å; F307-H316 AromaticContact CE2-CD2 3.38Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.34Å; F307-H316 AromaticContact CE2-CG 3.6Å; F307-H316 HydrophobicContact CZ-CB 3.57Å; F307-H316 AromaticContact CZ-CD2 3.47Å; F307-H316 VanDerWaalsContact CZ-CD2 3.47Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.34Å; F307-H316 AromaticContact CZ-CG 3.24Å; F307-H316 AromaticContact CZ-ND1 3.62Å; F307-H316 AromaticContact CZ-NE2 3.94Å |
| 308 | S | 90.3 | Very high | 90.6 | Very high | 40 Ų | 40 | 70.2 Ų | 70.2 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.2 | -12.1 | 177.4 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | R290 | R290-S308 PolarHBondContact NH1-O 2.89Š|
| 309 | Q | 90.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 70.9 Ų | 70.9 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -142.4 | 136.6 | -176.7 | -62.1 | 177.1 | 41.5 | 0 | 0 | 112 | R287 F307 S311 I312 L313 | R287-Q309 HydrophobicContact CG-CG 4.21Å; F307-Q309 VanDerWaalsContact C-N 3.26Å; F307-Q309 PolarHBondContact O-N 2.91Å; Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 3.18Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 HydrophobicContact CB-CG1 3.86Å; Q309-I312 PolarHBondContact O-N 3.2Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; Q309-L313 PolarHBondContact O-N 2.83Å |
| 310 | K | 90.1 | Very high | 90.2 | Very high | 139 Ų | 139 | 69.1 Ų | 69.1 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.2 | -38 | 178.5 | -172.4 | 175.4 | 179.2 | 177.1 | 0 | 113.4 | Y298 I312 L313 T314 | Y298-K310 HydrophobicContact CD1-CB 3.85Å; Y298-K310 HydrophobicContact CD1-CG 4.32Å; Y298-K310 HydrophobicContact CD2-CB 4.48Å; Y298-K310 VanDerWaalsContact CD2-N 3.27Å; Y298-K310 HydrophobicContact CE1-CB 3.72Å; Y298-K310 HydrophobicContact CE1-CG 4.35Å; Y298-K310 HydrophobicContact CE2-CB 4.34Å; Y298-K310 HydrophobicContact CG-CB 4.23Å; K310-I312 VanDerWaalsContact C-N 3.26Å; K310-I312 PolarHBondContact O-N 3.39Å; K310-L313 PolarHBondContact O-N 3.4Å; K310-T314 WeakPolarHBondContact O-CB 3.37Å; K310-T314 PolarHBondContact O-N 3.04Å; K310-T314 PolarHBondContact O-OG1 3.07Å |
| 311 | S | 88.3 | Confident | 90 | Very high | 73 Ų | 73 | 73 Ų | 73 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 178.3 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | Q309 R315 | Q309-S311 VanDerWaalsContact C-N 3.32Å; Q309-S311 PolarHBondContact O-N 3.18Å; S311-R315 WeakPolarHBondContact O-CB 3.42Å; S311-R315 PolarHBondContact O-N 3.29Å |
| 312 | I | 89.6 | Confident | 89.8 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 26% | 0.256 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.4 | -42.3 | 177.8 | -52.1 | -64.5 | 0 | 0 | 0 | 110.2 | F307 Q309 K310 R315 H316 | F307-I312 HydrophobicContact CB-CB 4.49Å; F307-I312 HydrophobicContact CD1-CB 4.3Å; F307-I312 HydrophobicContact CD1-CG2 3.53Å; F307-I312 HydrophobicContact CE1-CG2 4.05Å; F307-I312 HydrophobicContact CG-CG2 4.27Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 HydrophobicContact CB-CG1 3.86Å; Q309-I312 PolarHBondContact O-N 3.2Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; K310-I312 VanDerWaalsContact C-N 3.26Å; K310-I312 PolarHBondContact O-N 3.39Å; I312-R315 PolarHBondContact O-N 3.15Å; I312-H316 VanDerWaalsContact O-CB 3.3Å; I312-H316 WeakPolarHBondContact O-CB 3.28Å; I312-H316 PolarHBondContact O-N 3.37Å |
| 313 | L | 92.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 171.9 | 171.7 | 62.8 | 0 | 0 | 0 | 111.2 | C300 F307 Q309 K310 R315 H316 Q317 | C300-L313 HydrophobicContact CB-CD1 3.58Å; F307-L313 HydrophobicContact CB-CB 4.35Å; F307-L313 HydrophobicContact CD2-CB 3.89Å; F307-L313 HydrophobicContact CD2-CD1 3.77Å; F307-L313 HydrophobicContact CD2-CG 4.43Å; F307-L313 HydrophobicContact CE2-CD1 3.94Å; F307-L313 HydrophobicContact CG-CB 4.33Å; Q309-L313 PolarHBondContact O-N 2.83Å; K310-L313 PolarHBondContact O-N 3.4Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.92Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 WeakPolarHBondContact O-CA 3.04Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.78Å; L313-Q317 HydrophobicContact CD1-CG 4.16Å; L313-Q317 HydrophobicContact CG-CG 4.48Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.11Å |
| 314 | T | 89.6 | Confident | 89.7 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | -179.8 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | K310 H316 Q317 | K310-T314 WeakPolarHBondContact O-CB 3.37Å; K310-T314 PolarHBondContact O-N 3.04Å; K310-T314 PolarHBondContact O-OG1 3.07Å; T314-H316 VanDerWaalsContact C-N 3.34Å; T314-H316 PolarHBondContact O-N 2.84Å; T314-Q317 PolarHBondContact O-N 3.39Å |
| 315 | R | 89.6 | Confident | 89.7 | Confident | 103 Ų | 103 | 73.3 Ų | 73.3 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 174.4 | -178.5 | 173 | 63.4 | -165.8 | 0.7 | 112.3 | S311 I312 L313 L318 Y336 | S311-R315 WeakPolarHBondContact O-CB 3.42Å; S311-R315 PolarHBondContact O-N 3.29Å; I312-R315 PolarHBondContact O-N 3.15Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.92Å; R315-L318 VanDerWaalsContact O-CB 3.31Å; R315-L318 WeakPolarHBondContact O-CB 3.49Å; R315-L318 PolarHBondContact O-N 2.63Å; R315-Y336 WeakPolarHBondContact CG-O 3.27Å |
| 316 | H | 91.2 | Very high | 89.8 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.7 | 168.3 | 72.7 | 0 | 0 | 0 | 112 | C303 F307 I312 L313 T314 L318 I319 H320 | C303-H316 PolarHBondContact SG-NE2 3.26Å; F307-H316 HydrophobicContact CE1-CB 4.16Å; F307-H316 HydrophobicContact CE2-CB 3.92Å; F307-H316 AromaticContact CE2-CD2 3.38Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.34Å; F307-H316 AromaticContact CE2-CG 3.6Å; F307-H316 HydrophobicContact CZ-CB 3.57Å; F307-H316 AromaticContact CZ-CD2 3.47Å; F307-H316 VanDerWaalsContact CZ-CD2 3.47Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.34Å; F307-H316 AromaticContact CZ-CG 3.24Å; F307-H316 AromaticContact CZ-ND1 3.62Å; F307-H316 AromaticContact CZ-NE2 3.94Å; I312-H316 VanDerWaalsContact O-CB 3.3Å; I312-H316 WeakPolarHBondContact O-CB 3.28Å; I312-H316 PolarHBondContact O-N 3.37Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 WeakPolarHBondContact O-CA 3.04Å; L313-H316 WeakPolarHBondContact O-CB 3.43Å; L313-H316 PolarHBondContact O-N 2.78Å; T314-H316 VanDerWaalsContact C-N 3.34Å; T314-H316 PolarHBondContact O-N 2.84Å; H316-L318 PolarHBondContact O-N 2.84Å; H316-L318 VanDerWaalsContact O-N 3.13Å; H316-I319 VanDerWaalsContact O-CB 3.23Å; H316-I319 WeakPolarHBondContact O-CB 3.37Å; H316-I319 WeakPolarHBondContact O-CG1 3.27Å; H316-I319 PolarHBondContact O-N 3Å; H316-H320 AromaticContact CE1-NE2 3.87Å; H316-H320 AromaticContact NE2-CD2 3.97Å; H316-H320 AromaticContact NE2-NE2 3.3Å; H316-H320 PolarHBondContact NE2-NE2 2.96Å |
| 317 | Q | 90.6 | Very high | 89.7 | Confident | 73 Ų | 73 | 75 Ų | 75 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.3 | -26.2 | 176.2 | -72.9 | 169.6 | -26.9 | 0 | 0 | 112.9 | L313 T314 I319 H320 T321 | L313-Q317 HydrophobicContact CD1-CG 4.16Å; L313-Q317 HydrophobicContact CG-CG 4.48Å; L313-Q317 WeakPolarHBondContact O-CG 3.38Å; L313-Q317 PolarHBondContact O-N 3.11Å; T314-Q317 PolarHBondContact O-N 3.39Å; Q317-I319 PolarHBondContact O-N 3.13Å; Q317-H320 PolarHBondContact O-N 3.09Å; Q317-H320 VanDerWaalsContact O-N 3.13Å; Q317-T321 PolarHBondContact O-N 3.22Å |
| 318 | L | 90.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.5 | -25.8 | 173.5 | -59.2 | 175.4 | 0 | 0 | 0 | 113.2 | R315 H316 H320 T321 G322 R323 P325 Y336 | R315-L318 VanDerWaalsContact O-CB 3.31Å; R315-L318 WeakPolarHBondContact O-CB 3.49Å; R315-L318 PolarHBondContact O-N 2.63Å; H316-L318 PolarHBondContact O-N 2.84Å; H316-L318 VanDerWaalsContact O-N 3.13Å; L318-H320 VanDerWaalsContact C-N 3.29Å; L318-H320 PolarHBondContact O-N 3.08Å; L318-T321 WeakPolarHBondContact CA-OG1 3.41Å; L318-T321 PolarHBondContact O-OG1 3.31Å; L318-G322 PolarHBondContact O-N 3.44Å; L318-R323 HydrophobicContact CD2-CB 4.44Å; L318-R323 PolarHBondContact O-N 3.41Å; L318-P325 HydrophobicContact CD1-CG 4.07Å; L318-P325 HydrophobicContact CD2-CG 4.3Å; L318-Y336 HydrophobicContact CB-CD1 3.63Å; L318-Y336 HydrophobicContact CB-CE1 4.27Å; L318-Y336 WeakPolarHBondContact CD1-O 3.36Å; L318-Y336 VanDerWaalsContact O-CE1 3.23Å; L318-Y336 WeakPolarHBondContact O-CE1 3.24Å |
| 319 | I | 89.3 | Confident | 89.8 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 176.1 | -59.8 | 174.3 | 0 | 0 | 0 | 110.3 | H316 Q317 Y336 | H316-I319 VanDerWaalsContact O-CB 3.23Å; H316-I319 WeakPolarHBondContact O-CB 3.37Å; H316-I319 WeakPolarHBondContact O-CG1 3.27Å; H316-I319 PolarHBondContact O-N 3Å; Q317-I319 PolarHBondContact O-N 3.13Å; I319-Y336 HydrophobicContact CG1-CD2 4.47Å; I319-Y336 HydrophobicContact CG1-CE2 4.41Å |
| 320 | H | 89 | Confident | 89.7 | Confident | 68 Ų | 68 | 82 Ų | 82 | 32% | 0.315 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.8 | -38.6 | 180 | -67.1 | -64.5 | 0 | 0 | 0 | 112.7 | C300 C303 H316 Q317 L318 G322 | C300-H320 PolarHBondContact SG-NE2 3.04Å; C300-H320 VanDerWaalsContact SG-NE2 3.43Å; C303-H320 PolarHBondContact SG-NE2 2.76Å; C303-H320 VanDerWaalsContact SG-NE2 3.37Å; H316-H320 AromaticContact CE1-NE2 3.87Å; H316-H320 AromaticContact NE2-CD2 3.97Å; H316-H320 AromaticContact NE2-NE2 3.3Å; H316-H320 PolarHBondContact NE2-NE2 2.96Å; Q317-H320 PolarHBondContact O-N 3.09Å; Q317-H320 VanDerWaalsContact O-N 3.13Å; L318-H320 VanDerWaalsContact C-N 3.29Å; L318-H320 PolarHBondContact O-N 3.08Å; H320-G322 PolarHBondContact O-N 2.75Å |
| 321 | T | 88 | Confident | 89.6 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.6 | -10.7 | 177.2 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | Q317 L318 R323 | Q317-T321 PolarHBondContact O-N 3.22Å; L318-T321 WeakPolarHBondContact CA-OG1 3.41Å; L318-T321 PolarHBondContact O-OG1 3.31Å; T321-R323 PolarHBondContact O-N 2.62Å; T321-R323 PolarHBondContact OG1-N 2.69Å |
| 322 | G | 86.9 | Confident | 89.6 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | trans | 65.9 | -1.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L318 H320 K324 | L318-G322 PolarHBondContact O-N 3.44Å; H320-G322 PolarHBondContact O-N 2.75Å; G322-K324 PolarHBondContact O-N 3.41Å | ||
| 323 | R | 87.6 | Confident | 89.6 | Confident | 188 Ų | 188 | 79.8 Ų | 79.8 | 71% | 0.709 | 41% | 0.407 | S | S | * | . | trans | -69.1 | 129.2 | -179.7 | -75.5 | -169.7 | 173.8 | -131.9 | 1.3 | 110 | L318 T321 P325 Y336 | L318-R323 HydrophobicContact CD2-CB 4.44Å; L318-R323 PolarHBondContact O-N 3.41Å; T321-R323 PolarHBondContact O-N 2.62Å; T321-R323 PolarHBondContact OG1-N 2.69Å; R323-P325 WeakPolarHBondContact O-CD 2.9Å; R323-Y336 WeakPolarHBondContact O-CD1 3.32Å; R323-Y336 VanDerWaalsContact O-CE1 3.25Å; R323-Y336 WeakPolarHBondContact O-CE1 3.38Å | ||
| 324 | K | 90.3 | Very high | 89.6 | Confident | 98 Ų | 98 | 80.6 Ų | 80.6 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | trans | -120.8 | 86.3 | 176.4 | -68.2 | 177.5 | -174.5 | 177.4 | 0 | 108.9 | G322 Y326 A334 F335 Y336 | G322-K324 PolarHBondContact O-N 3.41Å; K324-Y326 PolarHBondContact O-N 3.48Å; K324-Y326 VanDerWaalsContact O-N 3.1Å; K324-A334 HydrophobicContact CB-CB 3.44Å; K324-A334 VanDerWaalsContact CB-CB 3.44Å; K324-A334 HydrophobicContact CD-CB 4Å; K324-A334 WeakPolarHBondContact CD-O 2.95Å; K324-A334 HydrophobicContact CG-CB 4.4Å; K324-F335 CarbonylContact C-O 3.49Å; K324-F335 WeakPolarHBondContact CA-O 3.36Å; K324-Y336 HydrophobicContact CD-CE1 4.36Å; K324-Y336 HydrophobicContact CD-CE2 4.47Å; K324-Y336 VanDerWaalsContact CE-CZ 3.49Å; K324-Y336 WeakPolarHBondContact CE-OH 3.3Å; K324-Y336 HydrophobicContact CG-CD1 3.71Å; K324-Y336 HydrophobicContact CG-CD2 4.48Å; K324-Y336 HydrophobicContact CG-CE1 3.41Å; K324-Y336 VanDerWaalsContact CG-CE1 3.41Å; K324-Y336 HydrophobicContact CG-CE2 4.23Å; K324-Y336 HydrophobicContact CG-CG 4.25Å | ||
| 325 | P | 88.1 | Confident | 89.6 | Confident | 79 Ų | 79 | 79.3 Ų | 79.3 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | trans | -66.5 | -16 | -168.8 | -21.1 | 33.2 | 0 | 0 | 0 | 114.6 | L318 R323 | L318-P325 HydrophobicContact CD1-CG 4.07Å; L318-P325 HydrophobicContact CD2-CG 4.3Å; R323-P325 WeakPolarHBondContact O-CD 2.9Å | ||
| 326 | Y | 90.9 | Very high | 89.5 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 95.9 | -171.1 | -55.6 | -75.1 | 0 | 0 | 0 | 109.5 | K324 A334 F335 V338 | K324-Y326 PolarHBondContact O-N 3.48Å; K324-Y326 VanDerWaalsContact O-N 3.1Å; Y326-A334 CarbonylContact O-C 3.54Å; Y326-A334 WeakPolarHBondContact O-CA 3.47Å; Y326-F335 PolarHBondContact N-O 2.77Å; Y326-F335 PolarHBondContact O-N 3.12Å; Y326-V338 HydrophobicContact CD1-CB 4.44Å; Y326-V338 HydrophobicContact CD1-CG2 3.49Å; Y326-V338 VanDerWaalsContact CD1-CG2 3.49Å; Y326-V338 HydrophobicContact CE1-CB 4.37Å; Y326-V338 HydrophobicContact CE1-CG2 3.1Å; Y326-V338 HydrophobicContact CE2-CG2 4.33Å; Y326-V338 HydrophobicContact CG-CG2 4.24Å |
| 327 | E | 91.3 | Very high | 89.3 | Confident | 116 Ų | 116 | 77 Ų | 77 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141.9 | 179.2 | -168.3 | 170.5 | 172.1 | 0 | 0 | 111.7 | G332 | E327-G332 WeakPolarHBondContact OE1-CA 3.48Å |
| 328 | C | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -84.9 | 115.4 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | E330 C331 G332 K333 F335 L341 | C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 VanDerWaalsContact O-N 3.14Å; C328-C331 PolarHBondContact O-N 3.07Å; C328-G332 WeakPolarHBondContact O-CA 3.38Å; C328-G332 PolarHBondContact O-N 3.33Å; C328-K333 WeakPolarHBondContact CB-O 3.41Å; C328-K333 PolarHBondContact N-O 2.73Å; C328-F335 HydrophobicContact CB-CE2 4.49Å; C328-L341 HydrophobicContact CB-CD1 3.61Å | ||
| 329 | N | 89.8 | Confident | 88.9 | Confident | 156 Ų | 156 | 78.6 Ų | 78.6 | 83% | 0.834 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.9 | 179.4 | -62.9 | -11 | 0 | 0 | 0 | 113.6 | ||
| 330 | E | 88.1 | Confident | 88.8 | Confident | 125 Ų | 125 | 76.2 Ų | 76.2 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -27.5 | -176.8 | -63.4 | -179.5 | -134.5 | 0 | 0 | 113.9 | C328 H348 | C328-E330 PolarHBondContact O-N 3.24Å; C328-E330 VanDerWaalsContact O-N 3.14Å; E330-H348 WeakPolarHBondContact OE2-CB 3.45Å; E330-H348 IonicContact OE2-CG 3.25Å; E330-H348 VanDerWaalsContact OE2-CG 3.25Å; E330-H348 IonicContact OE2-ND1 3.35Å; E330-H348 PolarHBondContact OE2-ND1 3.26Å |
| 331 | C | 89.4 | Confident | 88.8 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | 7.1 | -176.7 | 72 | 0 | 0 | 0 | 0 | 115.5 | C328 K333 H344 H348 | C328-C331 PolarHBondContact O-N 3.07Å; C331-K333 PolarHBondContact O-N 3.45Å; C331-H344 PolarHBondContact SG-NE2 3.47Å; C331-H348 PolarHBondContact SG-NE2 3.34Å |
| 332 | G | 88.1 | Confident | 88.8 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | trans | 66.2 | 5.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E327 C328 A334 | E327-G332 WeakPolarHBondContact OE1-CA 3.48Å; C328-G332 WeakPolarHBondContact O-CA 3.38Å; C328-G332 PolarHBondContact O-N 3.33Å; G332-A334 PolarHBondContact O-N 3.22Å | ||
| 333 | K | 89.3 | Confident | 88.6 | Confident | 124 Ų | 124 | 78 Ų | 78 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | trans | -72.4 | 122.1 | 178.9 | -75.5 | 177.9 | -174.5 | 161.8 | 0 | 110 | C328 C331 F335 | C328-K333 WeakPolarHBondContact CB-O 3.41Å; C328-K333 PolarHBondContact N-O 2.73Å; C331-K333 PolarHBondContact O-N 3.45Å; K333-F335 HydrophobicContact CB-CE2 3.9Å; K333-F335 HydrophobicContact CB-CZ 4.1Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 WeakPolarHBondContact O-CE2 3.19Å | ||
| 334 | A | 91.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 148 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K324 Y326 G332 | K324-A334 HydrophobicContact CB-CB 3.44Å; K324-A334 VanDerWaalsContact CB-CB 3.44Å; K324-A334 HydrophobicContact CD-CB 4Å; K324-A334 WeakPolarHBondContact CD-O 2.95Å; K324-A334 HydrophobicContact CG-CB 4.4Å; Y326-A334 CarbonylContact O-C 3.54Å; Y326-A334 WeakPolarHBondContact O-CA 3.47Å; G332-A334 PolarHBondContact O-N 3.22Å |
| 335 | F | 89.9 | Confident | 88.4 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.1 | -177.6 | -60.2 | -89.9 | 0 | 0 | 0 | 111.8 | K324 Y326 C328 K333 G337 L341 H344 | K324-F335 CarbonylContact C-O 3.49Å; K324-F335 WeakPolarHBondContact CA-O 3.36Å; Y326-F335 PolarHBondContact N-O 2.77Å; Y326-F335 PolarHBondContact O-N 3.12Å; C328-F335 HydrophobicContact CB-CE2 4.49Å; K333-F335 HydrophobicContact CB-CE2 3.9Å; K333-F335 HydrophobicContact CB-CZ 4.1Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 WeakPolarHBondContact O-CE2 3.19Å; F335-G337 VanDerWaalsContact C-N 3.31Å; F335-L341 HydrophobicContact CB-CB 4.46Å; F335-L341 HydrophobicContact CD2-CB 4.03Å; F335-L341 HydrophobicContact CD2-CD1 3.85Å; F335-L341 HydrophobicContact CE2-CD1 4.05Å; F335-L341 HydrophobicContact CG-CB 4.41Å; F335-H344 HydrophobicContact CE1-CB 3.97Å; F335-H344 HydrophobicContact CE2-CB 3.86Å; F335-H344 AromaticContact CE2-CD2 3.24Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.39Å; F335-H344 AromaticContact CE2-CG 3.64Å; F335-H344 AromaticContact CE2-NE2 3.98Å; F335-H344 HydrophobicContact CZ-CB 3.4Å; F335-H344 VanDerWaalsContact CZ-CB 3.4Å; F335-H344 AromaticContact CZ-CD2 3.31Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.21Å; F335-H344 AromaticContact CZ-CG 3.23Å; F335-H344 AromaticContact CZ-ND1 3.91Å; F335-H344 AromaticContact CZ-NE2 3.94Å |
| 336 | Y | 87.1 | Confident | 88.1 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 29% | 0.286 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -80.1 | -8.6 | 176.6 | -61.8 | -68.3 | 0 | 0 | 0 | 113.8 | R315 L318 I319 R323 K324 | R315-Y336 WeakPolarHBondContact CG-O 3.27Å; L318-Y336 HydrophobicContact CB-CD1 3.63Å; L318-Y336 HydrophobicContact CB-CE1 4.27Å; L318-Y336 WeakPolarHBondContact CD1-O 3.36Å; L318-Y336 VanDerWaalsContact O-CE1 3.23Å; L318-Y336 WeakPolarHBondContact O-CE1 3.24Å; I319-Y336 HydrophobicContact CG1-CD2 4.47Å; I319-Y336 HydrophobicContact CG1-CE2 4.41Å; R323-Y336 WeakPolarHBondContact O-CD1 3.32Å; R323-Y336 VanDerWaalsContact O-CE1 3.25Å; R323-Y336 WeakPolarHBondContact O-CE1 3.38Å; K324-Y336 HydrophobicContact CD-CE1 4.36Å; K324-Y336 HydrophobicContact CD-CE2 4.47Å; K324-Y336 VanDerWaalsContact CE-CZ 3.49Å; K324-Y336 WeakPolarHBondContact CE-OH 3.3Å; K324-Y336 HydrophobicContact CG-CD1 3.71Å; K324-Y336 HydrophobicContact CG-CD2 4.48Å; K324-Y336 HydrophobicContact CG-CE1 3.41Å; K324-Y336 VanDerWaalsContact CG-CE1 3.41Å; K324-Y336 HydrophobicContact CG-CE2 4.23Å; K324-Y336 HydrophobicContact CG-CG 4.25Å |
| 337 | G | 88.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -157.7 | 145.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F335 S339 S340 L341 | F335-G337 VanDerWaalsContact C-N 3.31Å; G337-S339 VanDerWaalsContact C-N 3.3Å; G337-S339 PolarHBondContact O-N 3.13Å; G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 3.49Å; G337-L341 PolarHBondContact O-N 2.99Å; G337-L341 VanDerWaalsContact O-N 3.16Å |
| 338 | V | 87.4 | Confident | 87.2 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -51.4 | -44.6 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | Y326 S340 L341 N342 | Y326-V338 HydrophobicContact CD1-CB 4.44Å; Y326-V338 HydrophobicContact CD1-CG2 3.49Å; Y326-V338 VanDerWaalsContact CD1-CG2 3.49Å; Y326-V338 HydrophobicContact CE1-CB 4.37Å; Y326-V338 HydrophobicContact CE1-CG2 3.1Å; Y326-V338 HydrophobicContact CE2-CG2 4.33Å; Y326-V338 HydrophobicContact CG-CG2 4.24Å; V338-S340 PolarHBondContact O-N 3.05Å; V338-L341 CarbonylContact O-C 3.53Å; V338-L341 WeakPolarHBondContact O-CB 3.38Å; V338-L341 PolarHBondContact O-N 3.09Å; V338-L341 VanDerWaalsContact O-N 3.09Å; V338-N342 PolarHBondContact O-N 2.91Å; V338-N342 PolarHBondContact O-OD1 3.29Å |
| 339 | S | 85.4 | Confident | 86.6 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -28.3 | -179.4 | 25.5 | 0 | 0 | 0 | 0 | 113.2 | G337 R343 | G337-S339 VanDerWaalsContact C-N 3.3Å; G337-S339 PolarHBondContact O-N 3.13Å; S339-R343 WeakPolarHBondContact O-CB 3.42Å; S339-R343 PolarHBondContact O-N 3.42Å |
| 340 | S | 86.8 | Confident | 85.6 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.5 | -40.1 | 173 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | G337 V338 R343 H344 | G337-S340 WeakPolarHBondContact O-CB 3.47Å; G337-S340 PolarHBondContact O-N 3.49Å; V338-S340 PolarHBondContact O-N 3.05Å; S340-R343 PolarHBondContact O-N 3.43Å; S340-H344 WeakPolarHBondContact O-CB 3.06Å; S340-H344 PolarHBondContact O-N 3.48Å |
| 341 | L | 89.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 173.1 | 174 | 62.5 | 0 | 0 | 0 | 111.1 | C328 F335 G337 V338 R343 H344 Q345 | C328-L341 HydrophobicContact CB-CD1 3.61Å; F335-L341 HydrophobicContact CB-CB 4.46Å; F335-L341 HydrophobicContact CD2-CB 4.03Å; F335-L341 HydrophobicContact CD2-CD1 3.85Å; F335-L341 HydrophobicContact CE2-CD1 4.05Å; F335-L341 HydrophobicContact CG-CB 4.41Å; G337-L341 PolarHBondContact O-N 2.99Å; G337-L341 VanDerWaalsContact O-N 3.16Å; V338-L341 CarbonylContact O-C 3.53Å; V338-L341 WeakPolarHBondContact O-CB 3.38Å; V338-L341 PolarHBondContact O-N 3.09Å; V338-L341 VanDerWaalsContact O-N 3.09Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.4Å; L341-H344 CarbonylContact O-C 3.59Å; L341-H344 WeakPolarHBondContact O-CA 3.45Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.41Å; L341-Q345 HydrophobicContact CD1-CG 4.05Å; L341-Q345 HydrophobicContact CG-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 2.97Å |
| 342 | N | 86.7 | Confident | 83.8 | Confident | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 179.2 | -68.3 | 6.4 | 0 | 0 | 0 | 111.7 | V338 H344 K346 | V338-N342 PolarHBondContact O-N 2.91Å; V338-N342 PolarHBondContact O-OD1 3.29Å; N342-H344 VanDerWaalsContact C-N 3.32Å; N342-K346 WeakPolarHBondContact O-CG 3.33Å; N342-K346 PolarHBondContact O-N 2.99Å |
| 343 | R | 83.9 | Confident | 83.4 | Confident | 136 Ų | 136 | 68 Ų | 68 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 174 | 178.2 | 174.4 | 58.1 | -178.7 | -2.5 | 111.6 | S339 S340 L341 K346 D365 | S339-R343 WeakPolarHBondContact O-CB 3.42Å; S339-R343 PolarHBondContact O-N 3.42Å; S340-R343 PolarHBondContact O-N 3.43Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.4Å; R343-K346 PolarHBondContact O-N 3.48Å; R343-D365 WeakPolarHBondContact CD-OD2 3.4Å; R343-D365 IonicContact NH1-OD2 3.41Å; R343-D365 PolarHBondContact NH1-OD2 2.95Å |
| 344 | H | 86.4 | Confident | 83.1 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 177.4 | 169.8 | 59.2 | 0 | 0 | 0 | 112.4 | C331 F335 S340 L341 N342 K346 A347 H348 | C331-H344 PolarHBondContact SG-NE2 3.47Å; F335-H344 HydrophobicContact CE1-CB 3.97Å; F335-H344 HydrophobicContact CE2-CB 3.86Å; F335-H344 AromaticContact CE2-CD2 3.24Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.39Å; F335-H344 AromaticContact CE2-CG 3.64Å; F335-H344 AromaticContact CE2-NE2 3.98Å; F335-H344 HydrophobicContact CZ-CB 3.4Å; F335-H344 VanDerWaalsContact CZ-CB 3.4Å; F335-H344 AromaticContact CZ-CD2 3.31Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.21Å; F335-H344 AromaticContact CZ-CG 3.23Å; F335-H344 AromaticContact CZ-ND1 3.91Å; F335-H344 AromaticContact CZ-NE2 3.94Å; S340-H344 WeakPolarHBondContact O-CB 3.06Å; S340-H344 PolarHBondContact O-N 3.48Å; L341-H344 CarbonylContact O-C 3.59Å; L341-H344 WeakPolarHBondContact O-CA 3.45Å; L341-H344 WeakPolarHBondContact O-CB 3.43Å; L341-H344 PolarHBondContact O-N 3.41Å; N342-H344 VanDerWaalsContact C-N 3.32Å; H344-K346 PolarHBondContact O-N 3.07Å; H344-A347 WeakPolarHBondContact O-CA 3.43Å; H344-A347 WeakPolarHBondContact O-CB 3.32Å; H344-A347 PolarHBondContact O-N 3.37Å; H344-H348 AromaticContact CE1-CD2 3.85Å; H344-H348 AromaticContact CE1-NE2 3.29Å; H344-H348 PolarHBondContact CE1-NE2 3.4Å; H344-H348 VanDerWaalsContact CE1-NE2 3.29Å; H344-H348 AromaticContact NE2-CD2 3.75Å; H344-H348 AromaticContact NE2-NE2 3.19Å; H344-H348 PolarHBondContact NE2-NE2 2.85Å; H344-H348 VanDerWaalsContact NE2-NE2 3.19Å |
| 345 | Q | 86.1 | Confident | 82.9 | Confident | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -32.8 | 176 | -74.2 | 172.7 | -42.7 | 0 | 0 | 112.6 | L341 A347 H348 A349 | L341-Q345 HydrophobicContact CD1-CG 4.05Å; L341-Q345 HydrophobicContact CG-CG 4.36Å; L341-Q345 WeakPolarHBondContact O-CG 3.26Å; L341-Q345 PolarHBondContact O-N 2.97Å; Q345-A347 PolarHBondContact O-N 2.83Å; Q345-H348 WeakPolarHBondContact O-CB 3.29Å; Q345-H348 PolarHBondContact O-N 2.94Å; Q345-A349 PolarHBondContact O-N 3.43Å |
| 346 | K | 83.6 | Confident | 83 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.5 | -27 | 171.9 | -70.8 | 176.8 | -178.2 | -172.5 | 0 | 113.4 | N342 R343 H344 H348 F364 | N342-K346 WeakPolarHBondContact O-CG 3.33Å; N342-K346 PolarHBondContact O-N 2.99Å; R343-K346 PolarHBondContact O-N 3.48Å; H344-K346 PolarHBondContact O-N 3.07Å; K346-H348 VanDerWaalsContact C-N 3.32Å; K346-F364 VanDerWaalsContact O-CD1 3.28Å; K346-F364 WeakPolarHBondContact O-CD1 3.36Å; K346-F364 WeakPolarHBondContact O-CE1 3.49Å |
| 347 | A | 81 | Confident | 83 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.8 | -26.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H344 Q345 F364 | H344-A347 WeakPolarHBondContact O-CA 3.43Å; H344-A347 WeakPolarHBondContact O-CB 3.32Å; H344-A347 PolarHBondContact O-N 3.37Å; Q345-A347 PolarHBondContact O-N 2.83Å; A347-F364 HydrophobicContact CB-CD1 4.45Å; A347-F364 HydrophobicContact CB-CD2 4.02Å; A347-F364 HydrophobicContact CB-CE1 4.43Å; A347-F364 HydrophobicContact CB-CE2 3.99Å; A347-F364 HydrophobicContact CB-CG 4.25Å; A347-F364 HydrophobicContact CB-CZ 4.19Å |
| 348 | H | 82.1 | Confident | 83 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -74.9 | -39.4 | 175 | -77.3 | -75.4 | 0 | 0 | 0 | 112.8 | E330 C331 H344 Q345 K346 G350 | E330-H348 WeakPolarHBondContact OE2-CB 3.45Å; E330-H348 IonicContact OE2-CG 3.25Å; E330-H348 VanDerWaalsContact OE2-CG 3.25Å; E330-H348 IonicContact OE2-ND1 3.35Å; E330-H348 PolarHBondContact OE2-ND1 3.26Å; C331-H348 PolarHBondContact SG-NE2 3.34Å; H344-H348 AromaticContact CE1-CD2 3.85Å; H344-H348 AromaticContact CE1-NE2 3.29Å; H344-H348 PolarHBondContact CE1-NE2 3.4Å; H344-H348 VanDerWaalsContact CE1-NE2 3.29Å; H344-H348 AromaticContact NE2-CD2 3.75Å; H344-H348 AromaticContact NE2-NE2 3.19Å; H344-H348 PolarHBondContact NE2-NE2 2.85Å; H344-H348 VanDerWaalsContact NE2-NE2 3.19Å; Q345-H348 WeakPolarHBondContact O-CB 3.29Å; Q345-H348 PolarHBondContact O-N 2.94Å; K346-H348 VanDerWaalsContact C-N 3.32Å; H348-G350 PolarHBondContact O-N 3.45Å |
| 349 | A | 78.2 | Confident | 83.1 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -61.4 | -8.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q345 D351 | Q345-A349 PolarHBondContact O-N 3.43Å; A349-D351 PolarHBondContact O-N 3.06Å |
| 350 | G | 69.2 | Low | 83.1 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | trans | 69.8 | -0.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H348 P352 | H348-G350 PolarHBondContact O-N 3.45Å; G350-P352 VanDerWaalsContact O-CD 3.31Å; G350-P352 WeakPolarHBondContact O-CD 3.45Å | ||
| 351 | D | 68.2 | Low | 83.1 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | trans | -108 | 93.5 | -179.5 | 179.9 | 18.8 | 0 | 0 | 0 | 111.4 | A349 R353 | A349-D351 PolarHBondContact O-N 3.06Å; D351-R353 PolarHBondContact O-N 2.93Å; D351-R353 VanDerWaalsContact O-N 3.17Å | ||
| 352 | P | 71.9 | Confident | 82.9 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 25% | 0.253 | 43% | 0.433 | S | S | . | . | trans | -79.4 | 101.8 | 177.8 | 7.5 | 11.9 | 0 | 0 | 0 | 109.2 | G350 Y354 A362 F363 F364 | G350-P352 VanDerWaalsContact O-CD 3.31Å; G350-P352 WeakPolarHBondContact O-CD 3.45Å; P352-Y354 PolarHBondContact O-N 3.31Å; P352-Y354 VanDerWaalsContact O-N 3.09Å; P352-A362 HydrophobicContact CB-CB 3.66Å; P352-A362 HydrophobicContact CG-CB 3.73Å; P352-F363 CarbonylContact C-O 3.38Å; P352-F363 WeakPolarHBondContact CB-O 3.07Å; P352-F364 HydrophobicContact CB-CD1 3.88Å; P352-F364 HydrophobicContact CB-CE1 3.8Å; P352-F364 HydrophobicContact CB-CG 4.43Å; P352-F364 HydrophobicContact CB-CZ 4.3Å; P352-F364 HydrophobicContact CG-CD1 4.47Å; P352-F364 HydrophobicContact CG-CE1 3.89Å; P352-F364 HydrophobicContact CG-CZ 4.18Å | ||
| 353 | R | 79.1 | Confident | 82.8 | Confident | 166 Ų | 166 | 79.1 Ų | 79.1 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | trans | -65.5 | -13.1 | -174.3 | -53.1 | -174.5 | -162 | -173.6 | -0.7 | 115.7 | D351 | D351-R353 PolarHBondContact O-N 2.93Å; D351-R353 VanDerWaalsContact O-N 3.17Å | ||
| 354 | Y | 83.6 | Confident | 82.8 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 95.2 | -171.5 | -59.3 | -73.9 | 0 | 0 | 0 | 110.7 | P352 A362 F363 D365 R366 | P352-Y354 PolarHBondContact O-N 3.31Å; P352-Y354 VanDerWaalsContact O-N 3.09Å; Y354-A362 CarbonylContact O-C 3.54Å; Y354-A362 WeakPolarHBondContact O-CA 3.41Å; Y354-F363 WeakPolarHBondContact CB-O 3.45Å; Y354-F363 PolarHBondContact N-O 3.5Å; Y354-F363 VanDerWaalsContact N-O 3.11Å; Y354-F363 PolarHBondContact O-N 3.16Å; Y354-D365 VanDerWaalsContact CD2-C 3.42Å; Y354-R366 HydrophobicContact CD1-CB 4.17Å; Y354-R366 HydrophobicContact CE1-CB 3.96Å; Y354-R366 HydrophobicContact CE1-CG 4.47Å; Y354-R366 HydrophobicContact CE2-CB 4.46Å |
| 355 | Q | 87.1 | Confident | 82.5 | Confident | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 141.5 | 177.7 | -162.6 | 174.2 | 21.3 | 0 | 0 | 111.9 | G360 | Q355-G360 WeakPolarHBondContact CG-O 3.43Å; Q355-G360 PolarHBondContact NE2-O 3.4Å; Q355-G360 VanDerWaalsContact NE2-O 3.08Å |
| 356 | C | 90.5 | Very high | 82.5 | Confident | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | trans | -81.9 | 116.8 | 167.8 | 179 | 0 | 0 | 0 | 0 | 109.7 | E358 C359 G360 K361 F363 L369 H376 | C356-E358 PolarHBondContact O-N 3.37Å; C356-C359 PolarHBondContact O-N 3.32Å; C356-G360 VanDerWaalsContact O-CA 3.26Å; C356-G360 WeakPolarHBondContact O-CA 3.29Å; C356-G360 PolarHBondContact O-N 3.17Å; C356-K361 WeakPolarHBondContact CB-O 3.43Å; C356-K361 PolarHBondContact N-O 3.19Å; C356-F363 HydrophobicContact CB-CE2 4.37Å; C356-L369 HydrophobicContact CB-CD1 3.64Å; C356-H376 PolarHBondContact SG-NE2 2.92Å; C356-H376 VanDerWaalsContact SG-NE2 3.4Å | ||
| 357 | N | 88.6 | Confident | 82.6 | Confident | 154 Ų | 154 | 81.9 Ų | 81.9 | 82% | 0.824 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.2 | -178.8 | -61.9 | -6.5 | 0 | 0 | 0 | 113.4 | ||
| 358 | E | 88.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -27.5 | -174.4 | -65.7 | 170.4 | -174.3 | 0 | 0 | 113.6 | C356 H376 | C356-E358 PolarHBondContact O-N 3.37Å; E358-H376 WeakPolarHBondContact OE2-CB 3.49Å; E358-H376 IonicContact OE2-CD2 3.66Å; E358-H376 PolarHBondContact OE2-CD2 3.38Å; E358-H376 IonicContact OE2-CG 3.96Å; E358-H376 IonicContact OE2-NE2 3.49Å |
| 359 | C | 89.6 | Confident | 83.3 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 37% | 0.365 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 6.3 | -177.3 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | C356 K361 H372 H376 | C356-C359 PolarHBondContact O-N 3.32Å; C359-K361 PolarHBondContact O-N 3.32Å; C359-H372 PolarHBondContact SG-NE2 3.49Å; C359-H376 PolarHBondContact SG-NE2 2.8Å; C359-H376 VanDerWaalsContact SG-NE2 3.41Å |
| 360 | G | 85.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | trans | 69.1 | -5.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q355 C356 A362 | Q355-G360 WeakPolarHBondContact CG-O 3.43Å; Q355-G360 PolarHBondContact NE2-O 3.4Å; Q355-G360 VanDerWaalsContact NE2-O 3.08Å; C356-G360 VanDerWaalsContact O-CA 3.26Å; C356-G360 WeakPolarHBondContact O-CA 3.29Å; C356-G360 PolarHBondContact O-N 3.17Å; G360-A362 PolarHBondContact O-N 2.98Å | ||
| 361 | K | 86 | Confident | 84.8 | Confident | 126 Ų | 126 | 78.8 Ų | 78.8 | 55% | 0.548 | 41% | 0.405 | S | S | . | . | trans | -64.3 | 131.5 | -179 | -72.2 | -179.1 | -178.8 | 175.7 | 0 | 111.4 | C356 C359 F363 | C356-K361 WeakPolarHBondContact CB-O 3.43Å; C356-K361 PolarHBondContact N-O 3.19Å; C359-K361 PolarHBondContact O-N 3.32Å; K361-F363 HydrophobicContact CB-CE2 3.92Å; K361-F363 HydrophobicContact CB-CZ 4.18Å; K361-F363 WeakPolarHBondContact O-CE2 2.91Å | ||
| 362 | A | 86.2 | Confident | 85.8 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P352 Y354 G360 | P352-A362 HydrophobicContact CB-CB 3.66Å; P352-A362 HydrophobicContact CG-CB 3.73Å; Y354-A362 CarbonylContact O-C 3.54Å; Y354-A362 WeakPolarHBondContact O-CA 3.41Å; G360-A362 PolarHBondContact O-N 2.98Å |
| 363 | F | 84.5 | Confident | 86.7 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.6 | -175.3 | -60.9 | -90.6 | 0 | 0 | 0 | 110.9 | P352 Y354 C356 K361 L369 H372 | P352-F363 CarbonylContact C-O 3.38Å; P352-F363 WeakPolarHBondContact CB-O 3.07Å; Y354-F363 WeakPolarHBondContact CB-O 3.45Å; Y354-F363 PolarHBondContact N-O 3.5Å; Y354-F363 VanDerWaalsContact N-O 3.11Å; Y354-F363 PolarHBondContact O-N 3.16Å; C356-F363 HydrophobicContact CB-CE2 4.37Å; K361-F363 HydrophobicContact CB-CE2 3.92Å; K361-F363 HydrophobicContact CB-CZ 4.18Å; K361-F363 WeakPolarHBondContact O-CE2 2.91Å; F363-L369 HydrophobicContact CB-CB 4.28Å; F363-L369 HydrophobicContact CD2-CB 4Å; F363-L369 HydrophobicContact CD2-CD1 3.79Å; F363-L369 HydrophobicContact CE2-CD1 4.01Å; F363-L369 HydrophobicContact CG-CB 4.27Å; F363-H372 HydrophobicContact CE1-CB 3.88Å; F363-H372 HydrophobicContact CE2-CB 3.84Å; F363-H372 AromaticContact CE2-CD2 3.45Å; F363-H372 VanDerWaalsContact CE2-CD2 3.45Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.44Å; F363-H372 AromaticContact CE2-CG 3.6Å; F363-H372 HydrophobicContact CZ-CB 3.36Å; F363-H372 AromaticContact CZ-CD2 3.53Å; F363-H372 AromaticContact CZ-CG 3.18Å; F363-H372 AromaticContact CZ-ND1 3.63Å |
| 364 | F | 82.3 | Confident | 87.2 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -84.1 | -16.2 | -179.9 | -60.5 | -71.5 | 0 | 0 | 0 | 114.1 | K346 A347 P352 | K346-F364 VanDerWaalsContact O-CD1 3.28Å; K346-F364 WeakPolarHBondContact O-CD1 3.36Å; K346-F364 WeakPolarHBondContact O-CE1 3.49Å; A347-F364 HydrophobicContact CB-CD1 4.45Å; A347-F364 HydrophobicContact CB-CD2 4.02Å; A347-F364 HydrophobicContact CB-CE1 4.43Å; A347-F364 HydrophobicContact CB-CE2 3.99Å; A347-F364 HydrophobicContact CB-CG 4.25Å; A347-F364 HydrophobicContact CB-CZ 4.19Å; P352-F364 HydrophobicContact CB-CD1 3.88Å; P352-F364 HydrophobicContact CB-CE1 3.8Å; P352-F364 HydrophobicContact CB-CG 4.43Å; P352-F364 HydrophobicContact CB-CZ 4.3Å; P352-F364 HydrophobicContact CG-CD1 4.47Å; P352-F364 HydrophobicContact CG-CE1 3.89Å; P352-F364 HydrophobicContact CG-CZ 4.18Å |
| 365 | D | 81 | Confident | 87.4 | Confident | 28 Ų | 28 | 72 Ų | 72 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -137.5 | 151.6 | 173.6 | 72.9 | 14.6 | 0 | 0 | 0 | 113 | R343 Y354 S367 S368 L369 | R343-D365 WeakPolarHBondContact CD-OD2 3.4Å; R343-D365 IonicContact NH1-OD2 3.41Å; R343-D365 PolarHBondContact NH1-OD2 2.95Å; Y354-D365 VanDerWaalsContact CD2-C 3.42Å; D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; D365-S368 PolarHBondContact O-N 3.05Å; D365-S368 WeakPolarHBondContact OD1-CA 3.24Å; D365-S368 WeakPolarHBondContact OD1-CB 3.27Å; D365-S368 PolarHBondContact OD1-N 3.49Å; D365-S368 PolarHBondContact OD1-OG 2.89Å; D365-L369 PolarHBondContact O-N 3.48Å |
| 366 | R | 85.7 | Confident | 87.5 | Confident | 176 Ų | 176 | 69.9 Ų | 69.9 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -33.9 | -179.6 | -170.6 | 175 | -179 | 163.2 | 2.6 | 112 | Y354 L369 T370 | Y354-R366 HydrophobicContact CD1-CB 4.17Å; Y354-R366 HydrophobicContact CE1-CB 3.96Å; Y354-R366 HydrophobicContact CE1-CG 4.47Å; Y354-R366 HydrophobicContact CE2-CB 4.46Å; R366-L369 PolarHBondContact O-N 3.37Å; R366-T370 PolarHBondContact O-N 2.95Å; R366-T370 PolarHBondContact O-OG1 3.38Å; R366-T370 VanDerWaalsContact O-OG1 3.07Å |
| 367 | S | 86.3 | Confident | 87.4 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | D365 T370 Q371 | D365-S367 VanDerWaalsContact C-N 3.26Å; D365-S367 PolarHBondContact O-N 2.98Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-Q371 VanDerWaalsContact O-CB 3.32Å; S367-Q371 WeakPolarHBondContact O-CB 3.04Å; S367-Q371 PolarHBondContact O-N 3.02Å |
| 368 | S | 87.4 | Confident | 87.2 | Confident | 54 Ų | 54 | 69 Ų | 69 | 38% | 0.378 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | D365 Q371 H372 | D365-S368 PolarHBondContact O-N 3.05Å; D365-S368 WeakPolarHBondContact OD1-CA 3.24Å; D365-S368 WeakPolarHBondContact OD1-CB 3.27Å; D365-S368 PolarHBondContact OD1-N 3.49Å; D365-S368 PolarHBondContact OD1-OG 2.89Å; S368-Q371 PolarHBondContact O-N 3.39Å; S368-H372 VanDerWaalsContact O-CB 3.27Å; S368-H372 WeakPolarHBondContact O-CB 3.48Å; S368-H372 PolarHBondContact O-N 3.39Å |
| 369 | L | 90.3 | Very high | 87.2 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 173.1 | 174 | 61.7 | 0 | 0 | 0 | 111.3 | C356 F363 D365 R366 Q371 H372 Q373 | C356-L369 HydrophobicContact CB-CD1 3.64Å; F363-L369 HydrophobicContact CB-CB 4.28Å; F363-L369 HydrophobicContact CD2-CB 4Å; F363-L369 HydrophobicContact CD2-CD1 3.79Å; F363-L369 HydrophobicContact CE2-CD1 4.01Å; F363-L369 HydrophobicContact CG-CB 4.27Å; D365-L369 PolarHBondContact O-N 3.48Å; R366-L369 PolarHBondContact O-N 3.37Å; L369-Q371 VanDerWaalsContact C-N 3.28Å; L369-Q371 PolarHBondContact O-N 2.85Å; L369-H372 CarbonylContact O-C 3.55Å; L369-H372 WeakPolarHBondContact O-CA 3.24Å; L369-H372 WeakPolarHBondContact O-CB 3.2Å; L369-H372 PolarHBondContact O-N 3.31Å; L369-Q373 HydrophobicContact CD1-CG 4.14Å; L369-Q373 HydrophobicContact CG-CG 4.44Å; L369-Q373 WeakPolarHBondContact O-CG 3.37Å; L369-Q373 PolarHBondContact O-N 3.44Å |
| 370 | T | 89.4 | Confident | 87.2 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | R366 S367 H372 Q373 | R366-T370 PolarHBondContact O-N 2.95Å; R366-T370 PolarHBondContact O-OG1 3.38Å; R366-T370 VanDerWaalsContact O-OG1 3.07Å; S367-T370 PolarHBondContact O-N 3.32Å; T370-H372 VanDerWaalsContact C-N 3.31Å; T370-H372 PolarHBondContact O-N 3.23Å; T370-Q373 PolarHBondContact O-N 2.8Å |
| 371 | Q | 88.9 | Confident | 87.5 | Confident | 51 Ų | 51 | 71 Ų | 71 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 175.7 | -179.7 | 53.7 | 62.2 | 0 | 0 | 112.5 | S367 S368 L369 Q393 | S367-Q371 VanDerWaalsContact O-CB 3.32Å; S367-Q371 WeakPolarHBondContact O-CB 3.04Å; S367-Q371 PolarHBondContact O-N 3.02Å; S368-Q371 PolarHBondContact O-N 3.39Å; L369-Q371 VanDerWaalsContact C-N 3.28Å; L369-Q371 PolarHBondContact O-N 2.85Å; Q371-Q393 HydrophobicContact CG-CG 4.49Å; Q371-Q393 VanDerWaalsContact NE2-CG 3.31Å; Q371-Q393 VanDerWaalsContact NE2-NE2 3.2Å |
| 372 | H | 89.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 69 Ų | 69 | 9% | 0.093 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 174.5 | 169.1 | 72 | 0 | 0 | 0 | 112 | C359 F363 S368 L369 T370 K374 I375 H376 | C359-H372 PolarHBondContact SG-NE2 3.49Å; F363-H372 HydrophobicContact CE1-CB 3.88Å; F363-H372 HydrophobicContact CE2-CB 3.84Å; F363-H372 AromaticContact CE2-CD2 3.45Å; F363-H372 VanDerWaalsContact CE2-CD2 3.45Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.44Å; F363-H372 AromaticContact CE2-CG 3.6Å; F363-H372 HydrophobicContact CZ-CB 3.36Å; F363-H372 AromaticContact CZ-CD2 3.53Å; F363-H372 AromaticContact CZ-CG 3.18Å; F363-H372 AromaticContact CZ-ND1 3.63Å; S368-H372 VanDerWaalsContact O-CB 3.27Å; S368-H372 WeakPolarHBondContact O-CB 3.48Å; S368-H372 PolarHBondContact O-N 3.39Å; L369-H372 CarbonylContact O-C 3.55Å; L369-H372 WeakPolarHBondContact O-CA 3.24Å; L369-H372 WeakPolarHBondContact O-CB 3.2Å; L369-H372 PolarHBondContact O-N 3.31Å; T370-H372 VanDerWaalsContact C-N 3.31Å; T370-H372 PolarHBondContact O-N 3.23Å; H372-K374 PolarHBondContact O-N 3.14Å; H372-K374 VanDerWaalsContact O-N 3.12Å; H372-I375 WeakPolarHBondContact O-CB 3.18Å; H372-I375 VanDerWaalsContact O-CG1 3.29Å; H372-I375 WeakPolarHBondContact O-CG1 3.28Å; H372-I375 PolarHBondContact O-N 2.87Å; H372-H376 AromaticContact CD2-NE2 3.94Å; H372-H376 AromaticContact CE1-NE2 3.71Å; H372-H376 AromaticContact NE2-CD2 3.98Å; H372-H376 AromaticContact NE2-CE1 3.94Å; H372-H376 AromaticContact NE2-NE2 3.13Å; H372-H376 PolarHBondContact NE2-NE2 3.45Å; H372-H376 VanDerWaalsContact NE2-NE2 3.13Å |
| 373 | Q | 89.9 | Confident | 88.1 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.5 | -29.9 | 178.2 | -75.1 | 173 | -46.8 | 0 | 0 | 112.9 | L369 T370 I375 H376 T377 | L369-Q373 HydrophobicContact CD1-CG 4.14Å; L369-Q373 HydrophobicContact CG-CG 4.44Å; L369-Q373 WeakPolarHBondContact O-CG 3.37Å; L369-Q373 PolarHBondContact O-N 3.44Å; T370-Q373 PolarHBondContact O-N 2.8Å; Q373-I375 PolarHBondContact O-N 2.88Å; Q373-I375 VanDerWaalsContact O-N 3.08Å; Q373-H376 PolarHBondContact O-N 3.13Å; Q373-T377 PolarHBondContact O-N 3.21Å; Q373-T377 VanDerWaalsContact O-N 3.09Å |
| 374 | K | 91 | Very high | 88.6 | Confident | 43 Ų | 43 | 71 Ų | 71 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.9 | -19.5 | 173 | -64.9 | -175.8 | 176.6 | -177.7 | 0 | 114.5 | H372 T377 G378 D379 | H372-K374 PolarHBondContact O-N 3.14Å; H372-K374 VanDerWaalsContact O-N 3.12Å; K374-T377 WeakPolarHBondContact CA-OG1 3.46Å; K374-G378 PolarHBondContact O-N 3.42Å; K374-D379 HydrophobicContact CG-CB 4.39Å; K374-D379 PolarHBondContact O-N 3.16Å |
| 375 | I | 88.2 | Confident | 89 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 59% | 0.585 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.5 | -39.5 | 175.7 | -61.2 | 172.8 | 0 | 0 | 0 | 109.8 | H372 Q373 | H372-I375 WeakPolarHBondContact O-CB 3.18Å; H372-I375 VanDerWaalsContact O-CG1 3.29Å; H372-I375 WeakPolarHBondContact O-CG1 3.28Å; H372-I375 PolarHBondContact O-N 2.87Å; Q373-I375 PolarHBondContact O-N 2.88Å; Q373-I375 VanDerWaalsContact O-N 3.08Å |
| 376 | H | 88 | Confident | 89.4 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -82.3 | -40.8 | -177.6 | -54.2 | -53.2 | 0 | 0 | 0 | 112.1 | C356 E358 C359 H372 Q373 G378 | C356-H376 PolarHBondContact SG-NE2 2.92Å; C356-H376 VanDerWaalsContact SG-NE2 3.4Å; E358-H376 WeakPolarHBondContact OE2-CB 3.49Å; E358-H376 IonicContact OE2-CD2 3.66Å; E358-H376 PolarHBondContact OE2-CD2 3.38Å; E358-H376 IonicContact OE2-CG 3.96Å; E358-H376 IonicContact OE2-NE2 3.49Å; C359-H376 PolarHBondContact SG-NE2 2.8Å; C359-H376 VanDerWaalsContact SG-NE2 3.41Å; H372-H376 AromaticContact CD2-NE2 3.94Å; H372-H376 AromaticContact CE1-NE2 3.71Å; H372-H376 AromaticContact NE2-CD2 3.98Å; H372-H376 AromaticContact NE2-CE1 3.94Å; H372-H376 AromaticContact NE2-NE2 3.13Å; H372-H376 PolarHBondContact NE2-NE2 3.45Å; H372-H376 VanDerWaalsContact NE2-NE2 3.13Å; Q373-H376 PolarHBondContact O-N 3.13Å; H376-G378 PolarHBondContact O-N 2.98Å |
| 377 | T | 87.9 | Confident | 89.8 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71.2 | -12.5 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 113 | Q373 K374 D379 | Q373-T377 PolarHBondContact O-N 3.21Å; Q373-T377 VanDerWaalsContact O-N 3.09Å; K374-T377 WeakPolarHBondContact CA-OG1 3.46Å; T377-D379 PolarHBondContact O-N 3.4Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.99Å |
| 378 | G | 86.1 | Confident | 89.9 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | trans | 66.4 | 8.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | K374 H376 K380 | K374-G378 PolarHBondContact O-N 3.42Å; H376-G378 PolarHBondContact O-N 2.98Å; G378-K380 WeakPolarHBondContact O-CG 3.38Å; G378-K380 PolarHBondContact O-N 3.25Å; G378-K380 VanDerWaalsContact O-N 3.12Å | ||
| 379 | D | 88.3 | Confident | 90.1 | Very high | 73 Ų | 73 | 72.2 Ų | 72.2 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | trans | -61.6 | 113.1 | -176.7 | 178.9 | 30.9 | 0 | 0 | 0 | 111 | K374 T377 P381 | K374-D379 HydrophobicContact CG-CB 4.39Å; K374-D379 PolarHBondContact O-N 3.16Å; T377-D379 PolarHBondContact O-N 3.4Å; T377-D379 VanDerWaalsContact O-N 3.14Å; T377-D379 WeakPolarHBondContact OG1-CB 3.34Å; T377-D379 PolarHBondContact OG1-N 2.99Å; D379-P381 WeakPolarHBondContact OD1-CD 3.43Å; D379-P381 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 380 | K | 89.9 | Confident | 90.2 | Very high | 121 Ų | 121 | 73.1 Ų | 73.1 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | trans | -126.1 | 74.8 | -179.1 | -70.7 | 166.6 | 178.8 | 178 | 0 | 110.1 | G378 Y382 A390 F391 | G378-K380 WeakPolarHBondContact O-CG 3.38Å; G378-K380 PolarHBondContact O-N 3.25Å; G378-K380 VanDerWaalsContact O-N 3.12Å; K380-Y382 PolarHBondContact O-N 3.38Å; K380-A390 HydrophobicContact CB-CB 3.63Å; K380-A390 HydrophobicContact CD-CB 4.2Å; K380-A390 WeakPolarHBondContact CD-O 3.34Å; K380-F391 CarbonylContact C-O 3.57Å; K380-F391 WeakPolarHBondContact CA-O 3.2Å | ||
| 381 | P | 90.8 | Very high | 90.2 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -67.2 | -11.4 | -174.5 | -19 | 30.8 | 0 | 0 | 0 | 114.8 | D379 | D379-P381 WeakPolarHBondContact OD1-CD 3.43Å; D379-P381 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 382 | Y | 92.6 | Very high | 90.2 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 96.1 | -170.4 | -55.1 | -73 | 0 | 0 | 0 | 110.4 | K380 A390 F391 Q393 R394 | K380-Y382 PolarHBondContact O-N 3.38Å; Y382-A390 CarbonylContact O-C 3.26Å; Y382-A390 WeakPolarHBondContact O-CA 3.26Å; Y382-F391 WeakPolarHBondContact CB-O 3.44Å; Y382-F391 WeakPolarHBondContact CD2-O 3.46Å; Y382-F391 PolarHBondContact N-O 3.41Å; Y382-F391 PolarHBondContact O-N 3.01Å; Y382-Q393 VanDerWaalsContact CD2-C 3.43Å; Y382-R394 HydrophobicContact CD1-CB 3.97Å; Y382-R394 HydrophobicContact CD1-CG 4.34Å; Y382-R394 HydrophobicContact CD2-CB 4.48Å; Y382-R394 VanDerWaalsContact CD2-N 3.33Å; Y382-R394 HydrophobicContact CE1-CB 3.81Å; Y382-R394 HydrophobicContact CE1-CG 4.35Å; Y382-R394 HydrophobicContact CE2-CB 4.32Å; Y382-R394 HydrophobicContact CG-CB 4.3Å |
| 383 | E | 92.8 | Very high | 90.2 | Very high | 130 Ų | 130 | 71.9 Ų | 71.9 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.1 | 180 | -166 | 175.6 | 164.4 | 0 | 0 | 112.5 | L397 | E383-L397 WeakPolarHBondContact O-CD2 3.43Å |
| 384 | C | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | trans | -81.5 | 118.8 | 170.8 | -171.9 | 0 | 0 | 0 | 0 | 110 | E386 G388 K389 L397 | C384-E386 PolarHBondContact O-N 3.34Å; C384-G388 VanDerWaalsContact O-CA 3.28Å; C384-G388 WeakPolarHBondContact O-CA 3.4Å; C384-G388 PolarHBondContact O-N 2.9Å; C384-K389 WeakPolarHBondContact CB-O 3.42Å; C384-K389 PolarHBondContact N-O 3.21Å; C384-L397 HydrophobicContact CB-CD1 3.67Å | ||
| 385 | S | 91.5 | Very high | 90 | Very high | 112 Ų | 112 | 78.5 Ų | 78.5 | 78% | 0.783 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.3 | 179.1 | 50.5 | 0 | 0 | 0 | 0 | 114 | ||
| 386 | E | 90.1 | Very high | 90 | Very high | 120 Ų | 120 | 78.3 Ų | 78.3 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -29.3 | -175.3 | -64.4 | -176.6 | -157 | 0 | 0 | 113.9 | C384 H404 | C384-E386 PolarHBondContact O-N 3.34Å; E386-H404 WeakPolarHBondContact OE2-CB 3.39Å; E386-H404 IonicContact OE2-CD2 3.62Å; E386-H404 IonicContact OE2-CG 3.04Å; E386-H404 IonicContact OE2-ND1 3.46Å; E386-H404 PolarHBondContact OE2-ND1 2.95Å |
| 387 | C | 92.2 | Very high | 90.2 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 7.4 | -176.8 | 69.2 | 0 | 0 | 0 | 0 | 115 | K389 H400 H404 | C387-K389 PolarHBondContact O-N 3.14Å; C387-H400 PolarHBondContact SG-NE2 3.13Å; C387-H404 PolarHBondContact SG-NE2 3.42Å |
| 388 | G | 89.4 | Confident | 90.3 | Very high | 40 Ų | 40 | 74 Ų | 74 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | trans | 67.2 | 3.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | C384 A390 | C384-G388 VanDerWaalsContact O-CA 3.28Å; C384-G388 WeakPolarHBondContact O-CA 3.4Å; C384-G388 PolarHBondContact O-N 2.9Å; G388-A390 PolarHBondContact O-N 3.15Å | ||
| 389 | K | 91.1 | Very high | 90.4 | Very high | 124 Ų | 124 | 77.4 Ų | 77.4 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | trans | -70.2 | 121.5 | -179.5 | -74.2 | -179.8 | -179.3 | 172 | 0 | 110.5 | C384 C387 F391 | C384-K389 WeakPolarHBondContact CB-O 3.42Å; C384-K389 PolarHBondContact N-O 3.21Å; C387-K389 PolarHBondContact O-N 3.14Å; K389-F391 HydrophobicContact CB-CE2 3.92Å; K389-F391 HydrophobicContact CB-CZ 4.12Å; K389-F391 WeakPolarHBondContact O-CD2 3.37Å; K389-F391 VanDerWaalsContact O-CE2 3.26Å; K389-F391 WeakPolarHBondContact O-CE2 3.49Å | ||
| 390 | A | 92.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 75.1 Ų | 75.1 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K380 Y382 G388 | K380-A390 HydrophobicContact CB-CB 3.63Å; K380-A390 HydrophobicContact CD-CB 4.2Å; K380-A390 WeakPolarHBondContact CD-O 3.34Å; Y382-A390 CarbonylContact O-C 3.26Å; Y382-A390 WeakPolarHBondContact O-CA 3.26Å; G388-A390 PolarHBondContact O-N 3.15Å |
| 391 | F | 90.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 148.1 | -177.7 | -59.7 | -90 | 0 | 0 | 0 | 111.1 | K380 Y382 K389 Q393 R396 L397 H400 | K380-F391 CarbonylContact C-O 3.57Å; K380-F391 WeakPolarHBondContact CA-O 3.2Å; Y382-F391 WeakPolarHBondContact CB-O 3.44Å; Y382-F391 WeakPolarHBondContact CD2-O 3.46Å; Y382-F391 PolarHBondContact N-O 3.41Å; Y382-F391 PolarHBondContact O-N 3.01Å; K389-F391 HydrophobicContact CB-CE2 3.92Å; K389-F391 HydrophobicContact CB-CZ 4.12Å; K389-F391 WeakPolarHBondContact O-CD2 3.37Å; K389-F391 VanDerWaalsContact O-CE2 3.26Å; K389-F391 WeakPolarHBondContact O-CE2 3.49Å; F391-Q393 VanDerWaalsContact C-N 3.28Å; F391-Q393 PolarHBondContact O-N 3.16Å; F391-R396 HydrophobicContact CB-CB 4.19Å; F391-R396 HydrophobicContact CD1-CB 3.86Å; F391-R396 HydrophobicContact CG-CB 4.24Å; F391-L397 HydrophobicContact CB-CB 4.41Å; F391-L397 HydrophobicContact CD2-CB 3.94Å; F391-L397 HydrophobicContact CD2-CD1 3.87Å; F391-L397 HydrophobicContact CE2-CD1 4.05Å; F391-L397 HydrophobicContact CG-CB 4.38Å; F391-H400 HydrophobicContact CE1-CB 4.09Å; F391-H400 HydrophobicContact CE2-CB 3.82Å; F391-H400 AromaticContact CE2-CD2 3.34Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.07Å; F391-H400 AromaticContact CE2-CG 3.61Å; F391-H400 HydrophobicContact CZ-CB 3.44Å; F391-H400 VanDerWaalsContact CZ-CB 3.44Å; F391-H400 AromaticContact CZ-CD2 3.46Å; F391-H400 VanDerWaalsContact CZ-CD2 3.46Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.38Å; F391-H400 AromaticContact CZ-CG 3.26Å; F391-H400 AromaticContact CZ-ND1 3.84Å |
| 392 | S | 89 | Confident | 90.5 | Very high | 16 Ų | 16 | 72 Ų | 72 | 11% | 0.112 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -79.3 | -8.9 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 393 | Q | 89.1 | Confident | 90.3 | Very high | 51 Ų | 51 | 73 Ų | 73 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -140.6 | 134.6 | -177.8 | -63.4 | 177.4 | 7.8 | 0 | 0 | 111.2 | Q371 Y382 F391 C395 R396 L397 | Q371-Q393 HydrophobicContact CG-CG 4.49Å; Q371-Q393 VanDerWaalsContact NE2-CG 3.31Å; Q371-Q393 VanDerWaalsContact NE2-NE2 3.2Å; Y382-Q393 VanDerWaalsContact CD2-C 3.43Å; F391-Q393 VanDerWaalsContact C-N 3.28Å; F391-Q393 PolarHBondContact O-N 3.16Å; Q393-C395 VanDerWaalsContact C-N 3.32Å; Q393-C395 PolarHBondContact O-N 3.38Å; Q393-R396 HydrophobicContact CB-CB 4.45Å; Q393-R396 HydrophobicContact CB-CG 4.06Å; Q393-R396 WeakPolarHBondContact O-CB 3.49Å; Q393-R396 PolarHBondContact O-N 3.15Å; Q393-L397 PolarHBondContact O-N 3.1Å |
| 394 | R | 89.6 | Confident | 90.1 | Very high | 168 Ų | 168 | 70.4 Ų | 70.4 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.7 | -40.3 | 178.4 | -171.4 | 174.9 | -179.8 | 166.6 | 1.6 | 113.3 | Y382 R396 L397 T398 | Y382-R394 HydrophobicContact CD1-CB 3.97Å; Y382-R394 HydrophobicContact CD1-CG 4.34Å; Y382-R394 HydrophobicContact CD2-CB 4.48Å; Y382-R394 VanDerWaalsContact CD2-N 3.33Å; Y382-R394 HydrophobicContact CE1-CB 3.81Å; Y382-R394 HydrophobicContact CE1-CG 4.35Å; Y382-R394 HydrophobicContact CE2-CB 4.32Å; Y382-R394 HydrophobicContact CG-CB 4.3Å; R394-R396 PolarHBondContact O-N 3.32Å; R394-L397 WeakPolarHBondContact O-CB 3.43Å; R394-L397 PolarHBondContact O-N 3.33Å; R394-L397 VanDerWaalsContact O-N 3.15Å; R394-T398 PolarHBondContact O-N 2.96Å; R394-T398 PolarHBondContact O-OG1 2.96Å |
| 395 | C | 87 | Confident | 89.8 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.1 | -29.5 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | Q393 R399 | Q393-C395 VanDerWaalsContact C-N 3.32Å; Q393-C395 PolarHBondContact O-N 3.38Å; C395-R399 WeakPolarHBondContact O-CB 3.43Å; C395-R399 PolarHBondContact O-N 3.21Å |
| 396 | R | 89 | Confident | 89.5 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 42% | 0.419 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.9 | -41.1 | 175.1 | -65.4 | -176.9 | -178.9 | -164.6 | -2.4 | 110.7 | F391 Q393 R394 R399 H400 | F391-R396 HydrophobicContact CB-CB 4.19Å; F391-R396 HydrophobicContact CD1-CB 3.86Å; F391-R396 HydrophobicContact CG-CB 4.24Å; Q393-R396 HydrophobicContact CB-CB 4.45Å; Q393-R396 HydrophobicContact CB-CG 4.06Å; Q393-R396 WeakPolarHBondContact O-CB 3.49Å; Q393-R396 PolarHBondContact O-N 3.15Å; R394-R396 PolarHBondContact O-N 3.32Å; R396-R399 PolarHBondContact O-N 3.39Å; R396-H400 VanDerWaalsContact O-CB 3.3Å; R396-H400 WeakPolarHBondContact O-CB 3.49Å; R396-H400 PolarHBondContact O-N 3.11Å |
| 397 | L | 91.8 | Very high | 89.4 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 171.7 | 174 | 62.2 | 0 | 0 | 0 | 111.1 | E383 C384 F391 Q393 R394 R399 H400 Q401 | E383-L397 WeakPolarHBondContact O-CD2 3.43Å; C384-L397 HydrophobicContact CB-CD1 3.67Å; F391-L397 HydrophobicContact CB-CB 4.41Å; F391-L397 HydrophobicContact CD2-CB 3.94Å; F391-L397 HydrophobicContact CD2-CD1 3.87Å; F391-L397 HydrophobicContact CE2-CD1 4.05Å; F391-L397 HydrophobicContact CG-CB 4.38Å; Q393-L397 PolarHBondContact O-N 3.1Å; R394-L397 WeakPolarHBondContact O-CB 3.43Å; R394-L397 PolarHBondContact O-N 3.33Å; R394-L397 VanDerWaalsContact O-N 3.15Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.97Å; L397-H400 CarbonylContact O-C 3.53Å; L397-H400 WeakPolarHBondContact O-CA 3.35Å; L397-H400 WeakPolarHBondContact O-CB 3.4Å; L397-H400 PolarHBondContact O-N 3.43Å; L397-Q401 HydrophobicContact CD1-CG 4.17Å; L397-Q401 HydrophobicContact CG-CG 4.46Å; L397-Q401 WeakPolarHBondContact O-CG 3.35Å; L397-Q401 PolarHBondContact O-N 2.88Å |
| 398 | T | 89.3 | Confident | 89.1 | Confident | 61 Ų | 61 | 74 Ų | 74 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | R394 H400 | R394-T398 PolarHBondContact O-N 2.96Å; R394-T398 PolarHBondContact O-OG1 2.96Å; T398-H400 VanDerWaalsContact C-N 3.34Å |
| 399 | R | 88.8 | Confident | 89 | Confident | 114 Ų | 114 | 75.6 Ų | 75.6 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 174.1 | -178.3 | 177.5 | 62.6 | -171.9 | 0.9 | 112 | C395 R396 L397 R402 | C395-R399 WeakPolarHBondContact O-CB 3.43Å; C395-R399 PolarHBondContact O-N 3.21Å; R396-R399 PolarHBondContact O-N 3.39Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 2.97Å; R399-R402 WeakPolarHBondContact O-CB 3.4Å; R399-R402 PolarHBondContact O-N 2.89Å |
| 400 | H | 90.3 | Very high | 88.9 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 12% | 0.116 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 177.9 | 169.8 | 64.2 | 0 | 0 | 0 | 112.3 | C387 F391 R396 L397 T398 R402 V403 H404 | C387-H400 PolarHBondContact SG-NE2 3.13Å; F391-H400 HydrophobicContact CE1-CB 4.09Å; F391-H400 HydrophobicContact CE2-CB 3.82Å; F391-H400 AromaticContact CE2-CD2 3.34Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.07Å; F391-H400 AromaticContact CE2-CG 3.61Å; F391-H400 HydrophobicContact CZ-CB 3.44Å; F391-H400 VanDerWaalsContact CZ-CB 3.44Å; F391-H400 AromaticContact CZ-CD2 3.46Å; F391-H400 VanDerWaalsContact CZ-CD2 3.46Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.38Å; F391-H400 AromaticContact CZ-CG 3.26Å; F391-H400 AromaticContact CZ-ND1 3.84Å; R396-H400 VanDerWaalsContact O-CB 3.3Å; R396-H400 WeakPolarHBondContact O-CB 3.49Å; R396-H400 PolarHBondContact O-N 3.11Å; L397-H400 CarbonylContact O-C 3.53Å; L397-H400 WeakPolarHBondContact O-CA 3.35Å; L397-H400 WeakPolarHBondContact O-CB 3.4Å; L397-H400 PolarHBondContact O-N 3.43Å; T398-H400 VanDerWaalsContact C-N 3.34Å; H400-R402 PolarHBondContact O-N 2.87Å; H400-R402 VanDerWaalsContact O-N 3.12Å; H400-V403 WeakPolarHBondContact O-CB 3.38Å; H400-V403 WeakPolarHBondContact O-CG2 3.48Å; H400-V403 PolarHBondContact O-N 3.04Å; H400-H404 AromaticContact CE1-NE2 3.71Å; H400-H404 AromaticContact NE2-NE2 3.37Å; H400-H404 PolarHBondContact NE2-NE2 3.14Å |
| 401 | Q | 89.6 | Confident | 88.7 | Confident | 68 Ų | 68 | 77 Ų | 77 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.7 | -30.6 | 176.1 | -74 | 173 | -45 | 0 | 0 | 112.6 | L397 V403 H404 T405 | L397-Q401 HydrophobicContact CD1-CG 4.17Å; L397-Q401 HydrophobicContact CG-CG 4.46Å; L397-Q401 WeakPolarHBondContact O-CG 3.35Å; L397-Q401 PolarHBondContact O-N 2.88Å; Q401-V403 PolarHBondContact O-N 3.27Å; Q401-H404 WeakPolarHBondContact O-CB 3.31Å; Q401-H404 PolarHBondContact O-N 3.37Å; Q401-T405 PolarHBondContact O-N 3.48Å |
| 402 | R | 90.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 75 Ų | 75 | 22% | 0.219 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -19.3 | 173.8 | -61.7 | -177.4 | -176.1 | 151.7 | 0.5 | 114.8 | R399 H400 H404 T405 G406 E407 S420 | R399-R402 WeakPolarHBondContact O-CB 3.4Å; R399-R402 PolarHBondContact O-N 2.89Å; H400-R402 PolarHBondContact O-N 2.87Å; H400-R402 VanDerWaalsContact O-N 3.12Å; R402-H404 VanDerWaalsContact C-N 3.26Å; R402-T405 WeakPolarHBondContact CA-OG1 3.42Å; R402-G406 WeakPolarHBondContact O-CA 3.43Å; R402-G406 PolarHBondContact O-N 3.36Å; R402-E407 HydrophobicContact CB-CB 4.38Å; R402-E407 HydrophobicContact CG-CB 4.22Å; R402-E407 PolarHBondContact O-N 3.27Å; R402-S420 PolarHBondContact NH1-O 3.31Å |
| 403 | V | 88.1 | Confident | 88.6 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.2 | -34.1 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | H400 Q401 | H400-V403 WeakPolarHBondContact O-CB 3.38Å; H400-V403 WeakPolarHBondContact O-CG2 3.48Å; H400-V403 PolarHBondContact O-N 3.04Å; Q401-V403 PolarHBondContact O-N 3.27Å |
| 404 | H | 88.9 | Confident | 88.3 | Confident | 74 Ų | 74 | 82.3 Ų | 82.3 | 34% | 0.343 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -80.6 | -45.2 | 178.8 | -61.6 | -69.7 | 0 | 0 | 0 | 112.3 | E386 C387 H400 Q401 R402 G406 | E386-H404 WeakPolarHBondContact OE2-CB 3.39Å; E386-H404 IonicContact OE2-CD2 3.62Å; E386-H404 IonicContact OE2-CG 3.04Å; E386-H404 IonicContact OE2-ND1 3.46Å; E386-H404 PolarHBondContact OE2-ND1 2.95Å; C387-H404 PolarHBondContact SG-NE2 3.42Å; H400-H404 AromaticContact CE1-NE2 3.71Å; H400-H404 AromaticContact NE2-NE2 3.37Å; H400-H404 PolarHBondContact NE2-NE2 3.14Å; Q401-H404 WeakPolarHBondContact O-CB 3.31Å; Q401-H404 PolarHBondContact O-N 3.37Å; R402-H404 VanDerWaalsContact C-N 3.26Å; H404-G406 PolarHBondContact O-N 3.42Å |
| 405 | T | 87.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -76.1 | -13.8 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | Q401 R402 E407 | Q401-T405 PolarHBondContact O-N 3.48Å; R402-T405 WeakPolarHBondContact CA-OG1 3.42Å; T405-E407 PolarHBondContact O-N 2.82Å; T405-E407 WeakPolarHBondContact OG1-CG 3.42Å; T405-E407 PolarHBondContact OG1-N 3.08Å |
| 406 | G | 85.1 | Confident | 88.1 | Confident | 48 Ų | 48 | 74 Ų | 74 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | trans | 70.2 | 4.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R402 H404 K408 | R402-G406 WeakPolarHBondContact O-CA 3.43Å; R402-G406 PolarHBondContact O-N 3.36Å; H404-G406 PolarHBondContact O-N 3.42Å; G406-K408 PolarHBondContact O-N 3.22Å | ||
| 407 | E | 88.3 | Confident | 88 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | trans | -59.7 | 125.4 | -178.7 | -77.3 | -178.7 | -175.7 | 0 | 0 | 112 | R402 T405 P409 | R402-E407 HydrophobicContact CB-CB 4.38Å; R402-E407 HydrophobicContact CG-CB 4.22Å; R402-E407 PolarHBondContact O-N 3.27Å; T405-E407 PolarHBondContact O-N 2.82Å; T405-E407 WeakPolarHBondContact OG1-CG 3.42Å; T405-E407 PolarHBondContact OG1-N 3.08Å; E407-P409 WeakPolarHBondContact O-CD 3.41Å | ||
| 408 | K | 87.1 | Confident | 87.9 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 53% | 0.53 | 42% | 0.419 | S | S | . | . | trans | -124.6 | 75.5 | 176 | -67.8 | 176.4 | -172.9 | 174 | 0 | 110.9 | G406 F410 V418 F419 | G406-K408 PolarHBondContact O-N 3.22Å; K408-F410 PolarHBondContact O-N 3.36Å; K408-F410 VanDerWaalsContact O-N 3.12Å; K408-V418 HydrophobicContact CB-CB 3.89Å; K408-V418 HydrophobicContact CB-CG2 3.94Å; K408-V418 HydrophobicContact CD-CG2 3.82Å; K408-F419 CarbonylContact C-O 3.32Å; K408-F419 VanDerWaalsContact C-O 3.32Å; K408-F419 WeakPolarHBondContact CA-O 3.41Å | ||
| 409 | P | 87.5 | Confident | 87.7 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | trans | -72.9 | -6 | -170.8 | -17.2 | 32.4 | 0 | 0 | 0 | 114.6 | E407 | E407-P409 WeakPolarHBondContact O-CD 3.41Š| ||
| 410 | F | 88.1 | Confident | 87.5 | Confident | 66 Ų | 66 | 73 Ų | 73 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.6 | -173.5 | -53.1 | -76.4 | 0 | 0 | 0 | 110.9 | K408 V418 F419 K422 V425 | K408-F410 PolarHBondContact O-N 3.36Å; K408-F410 VanDerWaalsContact O-N 3.12Å; F410-V418 CarbonylContact O-C 3.52Å; F410-V418 WeakPolarHBondContact O-CA 3.31Å; F410-F419 PolarHBondContact N-O 3.01Å; F410-F419 PolarHBondContact O-N 3.41Å; F410-K422 HydrophobicContact CD1-CB 4.23Å; F410-K422 HydrophobicContact CE1-CB 4.18Å; F410-K422 HydrophobicContact CG-CB 4.48Å; F410-K422 HydrophobicContact CZ-CB 4.37Å; F410-V425 HydrophobicContact CB-CG2 3.57Å |
| 411 | E | 89.1 | Confident | 87.2 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 141.4 | 176.2 | -168.8 | 179.7 | 162.4 | 0 | 0 | 111.3 | T413 G416 V418 | E411-T413 PolarHBondContact O-N 2.87Å; E411-G416 WeakPolarHBondContact OE1-CA 3.45Å; E411-V418 HydrophobicContact CB-CG1 4.16Å; E411-V418 HydrophobicContact CG-CG1 4.08Å |
| 412 | C | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -77.8 | 114.7 | 166.6 | -178 | 0 | 0 | 0 | 0 | 109.4 | V414 C415 G416 K417 F419 V425 | C412-V414 PolarHBondContact O-N 3.28Å; C412-C415 PolarHBondContact O-N 3.04Å; C412-G416 WeakPolarHBondContact O-CA 3.05Å; C412-G416 PolarHBondContact O-N 3.27Å; C412-K417 WeakPolarHBondContact CB-O 3.13Å; C412-K417 PolarHBondContact N-O 3.39Å; C412-F419 HydrophobicContact CB-CE2 4.15Å; C412-V425 HydrophobicContact CB-CG1 4.3Å | ||
| 413 | T | 86.4 | Confident | 86.8 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 79% | 0.785 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | E411 | E411-T413 PolarHBondContact O-N 2.87Š|
| 414 | V | 84 | Confident | 86.8 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 56% | 0.564 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -36.4 | -177.5 | -177 | 0 | 0 | 0 | 0 | 112 | C412 Y432 | C412-V414 PolarHBondContact O-N 3.28Å; V414-Y432 HydrophobicContact CG1-CD1 3.85Å; V414-Y432 HydrophobicContact CG1-CE1 3.67Å |
| 415 | C | 88.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 27% | 0.27 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 5.6 | -171.2 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | C412 K417 H428 Y432 | C412-C415 PolarHBondContact O-N 3.04Å; C415-K417 PolarHBondContact O-N 3.16Å; C415-H428 PolarHBondContact SG-NE2 3.27Å; C415-Y432 HydrophobicContact CB-CE2 4.25Å |
| 416 | G | 84.6 | Confident | 86.7 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 38% | 0.381 | 40% | 0.395 | S | S | . | . | trans | 68.6 | -1.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E411 C412 V418 | E411-G416 WeakPolarHBondContact OE1-CA 3.45Å; C412-G416 WeakPolarHBondContact O-CA 3.05Å; C412-G416 PolarHBondContact O-N 3.27Å; G416-V418 PolarHBondContact O-N 3.21Å | ||
| 417 | K | 87 | Confident | 86.7 | Confident | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | trans | -67.7 | 130.6 | -179.6 | -72 | -177 | 179.8 | 178 | 0 | 110.9 | C412 C415 F419 | C412-K417 WeakPolarHBondContact CB-O 3.13Å; C412-K417 PolarHBondContact N-O 3.39Å; C415-K417 PolarHBondContact O-N 3.16Å; K417-F419 HydrophobicContact CB-CE2 3.69Å; K417-F419 HydrophobicContact CB-CZ 4.01Å; K417-F419 VanDerWaalsContact O-CD2 3.22Å; K417-F419 WeakPolarHBondContact O-CD2 3.47Å; K417-F419 WeakPolarHBondContact O-CE2 3.42Å | ||
| 418 | V | 88.8 | Confident | 86.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.8 | 180 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | K408 F410 E411 G416 | K408-V418 HydrophobicContact CB-CB 3.89Å; K408-V418 HydrophobicContact CB-CG2 3.94Å; K408-V418 HydrophobicContact CD-CG2 3.82Å; F410-V418 CarbonylContact O-C 3.52Å; F410-V418 WeakPolarHBondContact O-CA 3.31Å; E411-V418 HydrophobicContact CB-CG1 4.16Å; E411-V418 HydrophobicContact CG-CG1 4.08Å; G416-V418 PolarHBondContact O-N 3.21Å |
| 419 | F | 86.2 | Confident | 86.6 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 19% | 0.189 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 152.3 | -174.6 | -61.1 | -94.8 | 0 | 0 | 0 | 111.4 | K408 F410 C412 K417 S421 V425 H428 | K408-F419 CarbonylContact C-O 3.32Å; K408-F419 VanDerWaalsContact C-O 3.32Å; K408-F419 WeakPolarHBondContact CA-O 3.41Å; F410-F419 PolarHBondContact N-O 3.01Å; F410-F419 PolarHBondContact O-N 3.41Å; C412-F419 HydrophobicContact CB-CE2 4.15Å; K417-F419 HydrophobicContact CB-CE2 3.69Å; K417-F419 HydrophobicContact CB-CZ 4.01Å; K417-F419 VanDerWaalsContact O-CD2 3.22Å; K417-F419 WeakPolarHBondContact O-CD2 3.47Å; K417-F419 WeakPolarHBondContact O-CE2 3.42Å; F419-S421 VanDerWaalsContact C-N 3.32Å; F419-V425 HydrophobicContact CB-CG2 3.75Å; F419-V425 HydrophobicContact CD2-CB 4.42Å; F419-V425 HydrophobicContact CD2-CG2 3.63Å; F419-V425 HydrophobicContact CG-CG2 3.92Å; F419-H428 HydrophobicContact CE1-CB 3.98Å; F419-H428 HydrophobicContact CE2-CB 4.16Å; F419-H428 AromaticContact CE2-CD2 3.85Å; F419-H428 AromaticContact CE2-CG 3.95Å; F419-H428 HydrophobicContact CZ-CB 3.52Å; F419-H428 AromaticContact CZ-CD2 3.69Å; F419-H428 AromaticContact CZ-CG 3.35Å; F419-H428 AromaticContact CZ-ND1 3.83Å |
| 420 | S | 83.6 | Confident | 86.5 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -79.4 | -12.8 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | R402 | R402-S420 PolarHBondContact NH1-O 3.31Š|
| 421 | S | 84.8 | Confident | 86.4 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | trans | -143.1 | 142.7 | 179.9 | 96.8 | 0 | 0 | 0 | 0 | 113.7 | F419 S423 S424 V425 | F419-S421 VanDerWaalsContact C-N 3.32Å; S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.1Å; S421-S424 WeakPolarHBondContact O-CB 3.44Å; S421-S424 PolarHBondContact O-N 3.05Å; S421-S424 VanDerWaalsContact O-N 3.12Å; S421-S424 PolarHBondContact OG-N 3.27Å; S421-S424 PolarHBondContact OG-OG 3.07Å; S421-V425 PolarHBondContact O-N 3.34Å | ||
| 422 | K | 85.1 | Confident | 85.8 | Confident | 141 Ų | 141 | 74.6 Ų | 74.6 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -34.5 | 176.6 | -169.1 | 172.8 | -175.5 | 170.8 | 0 | 112.9 | F410 S424 V425 I426 | F410-K422 HydrophobicContact CD1-CB 4.23Å; F410-K422 HydrophobicContact CE1-CB 4.18Å; F410-K422 HydrophobicContact CG-CB 4.48Å; F410-K422 HydrophobicContact CZ-CB 4.37Å; K422-S424 VanDerWaalsContact C-N 3.29Å; K422-S424 PolarHBondContact O-N 3.45Å; K422-V425 PolarHBondContact O-N 2.9Å; K422-I426 HydrophobicContact CG-CD1 4.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.24Å; K422-I426 PolarHBondContact O-N 3.47Å |
| 423 | S | 86.3 | Confident | 85.2 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 54% | 0.538 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 175.8 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | S421 I426 Q427 | S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.1Å; S423-I426 PolarHBondContact O-N 2.64Å; S423-Q427 WeakPolarHBondContact O-CB 3.45Å; S423-Q427 PolarHBondContact O-N 3.33Å |
| 424 | S | 86.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | S421 K422 Q427 H428 | S421-S424 WeakPolarHBondContact O-CB 3.44Å; S421-S424 PolarHBondContact O-N 3.05Å; S421-S424 VanDerWaalsContact O-N 3.12Å; S421-S424 PolarHBondContact OG-N 3.27Å; S421-S424 PolarHBondContact OG-OG 3.07Å; K422-S424 VanDerWaalsContact C-N 3.29Å; K422-S424 PolarHBondContact O-N 3.45Å; S424-Q427 PolarHBondContact O-N 2.91Å; S424-H428 VanDerWaalsContact O-CB 3.23Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-N 2.98Å |
| 425 | V | 87.5 | Confident | 83.9 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 111 | F410 C412 F419 S421 K422 Q427 H428 Q429 | F410-V425 HydrophobicContact CB-CG2 3.57Å; C412-V425 HydrophobicContact CB-CG1 4.3Å; F419-V425 HydrophobicContact CB-CG2 3.75Å; F419-V425 HydrophobicContact CD2-CB 4.42Å; F419-V425 HydrophobicContact CD2-CG2 3.63Å; F419-V425 HydrophobicContact CG-CG2 3.92Å; S421-V425 PolarHBondContact O-N 3.34Å; K422-V425 PolarHBondContact O-N 2.9Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.33Å; V425-H428 WeakPolarHBondContact O-CB 3.31Å; V425-H428 PolarHBondContact O-N 2.83Å; V425-Q429 HydrophobicContact CG1-CG 4.22Å; V425-Q429 WeakPolarHBondContact O-CB 3.24Å; V425-Q429 WeakPolarHBondContact O-CG 3.08Å; V425-Q429 PolarHBondContact O-N 3.12Å |
| 426 | I | 86.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 84.4 Ų | 84.4 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 179.9 | -66.5 | 166.4 | 0 | 0 | 0 | 110.7 | K422 S423 H428 Q429 R430 | K422-I426 HydrophobicContact CG-CD1 4.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.24Å; K422-I426 PolarHBondContact O-N 3.47Å; S423-I426 PolarHBondContact O-N 2.64Å; I426-H428 VanDerWaalsContact C-N 3.34Å; I426-Q429 PolarHBondContact O-N 2.64Å; I426-R430 WeakPolarHBondContact O-CB 3.41Å; I426-R430 VanDerWaalsContact O-CG 3.24Å; I426-R430 WeakPolarHBondContact O-CG 3.3Å; I426-R430 PolarHBondContact O-N 2.89Å |
| 427 | Q | 86.3 | Confident | 80.7 | Confident | 106 Ų | 106 | 89.7 Ų | 89.7 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.4 | -170.4 | 178.5 | 30.4 | 0 | 0 | 111.6 | S423 S424 V425 R430 R431 | S423-Q427 WeakPolarHBondContact O-CB 3.45Å; S423-Q427 PolarHBondContact O-N 3.33Å; S424-Q427 PolarHBondContact O-N 2.91Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.33Å; Q427-R430 PolarHBondContact O-N 2.85Å; Q427-R431 WeakPolarHBondContact O-CG 3.38Å; Q427-R431 PolarHBondContact O-N 2.92Å; Q427-R431 VanDerWaalsContact O-N 3.1Å |
| 428 | H | 86.9 | Confident | 78.5 | Confident | 33 Ų | 33 | 94.9 Ų | 94.9 | 15% | 0.153 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.5 | -50 | 174.7 | 171.6 | 69.7 | 0 | 0 | 0 | 111.6 | C415 F419 S424 V425 I426 R430 R431 Y432 | C415-H428 PolarHBondContact SG-NE2 3.27Å; F419-H428 HydrophobicContact CE1-CB 3.98Å; F419-H428 HydrophobicContact CE2-CB 4.16Å; F419-H428 AromaticContact CE2-CD2 3.85Å; F419-H428 AromaticContact CE2-CG 3.95Å; F419-H428 HydrophobicContact CZ-CB 3.52Å; F419-H428 AromaticContact CZ-CD2 3.69Å; F419-H428 AromaticContact CZ-CG 3.35Å; F419-H428 AromaticContact CZ-ND1 3.83Å; S424-H428 VanDerWaalsContact O-CB 3.23Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-N 2.98Å; V425-H428 WeakPolarHBondContact O-CB 3.31Å; V425-H428 PolarHBondContact O-N 2.83Å; I426-H428 VanDerWaalsContact C-N 3.34Å; H428-R430 VanDerWaalsContact C-N 3.31Å; H428-R430 PolarHBondContact O-N 3.03Å; H428-R431 WeakPolarHBondContact O-CB 3.49Å; H428-R431 PolarHBondContact O-N 3.41Å; H428-Y432 WeakPolarHBondContact O-CB 3.45Å; H428-Y432 PolarHBondContact O-N 3.1Å |
| 429 | Q | 86.3 | Confident | 78 | Confident | 61 Ų | 61 | 96 Ų | 96 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.8 | -74.7 | 175 | -25.6 | 0 | 0 | 111.9 | V425 I426 R431 Y432 A433 | V425-Q429 HydrophobicContact CG1-CG 4.22Å; V425-Q429 WeakPolarHBondContact O-CB 3.24Å; V425-Q429 WeakPolarHBondContact O-CG 3.08Å; V425-Q429 PolarHBondContact O-N 3.12Å; I426-Q429 PolarHBondContact O-N 2.64Å; Q429-R431 VanDerWaalsContact C-N 3.29Å; Q429-R431 PolarHBondContact O-N 3.43Å; Q429-Y432 PolarHBondContact O-N 2.86Å; Q429-A433 VanDerWaalsContact O-CB 3.28Å; Q429-A433 WeakPolarHBondContact O-CB 3.2Å; Q429-A433 PolarHBondContact O-N 3.35Å |
| 430 | R | 85.4 | Confident | 77.5 | Confident | 176 Ų | 176 | 98.8 Ų | 98.8 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -32.5 | 175 | -75.3 | 174.3 | -178.3 | -172.4 | -0.3 | 113.2 | I426 Q427 H428 K434 | I426-R430 WeakPolarHBondContact O-CB 3.41Å; I426-R430 VanDerWaalsContact O-CG 3.24Å; I426-R430 WeakPolarHBondContact O-CG 3.3Å; I426-R430 PolarHBondContact O-N 2.89Å; Q427-R430 PolarHBondContact O-N 2.85Å; H428-R430 VanDerWaalsContact C-N 3.31Å; H428-R430 PolarHBondContact O-N 3.03Å; R430-K434 VanDerWaalsContact O-CG 3.26Å; R430-K434 WeakPolarHBondContact O-CG 3.49Å; R430-K434 PolarHBondContact O-N 3.15Å |
| 431 | R | 84.3 | Confident | 77.2 | Confident | 150 Ų | 150 | 102.1 Ų | 102.1 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.4 | -42.2 | 175.1 | -73.1 | 178.6 | 178.2 | 174.8 | -1 | 111 | Q427 H428 Q429 K434 Q435 | Q427-R431 WeakPolarHBondContact O-CG 3.38Å; Q427-R431 PolarHBondContact O-N 2.92Å; Q427-R431 VanDerWaalsContact O-N 3.1Å; H428-R431 WeakPolarHBondContact O-CB 3.49Å; H428-R431 PolarHBondContact O-N 3.41Å; Q429-R431 VanDerWaalsContact C-N 3.29Å; Q429-R431 PolarHBondContact O-N 3.43Å; R431-K434 PolarHBondContact O-N 3.44Å; R431-K434 VanDerWaalsContact O-N 3.15Å; R431-Q435 WeakPolarHBondContact O-CG 3.18Å; R431-Q435 PolarHBondContact O-N 2.91Å |
| 432 | Y | 77.7 | Confident | 76.8 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.4 | -156.2 | -92.7 | 0 | 0 | 0 | 111.5 | V414 C415 H428 Q429 K434 Q435 G436 | V414-Y432 HydrophobicContact CG1-CD1 3.85Å; V414-Y432 HydrophobicContact CG1-CE1 3.67Å; C415-Y432 HydrophobicContact CB-CE2 4.25Å; H428-Y432 WeakPolarHBondContact O-CB 3.45Å; H428-Y432 PolarHBondContact O-N 3.1Å; Q429-Y432 PolarHBondContact O-N 2.86Å; Y432-K434 PolarHBondContact O-N 3.42Å; Y432-Q435 PolarHBondContact O-N 3.39Å; Y432-G436 PolarHBondContact O-N 3.21Å |
| 433 | A | 76.9 | Confident | 76.2 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -22.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q429 | Q429-A433 VanDerWaalsContact O-CB 3.28Å; Q429-A433 WeakPolarHBondContact O-CB 3.2Å; Q429-A433 PolarHBondContact O-N 3.35Å |
| 434 | K | 74.2 | Confident | 75.6 | Confident | 175 Ų | 175 | 107.1 Ų | 107.1 | 76% | 0.761 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -85.4 | -15.1 | 173.6 | -74.4 | 179 | 178.4 | -160.3 | 0 | 113.4 | R430 R431 Y432 | R430-K434 VanDerWaalsContact O-CG 3.26Å; R430-K434 WeakPolarHBondContact O-CG 3.49Å; R430-K434 PolarHBondContact O-N 3.15Å; R431-K434 PolarHBondContact O-N 3.44Å; R431-K434 VanDerWaalsContact O-N 3.15Å; Y432-K434 PolarHBondContact O-N 3.42Å |
| 435 | Q | 67.6 | Low | 74.8 | Confident | 158 Ų | 158 | 111.7 Ų | 111.7 | 74% | 0.738 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -103.1 | -7.5 | -178.1 | -71.9 | 177.4 | -18.2 | 0 | 0 | 112.8 | R431 Y432 | R431-Q435 WeakPolarHBondContact O-CG 3.18Å; R431-Q435 PolarHBondContact O-N 2.91Å; Y432-Q435 PolarHBondContact O-N 3.39Å |
| 436 | G | 56.9 | Low | 73.8 | Confident | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -105.6 | 28.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y432 | Y432-G436 PolarHBondContact O-N 3.21Š|
| 437 | I | 50.1 | Low | 72.7 | Confident | 148 Ų | 148 | 123.9 Ų | 123.9 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | trans | -116.9 | 81.3 | 166.7 | -53.5 | 175.7 | 0 | 0 | 0 | 105.7 | ||||
| 438 | D | 39.8 | Very low | 71.5 | Confident | 236 Ų | 236 | 125.5 Ų | 125.5 | 100% | 1.262 | 62% | 0.623 | S | S | * | * | trans | -153.3 | 0 | 154.8 | -139.3 | 1.8 | 0 | 0 | 0 | 107.9 |
Retrieved 438 of 438 residues in 2177.3 ms
(Link to these results)