| 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 | 36.3 | Very low | 34.2 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 100% | 1.202 | 82% | 0.815 | S | S | * | * | 0 | 106 | 0 | -75.7 | -156.2 | -135.6 | 0 | 0 | 108.5 | |||||
| 2 | C | 37.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 171.4 | 67.5 | 154 | -93.9 | 0 | 0 | 0 | 0 | 106.2 | L4 | C2-L4 VanDerWaalsContact C-N 3.28Å; C2-L4 PolarHBondContact O-N 3.44Å | ||
| 3 | A | 35.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 87.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | N5 | A3-N5 PolarHBondContact O-N 3.02Š| ||
| 4 | L | 38.2 | Very low | 34.6 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 106.9 | 168.2 | -88.6 | 158.2 | 0 | 0 | 0 | 107.1 | C2 A6 | C2-L4 VanDerWaalsContact C-N 3.28Å; C2-L4 PolarHBondContact O-N 3.44Å; L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.14Å | ||
| 5 | N | 34.3 | Very low | 34.9 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -50.7 | 92.1 | 163 | -78.5 | -25.4 | 0 | 0 | 0 | 109.7 | A3 N7 | A3-N5 PolarHBondContact O-N 3.02Å; N5-N7 VanDerWaalsContact C-N 3.35Å; N5-N7 PolarHBondContact O-N 3.47Å | ||
| 6 | A | 33.8 | Very low | 35.4 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -79.7 | 93.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | L4 | L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.14Å | ||
| 7 | N | 32.2 | Very low | 36.1 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -48.5 | 136.5 | 160.2 | -101.2 | -24 | 0 | 0 | 0 | 108 | N5 S9 | N5-N7 VanDerWaalsContact C-N 3.35Å; N5-N7 PolarHBondContact O-N 3.47Å; N7-S9 PolarHBondContact O-N 3.41Å | ||
| 8 | P | 32.2 | Very low | 37.2 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -70 | 77.5 | 169.5 | 28.6 | -29.4 | 0 | 0 | 0 | 107.8 | N10 | P8-N10 PolarHBondContact O-N 2.75Š| ||
| 9 | S | 32.4 | Very low | 38.9 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -72.7 | 114 | 171.7 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | N7 D11 | N7-S9 PolarHBondContact O-N 3.41Å; S9-D11 PolarHBondContact O-N 3.47Å | ||
| 10 | N | 30.9 | Very low | 41.1 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 30.2 | 88.4 | 152.6 | -81.5 | -9.8 | 0 | 0 | 0 | 114.7 | P8 P12 | P8-N10 PolarHBondContact O-N 2.75Å; N10-P12 WeakPolarHBondContact O-CD 3.29Å; N10-P12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | D | 33.1 | Very low | 43.4 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | trans | -60.3 | 112 | 157.3 | -162.5 | -23.9 | 0 | 0 | 0 | 107.4 | S9 S13 S14 | S9-D11 PolarHBondContact O-N 3.47Å; D11-S13 PolarHBondContact O-N 2.85Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; D11-S14 PolarHBondContact O-N 3.24Å | ||
| 12 | P | 34 | Very low | 46.2 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -2 | -178 | -13.5 | 29.1 | 0 | 0 | 0 | 112.3 | N10 S14 | N10-P12 WeakPolarHBondContact O-CD 3.29Å; N10-P12 VanDerWaalsContact O-N 3.15Å; P12-S14 VanDerWaalsContact C-N 3.27Å; P12-S14 PolarHBondContact O-N 2.73Å |
| 13 | S | 39.2 | Very low | 48.9 | Very low | 91 Ų | 91 | 117.6 Ų | 117.6 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -0.9 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | D11 G15 | D11-S13 PolarHBondContact O-N 2.85Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.08Å |
| 14 | S | 35.3 | Very low | 51.8 | Low | 101 Ų | 101 | 115.5 Ų | 115.5 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | trans | -78.7 | 28.5 | 170.6 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | D11 P12 E16 | D11-S14 PolarHBondContact O-N 3.24Å; P12-S14 VanDerWaalsContact C-N 3.27Å; P12-S14 PolarHBondContact O-N 2.73Å; S14-E16 PolarHBondContact O-N 3.33Å | ||
| 15 | G | 39.2 | Very low | 54.5 | Low | 54 Ų | 54 | 108.2 Ų | 108.2 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | trans | -56.6 | 113.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S13 K17 | S13-G15 PolarHBondContact O-N 3.41Å; S13-G15 VanDerWaalsContact O-N 3.08Å; G15-K17 PolarHBondContact O-N 3.14Å | ||
| 16 | E | 43.4 | Very low | 57.2 | Low | 183 Ų | 183 | 102.5 Ų | 102.5 | 86% | 0.855 | 57% | 0.571 | S | S | * | * | trans | -44.1 | 111.7 | 173.7 | -87.1 | -176.3 | 143.2 | 0 | 0 | 107.4 | S14 V18 | S14-E16 PolarHBondContact O-N 3.33Å; E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.49Å | ||
| 17 | K | 46 | Very low | 59.7 | Low | 202 Ų | 202 | 103.1 Ų | 103.1 | 88% | 0.878 | 56% | 0.557 | S | S | * | * | trans | -62.5 | 98.8 | 179.9 | -83.7 | -179.6 | 176.4 | 173.6 | 0 | 106.6 | G15 K19 | G15-K17 PolarHBondContact O-N 3.14Å; K17-K19 PolarHBondContact O-N 3.01Å | ||
| 18 | V | 56.8 | Low | 61.9 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 58% | 0.582 | 53% | 0.533 | S | S | * | . | trans | -55 | 103.6 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | E16 K100 | E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.49Å; V18-K100 HydrophobicContact CG1-CB 4.18Å; V18-K100 HydrophobicContact CG1-CD 3.94Å | ||
| 19 | K | 70.2 | Confident | 63.8 | Low | 162 Ų | 162 | 97.3 Ų | 97.3 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 124.2 | -169.4 | -169 | 178.2 | 178.1 | -175.6 | 0 | 108.8 | K17 H21 | K17-K19 PolarHBondContact O-N 3.01Å; K19-H21 PolarHBondContact O-CE1 2.91Å; K19-H21 PolarHBondContact O-N 3.1Å; K19-H21 PolarHBondContact O-ND1 2.79Å; K19-H21 VanDerWaalsContact O-ND1 3.09Å |
| 20 | F | 82 | Confident | 66.1 | Low | 67 Ų | 67 | 99.5 Ų | 99.5 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 131.4 | 166.5 | -77.9 | -88.6 | 0 | 0 | 0 | 109.5 | L55 K57 I99 K100 | F20-L55 HydrophobicContact CE1-CD2 4.46Å; F20-L55 HydrophobicContact CZ-CD2 4.31Å; F20-K57 HydrophobicContact CD1-CD 4.37Å; F20-K57 HydrophobicContact CE1-CD 3.56Å; F20-K57 HydrophobicContact CE1-CG 3.97Å; F20-K57 HydrophobicContact CZ-CD 3.7Å; F20-K57 HydrophobicContact CZ-CG 4.5Å; F20-I99 CarbonylContact C-O 3.47Å; F20-I99 WeakPolarHBondContact CA-O 3.47Å; F20-K100 HydrophobicContact CD1-CB 3.98Å; F20-K100 HydrophobicContact CD1-CD 4.37Å; F20-K100 HydrophobicContact CD1-CG 4Å; F20-K100 HydrophobicContact CD2-CD 4.46Å; F20-K100 HydrophobicContact CE1-CB 4.07Å; F20-K100 HydrophobicContact CE1-CD 3.75Å; F20-K100 HydrophobicContact CE1-CG 3.55Å; F20-K100 HydrophobicContact CE2-CD 3.84Å; F20-K100 HydrophobicContact CE2-CG 4.49Å; F20-K100 HydrophobicContact CG-CB 4.38Å; F20-K100 HydrophobicContact CZ-CD 3.45Å; F20-K100 VanDerWaalsContact CZ-CD 3.45Å; F20-K100 HydrophobicContact CZ-CG 3.84Å |
| 21 | H | 90.3 | Very high | 68.5 | Low | 50 Ų | 50 | 96.4 Ų | 96.4 | 23% | 0.231 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.5 | 172.1 | -66.2 | 72.5 | 0 | 0 | 0 | 108.6 | K19 M46 S98 I99 | K19-H21 PolarHBondContact O-CE1 2.91Å; K19-H21 PolarHBondContact O-N 3.1Å; K19-H21 PolarHBondContact O-ND1 2.79Å; K19-H21 VanDerWaalsContact O-ND1 3.09Å; H21-M46 HydrophobicContact CB-CE 4.33Å; H21-M46 HydrophobicContact CB-SD 4.11Å; H21-S98 CarbonylContact O-C 3.58Å; H21-S98 VanDerWaalsContact O-CA 3.31Å; H21-S98 WeakPolarHBondContact O-CA 3.13Å; H21-I99 HydrophobicContact CB-CG2 3.98Å; H21-I99 PolarHBondContact N-O 3.18Å; H21-I99 PolarHBondContact O-N 3.4Å |
| 22 | R | 93.3 | Very high | 71.2 | Confident | 199 Ų | 199 | 92.8 Ų | 92.8 | 75% | 0.751 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.5 | 176.2 | -73.9 | -177.5 | 167.1 | 178.4 | -5 | 109.2 | I96 I97 | R22-I96 HydrophobicContact CB-CG2 3.9Å; R22-I96 HydrophobicContact CG-CG2 4.19Å; R22-I97 VanDerWaalsContact CA-O 3.3Å; R22-I97 WeakPolarHBondContact CA-O 3.47Å |
| 23 | L | 95.5 | Very high | 74 | Confident | 2 Ų | 2 | 87.9 Ų | 87.9 | 1% | 0.01 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.5 | -178.9 | -60.3 | 176.3 | 0 | 0 | 0 | 110.2 | L38 K42 D77 I79 I96 I97 I99 | L23-L38 HydrophobicContact CD1-CD2 3.47Å; L23-L38 VanDerWaalsContact CD1-CD2 3.47Å; L23-K42 HydrophobicContact CD1-CD 4.37Å; L23-K42 HydrophobicContact CD1-CG 4.2Å; L23-K42 HydrophobicContact CD2-CD 3.99Å; L23-K42 HydrophobicContact CD2-CG 4.4Å; L23-D77 WeakPolarHBondContact CA-O 3.27Å; L23-I79 HydrophobicContact CB-CB 4.02Å; L23-I79 HydrophobicContact CB-CG2 3.78Å; L23-I79 HydrophobicContact CD1-CB 3.88Å; L23-I79 HydrophobicContact CD1-CG2 4.47Å; L23-I96 WeakPolarHBondContact O-CA 3.45Å; L23-I97 HydrophobicContact CB-CD1 4.29Å; L23-I97 PolarHBondContact N-O 3.45Å; L23-I97 VanDerWaalsContact N-O 3.13Å; L23-I97 PolarHBondContact O-N 3.24Å; L23-I99 HydrophobicContact CD1-CG2 3.66Å; L23-I99 HydrophobicContact CG-CG2 4.18Å |
| 24 | I | 95 | Very high | 76.5 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.1 | 177.1 | -58.3 | 171.2 | 0 | 0 | 0 | 108.8 | D77 K78 I79 D95 I96 | I24-D77 PolarHBondContact N-O 3.5Å; I24-K78 HydrophobicContact CB-CG 4.26Å; I24-K78 CarbonylContact O-C 3.54Å; I24-K78 WeakPolarHBondContact O-CA 3.4Å; I24-K78 WeakPolarHBondContact O-CB 3.48Å; I24-I79 PolarHBondContact O-N 3.21Å; I24-D95 WeakPolarHBondContact CA-O 3.27Å; I24-I96 HydrophobicContact CG1-CG1 4.42Å |
| 25 | V | 94.8 | Very high | 79.4 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.1 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | I79 L81 R86 V91 P93 G94 D95 I97 | V25-I79 CarbonylContact C-O 3.49Å; V25-I79 HydrophobicContact CG2-CG2 4.44Å; V25-L81 HydrophobicContact CG1-CB 4.37Å; V25-L81 HydrophobicContact CG1-CD1 4Å; V25-L81 HydrophobicContact CG1-CG 4.33Å; V25-L81 HydrophobicContact CG2-CD1 3.87Å; V25-R86 HydrophobicContact CG1-CG 4.02Å; V25-V91 HydrophobicContact CG2-CB 4.38Å; V25-V91 HydrophobicContact CG2-CG2 4.1Å; V25-P93 CarbonylContact O-C 3.47Å; V25-P93 WeakPolarHBondContact O-CA 3.33Å; V25-G94 PolarHBondContact O-N 3.2Å; V25-D95 WeakPolarHBondContact CG2-O 3.37Å; V25-D95 PolarHBondContact N-O 3.29Å; V25-I97 HydrophobicContact CG2-CB 4.32Å; V25-I97 HydrophobicContact CG2-CG1 4.03Å; V25-I97 HydrophobicContact CG2-CG2 3.49Å; V25-I97 VanDerWaalsContact CG2-CG2 3.49Å |
| 26 | D | 92.4 | Very high | 82.1 | Confident | 37 Ų | 37 | 77 Ų | 77 | 20% | 0.198 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 168.3 | 176.7 | -151.9 | -11.4 | 0 | 0 | 0 | 111 | K78 I79 R80 L81 | D26-K78 HydrophobicContact CB-CB 4.5Å; D26-K78 HydrophobicContact CB-CD 3.99Å; D26-K78 WeakPolarHBondContact OD2-CD 3.48Å; D26-K78 IonicContact OD2-NZ 3.66Å; D26-K78 PolarHBondContact OD2-NZ 3.09Å; D26-I79 PolarHBondContact N-O 2.84Å; D26-R80 HydrophobicContact CB-CG 3.96Å; D26-R80 WeakPolarHBondContact O-CA 3.12Å; D26-L81 PolarHBondContact O-N 3.17Å |
| 27 | E | 84.5 | Confident | 84.6 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | trans | -84.7 | 139.2 | -179.2 | -57.9 | -155.9 | 137.5 | 0 | 0 | 112 | R80 R86 P93 | E27-R80 VanDerWaalsContact O-CD 3.31Å; E27-R80 WeakPolarHBondContact O-CD 3.32Å; E27-R80 VanDerWaalsContact O-CG 3.3Å; E27-R80 WeakPolarHBondContact O-CG 3.38Å; E27-R80 PolarHBondContact O-NE 2.67Å; E27-R86 IonicContact OE1-CZ 3.48Å; E27-R86 IonicContact OE1-NH1 3.16Å; E27-R86 IonicContact OE1-NH2 2.87Å; E27-R86 PolarHBondContact OE1-NH2 3.31Å; E27-P93 HydrophobicContact CG-CB 4.41Å; E27-P93 HydrophobicContact CG-CG 3.94Å | ||
| 28 | P | 79 | Confident | 87 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | trans | -84.7 | 157.7 | -177.4 | 37.1 | -37.4 | 0 | 0 | 0 | 112.1 | Y37 R80 L81 N82 | P28-Y37 HydrophobicContact CB-CD2 4.06Å; P28-Y37 HydrophobicContact CB-CE2 4.12Å; P28-R80 HydrophobicContact CB-CB 4.08Å; P28-L81 VanDerWaalsContact CD-O 3.29Å; P28-L81 WeakPolarHBondContact CD-O 3.32Å; P28-N82 HydrophobicContact CG-CB 3.85Å | ||
| 29 | V | 73.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 55.3 Ų | 55.3 | 66% | 0.661 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -79.8 | -27.2 | 172.5 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 30 | K | 79.5 | Confident | 90.1 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -125 | 138.8 | -177.5 | -70.5 | -179.7 | -177.6 | 178 | 0 | 110.9 | D32 Y37 | K30-D32 PolarHBondContact O-N 2.9Å; K30-Y37 HydrophobicContact CB-CE2 4.46Å; K30-Y37 VanDerWaalsContact CB-OH 3.3Å; K30-Y37 WeakPolarHBondContact CB-OH 3.42Å |
| 31 | D | 81.9 | Confident | 90.6 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | trans | -93.9 | 95.4 | -179.2 | -168.4 | 28.6 | 0 | 0 | 0 | 110.9 | N82 R152 | D31-N82 PolarHBondContact OD1-ND2 2.71Å; D31-R152 IonicContact OD2-CZ 3.75Å; D31-R152 IonicContact OD2-NH1 3.96Å; D31-R152 PolarHBondContact OD2-NH1 2.78Å; D31-R152 IonicContact OD2-NH2 2.79Å; D31-R152 PolarHBondContact OD2-NH2 3.18Å | ||
| 32 | D | 89.4 | Confident | 90.8 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | trans | -133.5 | 126.5 | 169.2 | -172.9 | -56.9 | 0 | 0 | 0 | 109.2 | K30 S34 V35 N82 R141 | K30-D32 PolarHBondContact O-N 2.9Å; D32-S34 PolarHBondContact O-N 2.82Å; D32-S34 PolarHBondContact OD1-N 2.94Å; D32-V35 HydrophobicContact CB-CB 4.11Å; D32-V35 HydrophobicContact CB-CG2 4.09Å; D32-V35 PolarHBondContact O-N 3.42Å; D32-N82 PolarHBondContact O-ND2 3.14Å; D32-R141 VanDerWaalsContact CG-NH1 3.3Å; D32-R141 IonicContact OD1-CZ 3.63Å; D32-R141 IonicContact OD1-NH1 2.79Å; D32-R141 PolarHBondContact OD1-NH1 3.01Å; D32-R141 IonicContact OD1-NH2 3.74Å; D32-R141 IonicContact OD2-CZ 3.03Å; D32-R141 IonicContact OD2-NH1 3.64Å; D32-R141 PolarHBondContact OD2-NH1 2.92Å; D32-R141 VanDerWaalsContact OD2-NH1 3.16Å; D32-R141 IonicContact OD2-NH2 3.58Å; D32-R141 PolarHBondContact OD2-NH2 2.77Å | ||
| 33 | N | 92.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.3 | -173.4 | -57.3 | -35 | 0 | 0 | 0 | 114.3 | N82 C84 I85 Y135 F149 I150 | N33-N82 PolarHBondContact OD1-ND2 3.2Å; N33-C84 HydrophobicContact CB-CB 4.12Å; N33-C84 WeakPolarHBondContact OD1-CB 3.08Å; N33-I85 WeakPolarHBondContact O-CG1 3.38Å; N33-Y135 WeakPolarHBondContact CB-OH 3.22Å; N33-Y135 PolarHBondContact ND2-OH 3.42Å; N33-Y135 VanDerWaalsContact ND2-OH 3.14Å; N33-F149 HydrophobicContact CB-CB 4.35Å; N33-I150 PolarHBondContact ND2-O 2.84Å |
| 34 | S | 93 | Very high | 90.8 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 0.8 | -175.4 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | D32 C66 V67 R141 | D32-S34 PolarHBondContact O-N 2.82Å; D32-S34 PolarHBondContact OD1-N 2.94Å; S34-C66 CarbonylContact O-C 3.45Å; S34-C66 WeakPolarHBondContact O-CA 3.42Å; S34-V67 PolarHBondContact O-N 3.35Å; S34-R141 WeakPolarHBondContact OG-CG 3.37Å; S34-R141 PolarHBondContact OG-NH1 2.8Å; S34-R141 VanDerWaalsContact OG-NH1 3.09Å |
| 35 | V | 95.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.6 | -172.7 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | D32 Y37 V67 I69 I85 | D32-V35 HydrophobicContact CB-CB 4.11Å; D32-V35 HydrophobicContact CB-CG2 4.09Å; D32-V35 PolarHBondContact O-N 3.42Å; V35-Y37 HydrophobicContact CG1-CD1 4.31Å; V35-Y37 HydrophobicContact CG1-CD2 4.31Å; V35-Y37 HydrophobicContact CG1-CE1 3.82Å; V35-Y37 HydrophobicContact CG1-CE2 3.82Å; V35-V67 CarbonylContact C-O 3.55Å; V35-V67 WeakPolarHBondContact CA-O 3.16Å; V35-V67 HydrophobicContact CG2-CB 4.45Å; V35-I69 HydrophobicContact CB-CD1 4.44Å; V35-I69 HydrophobicContact CG1-CB 3.92Å; V35-I69 HydrophobicContact CG1-CD1 3.57Å; V35-I69 HydrophobicContact CG1-CG1 3.69Å; V35-I69 HydrophobicContact CG2-CD1 3.93Å; V35-I85 VanDerWaalsContact O-CD1 3.28Å; V35-I85 WeakPolarHBondContact O-CD1 3.5Å |
| 36 | V | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.5 | 165.8 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | V54 V56 C66 V67 A68 I69 I79 L81 I85 I99 | V36-V54 HydrophobicContact CG2-CG2 3.76Å; V36-V56 HydrophobicContact CG1-CG2 4.43Å; V36-C66 HydrophobicContact CB-CB 4.48Å; V36-C66 HydrophobicContact CG1-CB 3.61Å; V36-C66 HydrophobicContact CG2-CB 4.24Å; V36-V67 PolarHBondContact N-O 2.91Å; V36-A68 HydrophobicContact CG2-CB 4.32Å; V36-I69 PolarHBondContact O-N 3.47Å; V36-I79 HydrophobicContact CB-CD1 4Å; V36-I79 HydrophobicContact CB-CG1 4.18Å; V36-I79 HydrophobicContact CG1-CD1 4.3Å; V36-I79 HydrophobicContact CG2-CD1 4.19Å; V36-L81 HydrophobicContact CB-CD2 3.89Å; V36-L81 HydrophobicContact CG1-CD2 3.25Å; V36-I85 HydrophobicContact CG1-CD1 4.16Å; V36-I99 HydrophobicContact CG2-CD1 4.32Å |
| 37 | Y | 96.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.3 | 179 | -51.1 | -95.5 | 0 | 0 | 0 | 111.5 | P28 K30 V35 I69 D71 R80 | P28-Y37 HydrophobicContact CB-CD2 4.06Å; P28-Y37 HydrophobicContact CB-CE2 4.12Å; K30-Y37 HydrophobicContact CB-CE2 4.46Å; K30-Y37 VanDerWaalsContact CB-OH 3.3Å; K30-Y37 WeakPolarHBondContact CB-OH 3.42Å; V35-Y37 HydrophobicContact CG1-CD1 4.31Å; V35-Y37 HydrophobicContact CG1-CD2 4.31Å; V35-Y37 HydrophobicContact CG1-CE1 3.82Å; V35-Y37 HydrophobicContact CG1-CE2 3.82Å; Y37-I69 VanDerWaalsContact CA-O 3.32Å; Y37-I69 WeakPolarHBondContact CA-O 3.35Å; Y37-I69 HydrophobicContact CD1-CB 4.13Å; Y37-I69 HydrophobicContact CD1-CG2 4.18Å; Y37-I69 HydrophobicContact CE1-CB 4.23Å; Y37-I69 HydrophobicContact CE1-CG2 4.16Å; Y37-D71 HydrophobicContact CD1-CB 4.11Å; Y37-D71 HydrophobicContact CG-CB 4.29Å; Y37-R80 HydrophobicContact CD2-CB 4.38Å; Y37-R80 PolarHBondContact N-O 2.76Å; Y37-R80 PolarHBondContact O-N 2.64Å |
| 38 | L | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154.5 | -178.7 | -65.2 | 174.4 | 0 | 0 | 0 | 109.5 | L23 K42 M43 L48 A68 I69 V70 D71 I79 I99 | L23-L38 HydrophobicContact CD1-CD2 3.47Å; L23-L38 VanDerWaalsContact CD1-CD2 3.47Å; L38-K42 HydrophobicContact CB-CB 4.43Å; L38-K42 HydrophobicContact CB-CG 4.44Å; L38-K42 HydrophobicContact CD1-CG 4.49Å; L38-K42 HydrophobicContact CD2-CG 4.14Å; L38-M43 HydrophobicContact CB-CG 3.86Å; L38-M43 HydrophobicContact CB-SD 3.98Å; L38-M43 HydrophobicContact CD1-CG 4.47Å; L38-M43 HydrophobicContact CD1-SD 3.67Å; L38-M43 HydrophobicContact CG-SD 4.38Å; L38-L48 HydrophobicContact CD1-CD1 4.12Å; L38-A68 HydrophobicContact CD1-CB 4.36Å; L38-I69 PolarHBondContact N-O 2.93Å; L38-V70 CarbonylContact O-C 3.49Å; L38-V70 WeakPolarHBondContact O-CA 3.46Å; L38-D71 PolarHBondContact O-N 3.45Å; L38-I79 HydrophobicContact CD2-CB 3.83Å; L38-I79 HydrophobicContact CD2-CD1 4.02Å; L38-I79 HydrophobicContact CD2-CG1 3.67Å; L38-I99 HydrophobicContact CD1-CD1 4.12Å |
| 39 | S | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | trans | -65.1 | 157 | 170.3 | 84.2 | 0 | 0 | 0 | 0 | 111.3 | A41 K42 M43 C74 D76 | S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.37Å; S39-K42 PolarHBondContact O-N 3Å; S39-K42 WeakPolarHBondContact OG-CB 3.3Å; S39-K42 PolarHBondContact OG-N 2.98Å; S39-M43 WeakPolarHBondContact O-CG 3.29Å; S39-M43 PolarHBondContact O-N 3.25Å; S39-C74 WeakPolarHBondContact CB-O 3.33Å; S39-D76 WeakPolarHBondContact CB-OD1 3.32Å; S39-D76 PolarHBondContact OG-OD1 3.13Å | ||
| 40 | Q | 95.3 | Very high | 92.4 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175 | -175.4 | 62.8 | 55.1 | 0 | 0 | 111 | K42 M43 D44 V70 | Q40-K42 VanDerWaalsContact C-N 3.27Å; Q40-K42 PolarHBondContact O-N 2.89Å; Q40-M43 WeakPolarHBondContact O-CB 3.34Å; Q40-M43 PolarHBondContact O-N 2.66Å; Q40-M43 VanDerWaalsContact O-N 3.17Å; Q40-D44 PolarHBondContact NE2-OD1 3.21Å; Q40-D44 PolarHBondContact O-N 3.43Å; Q40-V70 HydrophobicContact CB-CG1 4.02Å; Q40-V70 VanDerWaalsContact OE1-CG2 3.28Å |
| 41 | A | 94.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S39 S45 | S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.37Å; A41-S45 WeakPolarHBondContact O-CB 3.3Å; A41-S45 PolarHBondContact O-N 3.25Å; A41-S45 PolarHBondContact O-OG 2.85Å |
| 42 | K | 94.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 174.2 | -175.7 | 52.7 | 55.4 | -173.2 | 0 | 111.6 | L23 L38 S39 Q40 D44 S45 M46 D76 | L23-K42 HydrophobicContact CD1-CD 4.37Å; L23-K42 HydrophobicContact CD1-CG 4.2Å; L23-K42 HydrophobicContact CD2-CD 3.99Å; L23-K42 HydrophobicContact CD2-CG 4.4Å; L38-K42 HydrophobicContact CB-CB 4.43Å; L38-K42 HydrophobicContact CB-CG 4.44Å; L38-K42 HydrophobicContact CD1-CG 4.49Å; L38-K42 HydrophobicContact CD2-CG 4.14Å; S39-K42 PolarHBondContact O-N 3Å; S39-K42 WeakPolarHBondContact OG-CB 3.3Å; S39-K42 PolarHBondContact OG-N 2.98Å; Q40-K42 VanDerWaalsContact C-N 3.27Å; Q40-K42 PolarHBondContact O-N 2.89Å; K42-D44 VanDerWaalsContact C-N 3.32Å; K42-D44 PolarHBondContact O-N 3.18Å; K42-S45 PolarHBondContact O-N 3.24Å; K42-S45 PolarHBondContact O-OG 3.39Å; K42-M46 HydrophobicContact CD-CG 4.16Å; K42-M46 HydrophobicContact CD-SD 3.86Å; K42-M46 HydrophobicContact CG-SD 4.11Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 2.96Å; K42-M46 VanDerWaalsContact O-N 3.1Å; K42-D76 WeakPolarHBondContact CE-O 3.39Å; K42-D76 PolarHBondContact NZ-O 3.03Å |
| 43 | M | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.4 | -48.8 | 176.2 | -71.2 | -74 | -74.5 | 0 | 0 | 110.8 | L38 S39 Q40 S45 M46 N47 L48 F49 A68 V70 | L38-M43 HydrophobicContact CB-CG 3.86Å; L38-M43 HydrophobicContact CB-SD 3.98Å; L38-M43 HydrophobicContact CD1-CG 4.47Å; L38-M43 HydrophobicContact CD1-SD 3.67Å; L38-M43 HydrophobicContact CG-SD 4.38Å; S39-M43 WeakPolarHBondContact O-CG 3.29Å; S39-M43 PolarHBondContact O-N 3.25Å; Q40-M43 WeakPolarHBondContact O-CB 3.34Å; Q40-M43 PolarHBondContact O-N 2.66Å; Q40-M43 VanDerWaalsContact O-N 3.17Å; M43-S45 PolarHBondContact O-N 3.35Å; M43-M46 CarbonylContact O-C 3.5Å; M43-M46 PolarHBondContact O-N 3.32Å; M43-M46 VanDerWaalsContact O-N 3.1Å; M43-N47 PolarHBondContact O-N 3.08Å; M43-N47 VanDerWaalsContact O-N 3.1Å; M43-L48 HydrophobicContact CB-CB 4.4Å; M43-L48 HydrophobicContact CE-CB 3.62Å; M43-L48 PolarHBondContact O-N 3.01Å; M43-L48 HydrophobicContact SD-CB 3.65Å; M43-L48 HydrophobicContact SD-CD1 3.91Å; M43-L48 HydrophobicContact SD-CG 4.45Å; M43-F49 VanDerWaalsContact CE-O 3.27Å; M43-F49 WeakPolarHBondContact CE-O 3.46Å; M43-A68 HydrophobicContact CE-CB 3.89Å; M43-A68 HydrophobicContact SD-CB 3.73Å; M43-V70 HydrophobicContact CE-CG2 4.37Å; M43-V70 HydrophobicContact CG-CG2 4.01Å |
| 44 | D | 93.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 178 | -62.6 | -20.6 | 0 | 0 | 0 | 111.4 | Q40 K42 M46 N47 | Q40-D44 PolarHBondContact NE2-OD1 3.21Å; Q40-D44 PolarHBondContact O-N 3.43Å; K42-D44 VanDerWaalsContact C-N 3.32Å; K42-D44 PolarHBondContact O-N 3.18Å; D44-M46 PolarHBondContact O-N 2.94Å; D44-M46 VanDerWaalsContact O-N 3.14Å; D44-N47 PolarHBondContact O-N 2.97Å; D44-N47 PolarHBondContact O-OD1 3.48Å |
| 45 | S | 91.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -23.1 | 178.4 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | A41 K42 M43 | A41-S45 WeakPolarHBondContact O-CB 3.3Å; A41-S45 PolarHBondContact O-N 3.25Å; A41-S45 PolarHBondContact O-OG 2.85Å; K42-S45 PolarHBondContact O-N 3.24Å; K42-S45 PolarHBondContact O-OG 3.39Å; M43-S45 PolarHBondContact O-N 3.35Å |
| 46 | M | 90.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.069 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 1.4 | 178.6 | -69.2 | -177.6 | 67.3 | 0 | 0 | 112.9 | H21 K42 M43 D44 L48 I99 | H21-M46 HydrophobicContact CB-CE 4.33Å; H21-M46 HydrophobicContact CB-SD 4.11Å; K42-M46 HydrophobicContact CD-CG 4.16Å; K42-M46 HydrophobicContact CD-SD 3.86Å; K42-M46 HydrophobicContact CG-SD 4.11Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 2.96Å; K42-M46 VanDerWaalsContact O-N 3.1Å; M43-M46 CarbonylContact O-C 3.5Å; M43-M46 PolarHBondContact O-N 3.32Å; M43-M46 VanDerWaalsContact O-N 3.1Å; D44-M46 PolarHBondContact O-N 2.94Å; D44-M46 VanDerWaalsContact O-N 3.14Å; M46-L48 HydrophobicContact CB-CD1 3.77Å; M46-L48 HydrophobicContact CB-CG 3.8Å; M46-L48 HydrophobicContact CE-CD1 3.8Å; M46-L48 PolarHBondContact O-N 2.69Å; M46-L48 HydrophobicContact SD-CD1 4.02Å; M46-I99 HydrophobicContact CE-CB 4.45Å; M46-I99 HydrophobicContact CE-CG1 4.07Å; M46-I99 HydrophobicContact CE-CG2 3.83Å; M46-I99 HydrophobicContact SD-CG2 4.18Å |
| 47 | N | 91.6 | Very high | 94.4 | Very high | 134 Ų | 134 | 49.8 Ų | 49.8 | 72% | 0.717 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40.7 | -170.2 | -60.3 | -42.5 | 0 | 0 | 0 | 112.5 | M43 D44 | M43-N47 PolarHBondContact O-N 3.08Å; M43-N47 VanDerWaalsContact O-N 3.1Å; D44-N47 PolarHBondContact O-N 2.97Å; D44-N47 PolarHBondContact O-OD1 3.48Å |
| 48 | L | 93 | Very high | 94 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 134 | 176.3 | -69.4 | 171.7 | 0 | 0 | 0 | 110.1 | L38 M43 M46 D52 V54 A68 S101 | L38-L48 HydrophobicContact CD1-CD1 4.12Å; M43-L48 HydrophobicContact CB-CB 4.4Å; M43-L48 HydrophobicContact CE-CB 3.62Å; M43-L48 PolarHBondContact O-N 3.01Å; M43-L48 HydrophobicContact SD-CB 3.65Å; M43-L48 HydrophobicContact SD-CD1 3.91Å; M43-L48 HydrophobicContact SD-CG 4.45Å; M46-L48 HydrophobicContact CB-CD1 3.77Å; M46-L48 HydrophobicContact CB-CG 3.8Å; M46-L48 HydrophobicContact CE-CD1 3.8Å; M46-L48 PolarHBondContact O-N 2.69Å; M46-L48 HydrophobicContact SD-CD1 4.02Å; L48-D52 HydrophobicContact CD2-CB 3.88Å; L48-V54 HydrophobicContact CD1-CG1 3.66Å; L48-V54 HydrophobicContact CD2-CG1 3.79Å; L48-V54 HydrophobicContact CG-CG1 4.42Å; L48-A68 HydrophobicContact CD1-CB 4.34Å; L48-S101 WeakPolarHBondContact CD2-OG 3.31Å |
| 49 | F | 93.2 | Very high | 93.4 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 67% | 0.671 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 158.3 | 167.4 | -60 | -83.8 | 0 | 0 | 0 | 110.5 | M43 G51 D52 | M43-F49 VanDerWaalsContact CE-O 3.27Å; M43-F49 WeakPolarHBondContact CE-O 3.46Å; F49-G51 PolarHBondContact O-N 3.45Å; F49-D52 PolarHBondContact N-OD2 3.46Å; F49-D52 VanDerWaalsContact O-CB 3.27Å; F49-D52 WeakPolarHBondContact O-CB 3.33Å; F49-D52 PolarHBondContact O-N 2.75Å |
| 50 | R | 92 | Very high | 92.5 | Very high | 202 Ų | 202 | 55.9 Ų | 55.9 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 123.5 | 175.6 | 176.5 | -177.7 | 175.2 | -178.9 | -1.6 | 109.6 | ||
| 51 | G | 90.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 56 Ų | 56 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -9.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | F49 A68 | F49-G51 PolarHBondContact O-N 3.45Å; G51-A68 PolarHBondContact N-O 2.55Å |
| 52 | D | 95.5 | Very high | 91.3 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -65.3 | 146.5 | 176.9 | -75.1 | 0.7 | 0 | 0 | 0 | 111.3 | L48 F49 A68 | L48-D52 HydrophobicContact CD2-CB 3.88Å; F49-D52 PolarHBondContact N-OD2 3.46Å; F49-D52 VanDerWaalsContact O-CB 3.27Å; F49-D52 WeakPolarHBondContact O-CB 3.33Å; F49-D52 PolarHBondContact O-N 2.75Å; D52-A68 PolarHBondContact O-N 2.87Å | ||
| 53 | T | 96.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.8 | 178 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | C66 V67 L102 I105 P142 I172 | T53-C66 CarbonylContact C-O 3.58Å; T53-C66 VanDerWaalsContact CA-O 3.28Å; T53-C66 WeakPolarHBondContact CA-O 3.23Å; T53-V67 HydrophobicContact CG2-CG2 4.38Å; T53-L102 CarbonylContact O-C 3.55Å; T53-L102 WeakPolarHBondContact O-CA 3.3Å; T53-L102 PolarHBondContact O-N 3Å; T53-L102 PolarHBondContact OG1-O 3.2Å; T53-I105 HydrophobicContact CG2-CG2 3.86Å; T53-I105 WeakPolarHBondContact OG1-CG2 3.39Å; T53-P142 HydrophobicContact CG2-CG 4.44Å; T53-I172 HydrophobicContact CG2-CD1 4.09Å |
| 54 | V | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.3 | -177.6 | -68.2 | 0 | 0 | 0 | 0 | 110.4 | V36 L48 V56 V65 C66 A68 I99 K100 | V36-V54 HydrophobicContact CG2-CG2 3.76Å; L48-V54 HydrophobicContact CD1-CG1 3.66Å; L48-V54 HydrophobicContact CD2-CG1 3.79Å; L48-V54 HydrophobicContact CG-CG1 4.42Å; V54-V56 HydrophobicContact CG2-CG2 4.14Å; V54-V65 WeakPolarHBondContact O-CA 3.35Å; V54-C66 HydrophobicContact CG2-CB 4.1Å; V54-C66 WeakPolarHBondContact CG2-O 3.42Å; V54-C66 PolarHBondContact N-O 2.73Å; V54-C66 PolarHBondContact O-N 2.97Å; V54-A68 HydrophobicContact CG1-CB 3.92Å; V54-A68 HydrophobicContact CG2-CB 4.34Å; V54-I99 HydrophobicContact CB-CD1 3.9Å; V54-I99 HydrophobicContact CB-CG1 3.94Å; V54-I99 HydrophobicContact CG1-CD1 4.14Å; V54-I99 HydrophobicContact CG1-CG1 4.33Å; V54-I99 HydrophobicContact CG2-CD1 3.83Å; V54-I99 HydrophobicContact CG2-CG1 4.33Å; V54-K100 CarbonylContact C-O 3.38Å; V54-K100 VanDerWaalsContact CA-O 3.22Å; V54-K100 WeakPolarHBondContact CA-O 3.5Å; V54-K100 WeakPolarHBondContact CB-O 3.36Å |
| 55 | L | 96.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.1 | 167.1 | -174.5 | 73.6 | 0 | 0 | 0 | 108.7 | F20 E63 V65 I99 K100 L102 Y170 | F20-L55 HydrophobicContact CE1-CD2 4.46Å; F20-L55 HydrophobicContact CZ-CD2 4.31Å; L55-E63 HydrophobicContact CD1-CB 4.37Å; L55-E63 HydrophobicContact CD1-CG 4.29Å; L55-V65 HydrophobicContact CD1-CG1 3.78Å; L55-I99 WeakPolarHBondContact O-CA 3.41Å; L55-K100 HydrophobicContact CB-CG 3.93Å; L55-K100 PolarHBondContact N-O 3.02Å; L55-K100 PolarHBondContact O-N 2.78Å; L55-L102 HydrophobicContact CB-CB 4.46Å; L55-L102 HydrophobicContact CB-CD2 4.31Å; L55-Y170 HydrophobicContact CD1-CE1 4.45Å |
| 56 | V | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.9 | 178.8 | -165.8 | 0 | 0 | 0 | 0 | 109 | V36 V54 E63 T64 L89 I97 S98 I99 | V36-V56 HydrophobicContact CG1-CG2 4.43Å; V54-V56 HydrophobicContact CG2-CG2 4.14Å; V56-E63 CarbonylContact O-C 3.55Å; V56-E63 WeakPolarHBondContact O-CA 3.45Å; V56-E63 WeakPolarHBondContact O-CB 3.5Å; V56-T64 PolarHBondContact N-O 3.24Å; V56-T64 PolarHBondContact O-N 3.45Å; V56-L89 HydrophobicContact CB-CD1 4.02Å; V56-L89 HydrophobicContact CB-CD2 4.46Å; V56-L89 HydrophobicContact CG1-CD1 3.46Å; V56-L89 VanDerWaalsContact CG1-CD1 3.46Å; V56-L89 HydrophobicContact CG1-CD2 4.44Å; V56-L89 WeakPolarHBondContact O-CD2 3.33Å; V56-I97 HydrophobicContact CG1-CB 4.35Å; V56-I97 HydrophobicContact CG1-CD1 3.86Å; V56-I97 HydrophobicContact CG1-CG1 4.15Å; V56-S98 CarbonylContact C-O 3.59Å; V56-I99 HydrophobicContact CG2-CD1 4.16Å; V56-I99 HydrophobicContact CG2-CG1 4.23Å |
| 57 | K | 94.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 34% | 0.335 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.9 | 179 | -66.5 | -174 | 165.3 | -179.8 | 0 | 110.5 | F20 E63 I97 S98 | F20-K57 HydrophobicContact CD1-CD 4.37Å; F20-K57 HydrophobicContact CE1-CD 3.56Å; F20-K57 HydrophobicContact CE1-CG 3.97Å; F20-K57 HydrophobicContact CZ-CD 3.7Å; F20-K57 HydrophobicContact CZ-CG 4.5Å; K57-E63 WeakPolarHBondContact CE-OE2 3.39Å; K57-E63 HydrophobicContact CG-CB 3.9Å; K57-E63 IonicContact NZ-OE2 3.66Å; K57-I97 WeakPolarHBondContact O-CA 3.4Å; K57-I97 WeakPolarHBondContact O-CB 3.32Å; K57-S98 PolarHBondContact N-O 3.34Å; K57-S98 PolarHBondContact O-N 2.89Å |
| 58 | G | 89.9 | Confident | 92.3 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | trans | -110.7 | -148.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K62 L89 | G58-K62 PolarHBondContact N-O 2.98Å; G58-L89 CarbonylContact C-O 3.54Å; G58-L89 WeakPolarHBondContact CA-O 3.22Å | ||
| 59 | K | 83.5 | Confident | 92.4 | Very high | 63 Ų | 63 | 47 Ų | 47 | 27% | 0.274 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -84 | 164.9 | 179.6 | -71.7 | 176.7 | 170.3 | 172.3 | 0 | 111 | R61 K62 L89 R90 V91 D95 D201 | K59-R61 PolarHBondContact O-N 3.1Å; K59-K62 PolarHBondContact O-N 3.1Å; K59-L89 PolarHBondContact N-O 3.34Å; K59-R90 HydrophobicContact CB-CB 4.32Å; K59-V91 HydrophobicContact CB-CG1 4.45Å; K59-V91 HydrophobicContact CD-CG1 4.36Å; K59-V91 HydrophobicContact CG-CG1 4.05Å; K59-D95 WeakPolarHBondContact CE-OD2 3.15Å; K59-D95 IonicContact NZ-OD1 2.85Å; K59-D95 PolarHBondContact NZ-OD1 2.91Å; K59-D95 IonicContact NZ-OD2 3.56Å; K59-D95 PolarHBondContact NZ-OD2 3.16Å; K59-D201 WeakPolarHBondContact CD-OD2 3.35Å; K59-D201 WeakPolarHBondContact CE-OD2 3.24Å; K59-D201 IonicContact NZ-OD2 3.49Å |
| 60 | K | 75.4 | Confident | 92.5 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 32.7 | -177.8 | -55.7 | -173.9 | -177.2 | -176.5 | 0 | 112.3 | K62 L195 E197 | K60-K62 PolarHBondContact O-N 3.23Å; K60-L195 PolarHBondContact NZ-O 2.66Å; K60-E197 WeakPolarHBondContact CE-O 3.35Å; K60-E197 PolarHBondContact NZ-O 2.79Å |
| 61 | R | 76.4 | Confident | 92.5 | Very high | 90 Ų | 90 | 33.2 Ų | 33.2 | 34% | 0.34 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 19.3 | 179.5 | -57.1 | 173.9 | -173.4 | -135.2 | -12.4 | 115.1 | K59 E63 E218 E258 | K59-R61 PolarHBondContact O-N 3.1Å; R61-E63 PolarHBondContact O-N 2.83Å; R61-E218 IonicContact CZ-OE1 3.24Å; R61-E218 IonicContact NH1-OE1 3.43Å; R61-E218 PolarHBondContact NH1-OE1 3.18Å; R61-E218 IonicContact NH2-OE1 3.97Å; R61-E218 PolarHBondContact NH2-OE1 3.11Å; R61-E218 IonicContact NH2-OE2 3.61Å; R61-E218 PolarHBondContact NH2-OE2 2.93Å; R61-E218 VanDerWaalsContact NH2-OE2 3.11Å; R61-E258 WeakPolarHBondContact CD-O 3.29Å; R61-E258 IonicContact CZ-OE2 3.61Å; R61-E258 PolarHBondContact NE-O 3.08Å; R61-E258 IonicContact NE-OE2 3.59Å; R61-E258 PolarHBondContact NE-OE2 2.93Å; R61-E258 VanDerWaalsContact NE-OE2 3.07Å; R61-E258 PolarHBondContact NH1-O 2.85Å; R61-E258 PolarHBondContact NH2-O 2.96Å; R61-E258 IonicContact NH2-OE2 2.73Å |
| 62 | K | 87.8 | Confident | 92.5 | Very high | 81 Ų | 81 | 40.1 Ų | 40.1 | 35% | 0.352 | 19% | 0.193 | S | C | . | . | trans | -70.8 | 133.2 | 172.3 | -64.3 | -60.3 | -175.8 | 179.6 | 0 | 109.6 | G58 K59 K60 N88 L89 R90 | G58-K62 PolarHBondContact N-O 2.98Å; K59-K62 PolarHBondContact O-N 3.1Å; K60-K62 PolarHBondContact O-N 3.23Å; K62-N88 WeakPolarHBondContact CB-O 3.47Å; K62-N88 WeakPolarHBondContact CG-O 3.38Å; K62-L89 WeakPolarHBondContact O-CD2 3.28Å; K62-R90 HydrophobicContact CB-CG 4.3Å; K62-R90 HydrophobicContact CG-CG 3.65Å | ||
| 63 | E | 94.5 | Very high | 92.3 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.7 | 175.3 | 70.5 | -175 | 174.2 | 0 | 0 | 109.4 | L55 V56 K57 R61 H144 | L55-E63 HydrophobicContact CD1-CB 4.37Å; L55-E63 HydrophobicContact CD1-CG 4.29Å; V56-E63 CarbonylContact O-C 3.55Å; V56-E63 WeakPolarHBondContact O-CA 3.45Å; V56-E63 WeakPolarHBondContact O-CB 3.5Å; K57-E63 WeakPolarHBondContact CE-OE2 3.39Å; K57-E63 HydrophobicContact CG-CB 3.9Å; K57-E63 IonicContact NZ-OE2 3.66Å; R61-E63 PolarHBondContact O-N 2.83Å; E63-H144 IonicContact OE1-NE2 3.79Å |
| 64 | T | 97.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 168.5 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 109 | V56 I85 L89 D147 | V56-T64 PolarHBondContact N-O 3.24Å; V56-T64 PolarHBondContact O-N 3.45Å; T64-I85 HydrophobicContact CG2-CG2 4.12Å; T64-L89 HydrophobicContact CG2-CD1 4.22Å; T64-L89 HydrophobicContact CG2-CD2 3.87Å; T64-L89 HydrophobicContact CG2-CG 3.93Å; T64-D147 WeakPolarHBondContact CB-OD1 3.44Å; T64-D147 VanDerWaalsContact OG1-CG 3.25Å; T64-D147 PolarHBondContact OG1-OD1 3.15Å; T64-D147 PolarHBondContact OG1-OD2 3.09Å |
| 65 | V | 97.8 | Very high | 92 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.5 | 177.7 | -73.5 | 0 | 0 | 0 | 0 | 109.7 | V54 L55 L102 I105 P142 V143 H144 Y170 | V54-V65 WeakPolarHBondContact O-CA 3.35Å; L55-V65 HydrophobicContact CD1-CG1 3.78Å; V65-L102 HydrophobicContact CG1-CD2 3.57Å; V65-I105 HydrophobicContact CB-CD1 4.25Å; V65-I105 HydrophobicContact CG1-CD1 4.28Å; V65-I105 HydrophobicContact CG2-CD1 4.27Å; V65-P142 HydrophobicContact CB-CB 4.03Å; V65-P142 HydrophobicContact CG2-CB 3.68Å; V65-V143 VanDerWaalsContact CG2-C 3.49Å; V65-H144 HydrophobicContact CG2-CB 4.24Å; V65-Y170 HydrophobicContact CG1-CD1 3.94Å; V65-Y170 HydrophobicContact CG1-CD2 4.15Å; V65-Y170 HydrophobicContact CG1-CG 3.71Å; V65-Y170 HydrophobicContact CG2-CG 4.47Å |
| 66 | C | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 166.6 | -177.9 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | S34 V36 T53 V54 | S34-C66 CarbonylContact O-C 3.45Å; S34-C66 WeakPolarHBondContact O-CA 3.42Å; V36-C66 HydrophobicContact CB-CB 4.48Å; V36-C66 HydrophobicContact CG1-CB 3.61Å; V36-C66 HydrophobicContact CG2-CB 4.24Å; T53-C66 CarbonylContact C-O 3.58Å; T53-C66 VanDerWaalsContact CA-O 3.28Å; T53-C66 WeakPolarHBondContact CA-O 3.23Å; V54-C66 HydrophobicContact CG2-CB 4.1Å; V54-C66 WeakPolarHBondContact CG2-O 3.42Å; V54-C66 PolarHBondContact N-O 2.73Å; V54-C66 PolarHBondContact O-N 2.97Å |
| 67 | V | 96.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.7 | 168.1 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | S34 V35 V36 T53 I69 P142 | S34-V67 PolarHBondContact O-N 3.35Å; V35-V67 CarbonylContact C-O 3.55Å; V35-V67 WeakPolarHBondContact CA-O 3.16Å; V35-V67 HydrophobicContact CG2-CB 4.45Å; V36-V67 PolarHBondContact N-O 2.91Å; T53-V67 HydrophobicContact CG2-CG2 4.38Å; V67-I69 HydrophobicContact CG1-CG1 4.26Å; V67-P142 HydrophobicContact CG2-CG 3.84Å |
| 68 | A | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V36 L38 M43 L48 G51 D52 V54 | V36-A68 HydrophobicContact CG2-CB 4.32Å; L38-A68 HydrophobicContact CD1-CB 4.36Å; M43-A68 HydrophobicContact CE-CB 3.89Å; M43-A68 HydrophobicContact SD-CB 3.73Å; L48-A68 HydrophobicContact CD1-CB 4.34Å; G51-A68 PolarHBondContact N-O 2.55Å; D52-A68 PolarHBondContact O-N 2.87Å; V54-A68 HydrophobicContact CG1-CB 3.92Å; V54-A68 HydrophobicContact CG2-CB 4.34Å |
| 69 | I | 95.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.2 | 175.7 | -61.5 | -172.5 | 0 | 0 | 0 | 109.3 | V35 V36 Y37 L38 V67 | V35-I69 HydrophobicContact CB-CD1 4.44Å; V35-I69 HydrophobicContact CG1-CB 3.92Å; V35-I69 HydrophobicContact CG1-CD1 3.57Å; V35-I69 HydrophobicContact CG1-CG1 3.69Å; V35-I69 HydrophobicContact CG2-CD1 3.93Å; V36-I69 PolarHBondContact O-N 3.47Å; Y37-I69 VanDerWaalsContact CA-O 3.32Å; Y37-I69 WeakPolarHBondContact CA-O 3.35Å; Y37-I69 HydrophobicContact CD1-CB 4.13Å; Y37-I69 HydrophobicContact CD1-CG2 4.18Å; Y37-I69 HydrophobicContact CE1-CB 4.23Å; Y37-I69 HydrophobicContact CE1-CG2 4.16Å; L38-I69 PolarHBondContact N-O 2.93Å; V67-I69 HydrophobicContact CG1-CG1 4.26Å |
| 70 | V | 94.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.4 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L38 Q40 M43 | L38-V70 CarbonylContact O-C 3.49Å; L38-V70 WeakPolarHBondContact O-CA 3.46Å; Q40-V70 HydrophobicContact CB-CG1 4.02Å; Q40-V70 VanDerWaalsContact OE1-CG2 3.28Å; M43-V70 HydrophobicContact CE-CG2 4.37Å; M43-V70 HydrophobicContact CG-CG2 4.01Å |
| 71 | D | 93 | Very high | 93.7 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | trans | -130.7 | 109.4 | 166.3 | 177.8 | -2.2 | 0 | 0 | 0 | 108.7 | Y37 L38 S73 C74 R80 | Y37-D71 HydrophobicContact CD1-CB 4.11Å; Y37-D71 HydrophobicContact CG-CB 4.29Å; L38-D71 PolarHBondContact O-N 3.45Å; D71-S73 PolarHBondContact O-N 3.06Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 PolarHBondContact OD1-N 2.94Å; D71-S73 PolarHBondContact OD1-OG 2.77Å; D71-C74 HydrophobicContact CB-CB 4.1Å; D71-C74 VanDerWaalsContact O-CB 3.32Å; D71-C74 WeakPolarHBondContact O-CB 3.09Å; D71-C74 PolarHBondContact O-N 2.9Å; D71-R80 IonicContact OD1-NH1 3.91Å; D71-R80 IonicContact OD2-CZ 2.93Å; D71-R80 IonicContact OD2-NH1 3.8Å; D71-R80 PolarHBondContact OD2-NH1 2.86Å | ||
| 72 | E | 89.7 | Confident | 94.4 | Very high | 185 Ų | 185 | 40.4 Ų | 40.4 | 86% | 0.864 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21 | -177.5 | -63.7 | -176.3 | 174 | 0 | 0 | 113.1 | ||
| 73 | S | 91.9 | Very high | 94.3 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -2.1 | 178.3 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | D71 R80 | D71-S73 PolarHBondContact O-N 3.06Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 PolarHBondContact OD1-N 2.94Å; D71-S73 PolarHBondContact OD1-OG 2.77Å; S73-R80 PolarHBondContact O-NH2 2.89Å; S73-R80 PolarHBondContact OG-NH1 2.93Å |
| 74 | C | 92.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -83.5 | 127 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | S39 D71 | S39-C74 WeakPolarHBondContact CB-O 3.33Å; D71-C74 HydrophobicContact CB-CB 4.1Å; D71-C74 VanDerWaalsContact O-CB 3.32Å; D71-C74 WeakPolarHBondContact O-CB 3.09Å; D71-C74 PolarHBondContact O-N 2.9Å |
| 75 | P | 94.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | trans | -64.1 | 151.4 | 174.2 | -24.2 | 35.4 | 0 | 0 | 0 | 113.5 | D77 K78 | P75-D77 VanDerWaalsContact C-N 3.26Å; P75-D77 WeakPolarHBondContact CB-OD1 3.39Å; P75-D77 PolarHBondContact O-N 2.99Å; P75-K78 HydrophobicContact CB-CB 4.32Å; P75-K78 HydrophobicContact CB-CD 4.22Å; P75-K78 HydrophobicContact CB-CG 4.08Å; P75-K78 HydrophobicContact CG-CD 3.95Å; P75-K78 HydrophobicContact CG-CG 4.34Å; P75-K78 PolarHBondContact O-N 2.83Å | ||
| 76 | D | 94.4 | Very high | 93.8 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.6 | -174.6 | -68.2 | -14.7 | 0 | 0 | 0 | 114.9 | S39 K42 | S39-D76 WeakPolarHBondContact CB-OD1 3.32Å; S39-D76 PolarHBondContact OG-OD1 3.13Å; K42-D76 WeakPolarHBondContact CE-O 3.39Å; K42-D76 PolarHBondContact NZ-O 3.03Å |
| 77 | D | 94.2 | Very high | 93.4 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 1.1 | 178.4 | 66 | -39.3 | 0 | 0 | 0 | 113 | L23 I24 P75 | L23-D77 WeakPolarHBondContact CA-O 3.27Å; I24-D77 PolarHBondContact N-O 3.5Å; P75-D77 VanDerWaalsContact C-N 3.26Å; P75-D77 WeakPolarHBondContact CB-OD1 3.39Å; P75-D77 PolarHBondContact O-N 2.99Å |
| 78 | K | 96.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 163.4 | -173.5 | -63.6 | -163.9 | 179.1 | -176.5 | 0 | 113.7 | I24 D26 P75 | I24-K78 HydrophobicContact CB-CG 4.26Å; I24-K78 CarbonylContact O-C 3.54Å; I24-K78 WeakPolarHBondContact O-CA 3.4Å; I24-K78 WeakPolarHBondContact O-CB 3.48Å; D26-K78 HydrophobicContact CB-CB 4.5Å; D26-K78 HydrophobicContact CB-CD 3.99Å; D26-K78 WeakPolarHBondContact OD2-CD 3.48Å; D26-K78 IonicContact OD2-NZ 3.66Å; D26-K78 PolarHBondContact OD2-NZ 3.09Å; P75-K78 HydrophobicContact CB-CB 4.32Å; P75-K78 HydrophobicContact CB-CD 4.22Å; P75-K78 HydrophobicContact CB-CG 4.08Å; P75-K78 HydrophobicContact CG-CD 3.95Å; P75-K78 HydrophobicContact CG-CG 4.34Å; P75-K78 PolarHBondContact O-N 2.83Å |
| 79 | I | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.9 | 170.4 | -175.7 | 171.7 | 0 | 0 | 0 | 109 | L23 I24 V25 D26 V36 L38 L81 I97 I99 | L23-I79 HydrophobicContact CB-CB 4.02Å; L23-I79 HydrophobicContact CB-CG2 3.78Å; L23-I79 HydrophobicContact CD1-CB 3.88Å; L23-I79 HydrophobicContact CD1-CG2 4.47Å; I24-I79 PolarHBondContact O-N 3.21Å; V25-I79 CarbonylContact C-O 3.49Å; V25-I79 HydrophobicContact CG2-CG2 4.44Å; D26-I79 PolarHBondContact N-O 2.84Å; V36-I79 HydrophobicContact CB-CD1 4Å; V36-I79 HydrophobicContact CB-CG1 4.18Å; V36-I79 HydrophobicContact CG1-CD1 4.3Å; V36-I79 HydrophobicContact CG2-CD1 4.19Å; L38-I79 HydrophobicContact CD2-CB 3.83Å; L38-I79 HydrophobicContact CD2-CD1 4.02Å; L38-I79 HydrophobicContact CD2-CG1 3.67Å; I79-L81 HydrophobicContact CD1-CD2 3.73Å; I79-L81 HydrophobicContact CG1-CD2 3.73Å; I79-L81 HydrophobicContact CG1-CG 4.25Å; I79-L81 HydrophobicContact CG2-CD1 4.49Å; I79-L81 HydrophobicContact CG2-CG 4.34Å; I79-I97 HydrophobicContact CD1-CD1 4.1Å; I79-I97 HydrophobicContact CG2-CD1 3.86Å; I79-I97 HydrophobicContact CG2-CG1 3.64Å; I79-I99 HydrophobicContact CD1-CD1 3.6Å |
| 80 | R | 96 | Very high | 92.7 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 122.8 | 178.6 | -73 | 176.3 | 170.6 | 167.7 | 3.7 | 111.2 | D26 E27 P28 Y37 D71 S73 | D26-R80 HydrophobicContact CB-CG 3.96Å; D26-R80 WeakPolarHBondContact O-CA 3.12Å; E27-R80 VanDerWaalsContact O-CD 3.31Å; E27-R80 WeakPolarHBondContact O-CD 3.32Å; E27-R80 VanDerWaalsContact O-CG 3.3Å; E27-R80 WeakPolarHBondContact O-CG 3.38Å; E27-R80 PolarHBondContact O-NE 2.67Å; P28-R80 HydrophobicContact CB-CB 4.08Å; Y37-R80 HydrophobicContact CD2-CB 4.38Å; Y37-R80 PolarHBondContact N-O 2.76Å; Y37-R80 PolarHBondContact O-N 2.64Å; D71-R80 IonicContact OD1-NH1 3.91Å; D71-R80 IonicContact OD2-CZ 2.93Å; D71-R80 IonicContact OD2-NH1 3.8Å; D71-R80 PolarHBondContact OD2-NH1 2.86Å; S73-R80 PolarHBondContact O-NH2 2.89Å; S73-R80 PolarHBondContact OG-NH1 2.93Å |
| 81 | L | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -127.5 | 126.3 | -173.7 | -56.3 | -177.4 | 0 | 0 | 0 | 110.8 | V25 D26 P28 V36 I79 I85 R86 L89 V91 | V25-L81 HydrophobicContact CG1-CB 4.37Å; V25-L81 HydrophobicContact CG1-CD1 4Å; V25-L81 HydrophobicContact CG1-CG 4.33Å; V25-L81 HydrophobicContact CG2-CD1 3.87Å; D26-L81 PolarHBondContact O-N 3.17Å; P28-L81 VanDerWaalsContact CD-O 3.29Å; P28-L81 WeakPolarHBondContact CD-O 3.32Å; V36-L81 HydrophobicContact CB-CD2 3.89Å; V36-L81 HydrophobicContact CG1-CD2 3.25Å; I79-L81 HydrophobicContact CD1-CD2 3.73Å; I79-L81 HydrophobicContact CG1-CD2 3.73Å; I79-L81 HydrophobicContact CG1-CG 4.25Å; I79-L81 HydrophobicContact CG2-CD1 4.49Å; I79-L81 HydrophobicContact CG2-CG 4.34Å; L81-I85 HydrophobicContact CB-CB 4.48Å; L81-I85 HydrophobicContact CB-CG2 4.3Å; L81-I85 HydrophobicContact CD1-CG2 4.34Å; L81-I85 HydrophobicContact CD2-CG2 3.98Å; L81-I85 HydrophobicContact CG-CG2 4.45Å; L81-R86 HydrophobicContact CB-CG 3.62Å; L81-R86 HydrophobicContact CD1-CG 4.37Å; L81-R86 PolarHBondContact O-NE 2.87Å; L81-L89 HydrophobicContact CD1-CD1 3.97Å; L81-V91 HydrophobicContact CD1-CG2 4.41Å | ||
| 82 | N | 91.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | trans | -67.4 | 169.4 | 176.9 | 89 | -23.7 | 0 | 0 | 0 | 112.2 | P28 D31 D32 N33 C84 I85 R86 | P28-N82 HydrophobicContact CG-CB 3.85Å; D31-N82 PolarHBondContact OD1-ND2 2.71Å; D32-N82 PolarHBondContact O-ND2 3.14Å; N33-N82 PolarHBondContact OD1-ND2 3.2Å; N82-C84 PolarHBondContact O-N 3.16Å; N82-C84 WeakPolarHBondContact OD1-CB 3.24Å; N82-C84 PolarHBondContact OD1-N 3.42Å; N82-I85 PolarHBondContact O-N 3.16Å; N82-I85 VanDerWaalsContact OD1-CG1 3.3Å; N82-I85 WeakPolarHBondContact OD1-CG1 3.26Å; N82-I85 PolarHBondContact OD1-N 3.32Å; N82-R86 WeakPolarHBondContact O-CB 3.45Å; N82-R86 WeakPolarHBondContact O-CG 3.26Å; N82-R86 PolarHBondContact O-N 3.35Å | ||
| 83 | R | 87.2 | Confident | 91.9 | Very high | 207 Ų | 207 | 45.8 Ų | 45.8 | 78% | 0.781 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.6 | -38.1 | -177.1 | -174.7 | 177.6 | -179.7 | 176.7 | -0.3 | 112 | S87 | R83-S87 WeakPolarHBondContact O-CB 3.47Å; R83-S87 PolarHBondContact O-N 2.84Å |
| 84 | C | 91.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -55.3 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | N33 N82 R86 S87 N88 I148 F149 | N33-C84 HydrophobicContact CB-CB 4.12Å; N33-C84 WeakPolarHBondContact OD1-CB 3.08Å; N82-C84 PolarHBondContact O-N 3.16Å; N82-C84 WeakPolarHBondContact OD1-CB 3.24Å; N82-C84 PolarHBondContact OD1-N 3.42Å; C84-R86 PolarHBondContact O-N 2.86Å; C84-S87 WeakPolarHBondContact O-CB 3.3Å; C84-S87 PolarHBondContact O-N 2.96Å; C84-N88 PolarHBondContact O-N 3.48Å; C84-I148 PolarHBondContact SG-O 3.01Å; C84-F149 VanDerWaalsContact SG-CA 3.53Å |
| 85 | I | 94.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | -178.8 | -63.8 | 163.8 | 0 | 0 | 0 | 110.8 | N33 V35 V36 T64 L81 N82 S87 N88 L89 | N33-I85 WeakPolarHBondContact O-CG1 3.38Å; V35-I85 VanDerWaalsContact O-CD1 3.28Å; V35-I85 WeakPolarHBondContact O-CD1 3.5Å; V36-I85 HydrophobicContact CG1-CD1 4.16Å; T64-I85 HydrophobicContact CG2-CG2 4.12Å; L81-I85 HydrophobicContact CB-CB 4.48Å; L81-I85 HydrophobicContact CB-CG2 4.3Å; L81-I85 HydrophobicContact CD1-CG2 4.34Å; L81-I85 HydrophobicContact CD2-CG2 3.98Å; L81-I85 HydrophobicContact CG-CG2 4.45Å; N82-I85 PolarHBondContact O-N 3.16Å; N82-I85 VanDerWaalsContact OD1-CG1 3.3Å; N82-I85 WeakPolarHBondContact OD1-CG1 3.26Å; N82-I85 PolarHBondContact OD1-N 3.32Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.27Å; I85-N88 PolarHBondContact O-N 2.95Å; I85-L89 HydrophobicContact CG2-CD1 3.69Å; I85-L89 HydrophobicContact CG2-CG 4.33Å; I85-L89 WeakPolarHBondContact O-CB 3.36Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.47Å |
| 86 | R | 92 | Very high | 91.3 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 175.4 | -75 | -165.9 | -74 | 144.3 | -21.5 | 112.5 | V25 E27 L81 N82 C84 L89 R90 V91 P93 | V25-R86 HydrophobicContact CG1-CG 4.02Å; E27-R86 IonicContact OE1-CZ 3.48Å; E27-R86 IonicContact OE1-NH1 3.16Å; E27-R86 IonicContact OE1-NH2 2.87Å; E27-R86 PolarHBondContact OE1-NH2 3.31Å; L81-R86 HydrophobicContact CB-CG 3.62Å; L81-R86 HydrophobicContact CD1-CG 4.37Å; L81-R86 PolarHBondContact O-NE 2.87Å; N82-R86 WeakPolarHBondContact O-CB 3.45Å; N82-R86 WeakPolarHBondContact O-CG 3.26Å; N82-R86 PolarHBondContact O-N 3.35Å; C84-R86 PolarHBondContact O-N 2.86Å; R86-L89 CarbonylContact O-C 3.5Å; R86-L89 PolarHBondContact O-N 2.98Å; R86-R90 PolarHBondContact O-N 3.4Å; R86-V91 HydrophobicContact CB-CG2 4.24Å; R86-V91 WeakPolarHBondContact CB-O 3.37Å; R86-V91 HydrophobicContact CG-CG2 4.18Å; R86-V91 PolarHBondContact O-N 2.75Å; R86-P93 VanDerWaalsContact NH1-CD 3.25Å |
| 87 | S | 88.6 | Confident | 91.3 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -52.4 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | R83 C84 I85 L89 R90 | R83-S87 WeakPolarHBondContact O-CB 3.47Å; R83-S87 PolarHBondContact O-N 2.84Å; C84-S87 WeakPolarHBondContact O-CB 3.3Å; C84-S87 PolarHBondContact O-N 2.96Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.27Å; S87-L89 VanDerWaalsContact C-N 3.28Å; S87-L89 PolarHBondContact O-N 3.23Å; S87-R90 WeakPolarHBondContact O-CD 2.73Å; S87-R90 PolarHBondContact O-N 2.89Å; S87-R90 PolarHBondContact O-NH1 2.98Å |
| 88 | N | 93.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 179.2 | -69.9 | -24 | 0 | 0 | 0 | 112 | K62 C84 I85 R90 I148 | K62-N88 WeakPolarHBondContact CB-O 3.47Å; K62-N88 WeakPolarHBondContact CG-O 3.38Å; C84-N88 PolarHBondContact O-N 3.48Å; I85-N88 PolarHBondContact O-N 2.95Å; N88-R90 VanDerWaalsContact C-N 3.33Å; N88-R90 PolarHBondContact O-N 2.9Å; N88-I148 PolarHBondContact ND2-O 3.47Å; N88-I148 PolarHBondContact OD1-N 3.09Å; N88-I148 PolarHBondContact OD1-O 2.81Å |
| 89 | L | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.4 | -6.8 | 178.7 | -68.4 | 176.5 | 0 | 0 | 0 | 114.9 | V56 G58 K59 K62 T64 L81 I85 R86 S87 V91 | V56-L89 HydrophobicContact CB-CD1 4.02Å; V56-L89 HydrophobicContact CB-CD2 4.46Å; V56-L89 HydrophobicContact CG1-CD1 3.46Å; V56-L89 VanDerWaalsContact CG1-CD1 3.46Å; V56-L89 HydrophobicContact CG1-CD2 4.44Å; V56-L89 WeakPolarHBondContact O-CD2 3.33Å; G58-L89 CarbonylContact C-O 3.54Å; G58-L89 WeakPolarHBondContact CA-O 3.22Å; K59-L89 PolarHBondContact N-O 3.34Å; K62-L89 WeakPolarHBondContact O-CD2 3.28Å; T64-L89 HydrophobicContact CG2-CD1 4.22Å; T64-L89 HydrophobicContact CG2-CD2 3.87Å; T64-L89 HydrophobicContact CG2-CG 3.93Å; L81-L89 HydrophobicContact CD1-CD1 3.97Å; I85-L89 HydrophobicContact CG2-CD1 3.69Å; I85-L89 HydrophobicContact CG2-CG 4.33Å; I85-L89 WeakPolarHBondContact O-CB 3.36Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.47Å; R86-L89 CarbonylContact O-C 3.5Å; R86-L89 PolarHBondContact O-N 2.98Å; S87-L89 VanDerWaalsContact C-N 3.28Å; S87-L89 PolarHBondContact O-N 3.23Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 HydrophobicContact CB-CG1 4.48Å; L89-V91 HydrophobicContact CB-CG2 3.8Å; L89-V91 PolarHBondContact O-N 2.96Å |
| 90 | R | 86.4 | Confident | 91.1 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 40.6 | -178.7 | -48.7 | -67.5 | -174.5 | -124.8 | 11.4 | 113.2 | K59 K62 R86 S87 N88 L195 | K59-R90 HydrophobicContact CB-CB 4.32Å; K62-R90 HydrophobicContact CB-CG 4.3Å; K62-R90 HydrophobicContact CG-CG 3.65Å; R86-R90 PolarHBondContact O-N 3.4Å; S87-R90 WeakPolarHBondContact O-CD 2.73Å; S87-R90 PolarHBondContact O-N 2.89Å; S87-R90 PolarHBondContact O-NH1 2.98Å; N88-R90 VanDerWaalsContact C-N 3.33Å; N88-R90 PolarHBondContact O-N 2.9Å; R90-L195 VanDerWaalsContact NE-CD2 3.34Å |
| 91 | V | 89 | Confident | 91.1 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | trans | -122.6 | 152.4 | -175.9 | -68 | 0 | 0 | 0 | 0 | 112.4 | V25 K59 L81 R86 L89 D95 I97 | V25-V91 HydrophobicContact CG2-CB 4.38Å; V25-V91 HydrophobicContact CG2-CG2 4.1Å; K59-V91 HydrophobicContact CB-CG1 4.45Å; K59-V91 HydrophobicContact CD-CG1 4.36Å; K59-V91 HydrophobicContact CG-CG1 4.05Å; L81-V91 HydrophobicContact CD1-CG2 4.41Å; R86-V91 HydrophobicContact CB-CG2 4.24Å; R86-V91 WeakPolarHBondContact CB-O 3.37Å; R86-V91 HydrophobicContact CG-CG2 4.18Å; R86-V91 PolarHBondContact O-N 2.75Å; L89-V91 VanDerWaalsContact C-N 3.35Å; L89-V91 HydrophobicContact CB-CG1 4.48Å; L89-V91 HydrophobicContact CB-CG2 3.8Å; L89-V91 PolarHBondContact O-N 2.96Å; V91-D95 WeakPolarHBondContact CA-OD2 3.38Å; V91-D95 HydrophobicContact CB-CB 4.02Å; V91-D95 HydrophobicContact CG1-CB 4.21Å; V91-I97 HydrophobicContact CB-CG2 4.35Å; V91-I97 HydrophobicContact CG1-CG2 3.78Å; V91-I97 HydrophobicContact CG2-CG2 4.15Å | ||
| 92 | K | 85.6 | Confident | 91 | Very high | 127 Ų | 127 | 42 Ų | 42 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | trans | -111 | 163.2 | 173.9 | -64.2 | -176.4 | -179.1 | -177.1 | 0 | 110.5 | G94 D95 | K92-G94 PolarHBondContact O-N 3.05Å; K92-D95 PolarHBondContact N-OD2 3.04Å; K92-D95 VanDerWaalsContact O-CB 3.28Å; K92-D95 WeakPolarHBondContact O-CB 3.24Å; K92-D95 PolarHBondContact O-N 2.67Å | ||
| 93 | P | 86.3 | Confident | 91 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 136.3 | 171.1 | -20.1 | 35.5 | 0 | 0 | 0 | 109.5 | V25 E27 R86 | V25-P93 CarbonylContact O-C 3.47Å; V25-P93 WeakPolarHBondContact O-CA 3.33Å; E27-P93 HydrophobicContact CG-CB 4.41Å; E27-P93 HydrophobicContact CG-CG 3.94Å; R86-P93 VanDerWaalsContact NH1-CD 3.25Å |
| 94 | G | 85.2 | Confident | 91.1 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 54% | 0.536 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -17 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V25 K92 | V25-G94 PolarHBondContact O-N 3.2Å; K92-G94 PolarHBondContact O-N 3.05Å |
| 95 | D | 89 | Confident | 91.2 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | trans | -69.2 | 156.5 | 173.6 | -76.1 | -27.9 | 0 | 0 | 0 | 111.6 | I24 V25 K59 V91 K92 | I24-D95 WeakPolarHBondContact CA-O 3.27Å; V25-D95 WeakPolarHBondContact CG2-O 3.37Å; V25-D95 PolarHBondContact N-O 3.29Å; K59-D95 WeakPolarHBondContact CE-OD2 3.15Å; K59-D95 IonicContact NZ-OD1 2.85Å; K59-D95 PolarHBondContact NZ-OD1 2.91Å; K59-D95 IonicContact NZ-OD2 3.56Å; K59-D95 PolarHBondContact NZ-OD2 3.16Å; V91-D95 WeakPolarHBondContact CA-OD2 3.38Å; V91-D95 HydrophobicContact CB-CB 4.02Å; V91-D95 HydrophobicContact CG1-CB 4.21Å; K92-D95 PolarHBondContact N-OD2 3.04Å; K92-D95 VanDerWaalsContact O-CB 3.28Å; K92-D95 WeakPolarHBondContact O-CB 3.24Å; K92-D95 PolarHBondContact O-N 2.67Å | ||
| 96 | I | 91.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 54% | 0.544 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.1 | 175.8 | -60.4 | 172.6 | 0 | 0 | 0 | 109.5 | R22 L23 I24 | R22-I96 HydrophobicContact CB-CG2 3.9Å; R22-I96 HydrophobicContact CG-CG2 4.19Å; L23-I96 WeakPolarHBondContact O-CA 3.45Å; I24-I96 HydrophobicContact CG1-CG1 4.42Å |
| 97 | I | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 166.5 | 170.2 | 63.2 | 74.7 | 0 | 0 | 0 | 111.3 | R22 L23 V25 V56 K57 I79 V91 I99 | R22-I97 VanDerWaalsContact CA-O 3.3Å; R22-I97 WeakPolarHBondContact CA-O 3.47Å; L23-I97 HydrophobicContact CB-CD1 4.29Å; L23-I97 PolarHBondContact N-O 3.45Å; L23-I97 VanDerWaalsContact N-O 3.13Å; L23-I97 PolarHBondContact O-N 3.24Å; V25-I97 HydrophobicContact CG2-CB 4.32Å; V25-I97 HydrophobicContact CG2-CG1 4.03Å; V25-I97 HydrophobicContact CG2-CG2 3.49Å; V25-I97 VanDerWaalsContact CG2-CG2 3.49Å; V56-I97 HydrophobicContact CG1-CB 4.35Å; V56-I97 HydrophobicContact CG1-CD1 3.86Å; V56-I97 HydrophobicContact CG1-CG1 4.15Å; K57-I97 WeakPolarHBondContact O-CA 3.4Å; K57-I97 WeakPolarHBondContact O-CB 3.32Å; I79-I97 HydrophobicContact CD1-CD1 4.1Å; I79-I97 HydrophobicContact CG2-CD1 3.86Å; I79-I97 HydrophobicContact CG2-CG1 3.64Å; V91-I97 HydrophobicContact CB-CG2 4.35Å; V91-I97 HydrophobicContact CG1-CG2 3.78Å; V91-I97 HydrophobicContact CG2-CG2 4.15Å; I97-I99 HydrophobicContact CD1-CB 3.93Å; I97-I99 HydrophobicContact CD1-CG2 4.21Å |
| 98 | S | 94.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.2 | 170.9 | -64 | 0 | 0 | 0 | 0 | 110.4 | H21 V56 K57 | H21-S98 CarbonylContact O-C 3.58Å; H21-S98 VanDerWaalsContact O-CA 3.31Å; H21-S98 WeakPolarHBondContact O-CA 3.13Å; V56-S98 CarbonylContact C-O 3.59Å; K57-S98 PolarHBondContact N-O 3.34Å; K57-S98 PolarHBondContact O-N 2.89Å |
| 99 | I | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.6 | -179.3 | -175.1 | 167.7 | 0 | 0 | 0 | 111.1 | F20 H21 L23 V36 L38 M46 V54 L55 V56 I79 I97 | F20-I99 CarbonylContact C-O 3.47Å; F20-I99 WeakPolarHBondContact CA-O 3.47Å; H21-I99 HydrophobicContact CB-CG2 3.98Å; H21-I99 PolarHBondContact N-O 3.18Å; H21-I99 PolarHBondContact O-N 3.4Å; L23-I99 HydrophobicContact CD1-CG2 3.66Å; L23-I99 HydrophobicContact CG-CG2 4.18Å; V36-I99 HydrophobicContact CG2-CD1 4.32Å; L38-I99 HydrophobicContact CD1-CD1 4.12Å; M46-I99 HydrophobicContact CE-CB 4.45Å; M46-I99 HydrophobicContact CE-CG1 4.07Å; M46-I99 HydrophobicContact CE-CG2 3.83Å; M46-I99 HydrophobicContact SD-CG2 4.18Å; V54-I99 HydrophobicContact CB-CD1 3.9Å; V54-I99 HydrophobicContact CB-CG1 3.94Å; V54-I99 HydrophobicContact CG1-CD1 4.14Å; V54-I99 HydrophobicContact CG1-CG1 4.33Å; V54-I99 HydrophobicContact CG2-CD1 3.83Å; V54-I99 HydrophobicContact CG2-CG1 4.33Å; L55-I99 WeakPolarHBondContact O-CA 3.41Å; V56-I99 HydrophobicContact CG2-CD1 4.16Å; V56-I99 HydrophobicContact CG2-CG1 4.23Å; I79-I99 HydrophobicContact CD1-CD1 3.6Å; I97-I99 HydrophobicContact CD1-CB 3.93Å; I97-I99 HydrophobicContact CD1-CG2 4.21Å |
| 100 | K | 93.1 | Very high | 92.1 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 156.3 | 170.3 | 65.8 | 166 | -178.6 | 169.8 | 0 | 111.7 | V18 F20 V54 L55 | V18-K100 HydrophobicContact CG1-CB 4.18Å; V18-K100 HydrophobicContact CG1-CD 3.94Å; F20-K100 HydrophobicContact CD1-CB 3.98Å; F20-K100 HydrophobicContact CD1-CD 4.37Å; F20-K100 HydrophobicContact CD1-CG 4Å; F20-K100 HydrophobicContact CD2-CD 4.46Å; F20-K100 HydrophobicContact CE1-CB 4.07Å; F20-K100 HydrophobicContact CE1-CD 3.75Å; F20-K100 HydrophobicContact CE1-CG 3.55Å; F20-K100 HydrophobicContact CE2-CD 3.84Å; F20-K100 HydrophobicContact CE2-CG 4.49Å; F20-K100 HydrophobicContact CG-CB 4.38Å; F20-K100 HydrophobicContact CZ-CD 3.45Å; F20-K100 VanDerWaalsContact CZ-CD 3.45Å; F20-K100 HydrophobicContact CZ-CG 3.84Å; V54-K100 CarbonylContact C-O 3.38Å; V54-K100 VanDerWaalsContact CA-O 3.22Å; V54-K100 WeakPolarHBondContact CA-O 3.5Å; V54-K100 WeakPolarHBondContact CB-O 3.36Å; L55-K100 HydrophobicContact CB-CG 3.93Å; L55-K100 PolarHBondContact N-O 3.02Å; L55-K100 PolarHBondContact O-N 2.78Å |
| 101 | S | 94.6 | Very high | 92.6 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 143 | 167.7 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | L48 | L48-S101 WeakPolarHBondContact CD2-OG 3.31Å |
| 102 | L | 94.2 | Very high | 93 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | trans | -138.3 | 71.4 | 178.2 | -172.8 | 71.5 | 0 | 0 | 0 | 109.4 | T53 L55 V65 I105 Y170 | T53-L102 CarbonylContact O-C 3.55Å; T53-L102 WeakPolarHBondContact O-CA 3.3Å; T53-L102 PolarHBondContact O-N 3Å; T53-L102 PolarHBondContact OG1-O 3.2Å; L55-L102 HydrophobicContact CB-CB 4.46Å; L55-L102 HydrophobicContact CB-CD2 4.31Å; V65-L102 HydrophobicContact CG1-CD2 3.57Å; L102-I105 HydrophobicContact CD2-CB 4.27Å; L102-I105 HydrophobicContact CD2-CD1 4.23Å; L102-I105 HydrophobicContact CG-CB 4.37Å; L102-Y170 HydrophobicContact CD1-CE2 4.4Å; L102-Y170 HydrophobicContact CD2-CD2 4.13Å; L102-Y170 HydrophobicContact CD2-CE1 4.45Å; L102-Y170 HydrophobicContact CD2-CE2 3.69Å; L102-Y170 HydrophobicContact CG-CE2 4.44Å | ||
| 103 | P | 89.8 | Confident | 93.6 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -30.6 | -173.5 | 28.9 | -34.3 | 0 | 0 | 0 | 113.2 | I105 | P103-I105 PolarHBondContact O-N 3.4Š|
| 104 | D | 89.5 | Confident | 94.1 | Very high | 143 Ų | 143 | 55 Ų | 55 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 20.7 | -173.5 | -53.5 | -49.1 | 0 | 0 | 0 | 113.8 | L106 | D104-L106 PolarHBondContact O-N 2.92Š|
| 105 | I | 93.7 | Very high | 94.7 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 131.4 | 177.2 | -171 | 167.8 | 0 | 0 | 0 | 109.9 | T53 V65 L102 P103 P142 Y170 I172 | T53-I105 HydrophobicContact CG2-CG2 3.86Å; T53-I105 WeakPolarHBondContact OG1-CG2 3.39Å; V65-I105 HydrophobicContact CB-CD1 4.25Å; V65-I105 HydrophobicContact CG1-CD1 4.28Å; V65-I105 HydrophobicContact CG2-CD1 4.27Å; L102-I105 HydrophobicContact CD2-CB 4.27Å; L102-I105 HydrophobicContact CD2-CD1 4.23Å; L102-I105 HydrophobicContact CG-CB 4.37Å; P103-I105 PolarHBondContact O-N 3.4Å; I105-P142 HydrophobicContact CD1-CB 4.15Å; I105-Y170 HydrophobicContact CD1-CD2 3.75Å; I105-Y170 HydrophobicContact CD1-CE2 4.43Å; I105-Y170 HydrophobicContact CG1-CD2 3.8Å; I105-Y170 HydrophobicContact CG1-CE2 4.17Å; I105-I172 HydrophobicContact CD1-CG1 3.98Å; I105-I172 HydrophobicContact CG1-CG1 4.06Å; I105-I172 HydrophobicContact CG2-CD1 3.53Å; I105-I172 HydrophobicContact CG2-CG1 3.85Å |
| 106 | L | 95.9 | Very high | 95 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 58% | 0.576 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 151.3 | -178.1 | -61 | 178.2 | 0 | 0 | 0 | 111.2 | D104 P167 C171 I172 | D104-L106 PolarHBondContact O-N 2.92Å; L106-P167 HydrophobicContact CB-CG 3.83Å; L106-P167 HydrophobicContact CD1-CG 4.09Å; L106-P167 HydrophobicContact CG-CG 4.49Å; L106-C171 CarbonylContact O-C 3.58Å; L106-C171 WeakPolarHBondContact O-CA 3.34Å; L106-C171 WeakPolarHBondContact O-CB 3.28Å; L106-I172 PolarHBondContact O-N 2.74Å |
| 107 | Y | 96.4 | Very high | 95.1 | Very high | 141 Ų | 141 | 49.3 Ų | 49.3 | 55% | 0.553 | 24% | 0.244 | S | C | * | . | B | Isolated β-bridge | trans | -64.4 | 138 | 165.6 | -66.5 | -73.1 | 0 | 0 | 0 | 110.4 | Y140 I172 | Y107-Y140 HydrophobicContact CD1-CD1 4.46Å; Y107-Y140 AromaticContact CE1-CD1 3.75Å; Y107-Y140 HydrophobicContact CE1-CD1 3.75Å; Y107-Y140 AromaticContact CE1-CE1 3.92Å; Y107-Y140 HydrophobicContact CE1-CE1 3.92Å; Y107-I172 WeakPolarHBondContact CA-O 3.3Å; Y107-I172 HydrophobicContact CD1-CB 3.84Å; Y107-I172 HydrophobicContact CD1-CG2 3.82Å; Y107-I172 HydrophobicContact CE1-CB 4.18Å; Y107-I172 HydrophobicContact CE1-CD1 4.45Å; Y107-I172 HydrophobicContact CE1-CG2 3.82Å |
| 108 | G | 95.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 131.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D166 C171 I172 T177 | G108-D166 CarbonylContact C-O 3.58Å; G108-D166 VanDerWaalsContact CA-O 3.29Å; G108-D166 WeakPolarHBondContact CA-O 3.35Å; G108-C171 VanDerWaalsContact CA-SG 3.54Å; G108-I172 PolarHBondContact N-O 3.41Å; G108-T177 WeakPolarHBondContact O-CA 3.45Å; G108-T177 VanDerWaalsContact O-CB 3.3Å; G108-T177 WeakPolarHBondContact O-CB 3.49Å; G108-T177 WeakPolarHBondContact O-CG2 3.29Å; G108-T177 PolarHBondContact O-OG1 2.83Å |
| 109 | K | 96.7 | Very high | 94.8 | Very high | 144 Ų | 144 | 52.8 Ų | 52.8 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -72.6 | -45.8 | 165.8 | -64.4 | 175.8 | -175.4 | 167.1 | 0 | 109.9 | D166 T178 | K109-D166 PolarHBondContact N-O 3.49Å; K109-T178 PolarHBondContact O-N 2.94Å |
| 110 | R | 96.1 | Very high | 94.5 | Very high | 138 Ų | 138 | 54.3 Ų | 54.3 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 153.5 | 176.2 | 67.3 | -176.8 | 100.4 | -167.5 | 0.4 | 111.8 | D166 T178 | R110-D166 HydrophobicContact CG-CB 3.68Å; R110-D166 IonicContact NE-OD2 2.85Å; R110-D166 PolarHBondContact O-N 2.94Å; R110-T178 CarbonylContact C-O 3.55Å; R110-T178 WeakPolarHBondContact CA-O 3.37Å; R110-T178 WeakPolarHBondContact CB-O 3.46Å |
| 111 | I | 97.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152 | 167.2 | 61 | 167.2 | 0 | 0 | 0 | 109.4 | V113 F136 V143 E164 T165 V173 T177 T178 I179 H180 | I111-V113 HydrophobicContact CD1-CG1 3.94Å; I111-V113 HydrophobicContact CG1-CG1 4.49Å; I111-F136 HydrophobicContact CD1-CE2 4.2Å; I111-F136 HydrophobicContact CD1-CZ 4.09Å; I111-V143 HydrophobicContact CG2-CG2 4.14Å; I111-E164 WeakPolarHBondContact CA-O 3.45Å; I111-T165 HydrophobicContact CG2-CG2 4.1Å; I111-V173 HydrophobicContact CD1-CG1 4.16Å; I111-V173 HydrophobicContact CD1-CG2 3.71Å; I111-V173 HydrophobicContact CG2-CG2 4.34Å; I111-T177 HydrophobicContact CG1-CG2 4.34Å; I111-T177 HydrophobicContact CG2-CG2 4.25Å; I111-T178 PolarHBondContact N-O 2.73Å; I111-I179 HydrophobicContact CD1-CD1 4.28Å; I111-I179 HydrophobicContact CD1-CG1 4.1Å; I111-I179 HydrophobicContact CD1-CG2 4.19Å; I111-I179 HydrophobicContact CG1-CB 4.27Å; I111-I179 HydrophobicContact CG1-CG1 3.96Å; I111-I179 HydrophobicContact CG1-CG2 4.11Å; I111-H180 PolarHBondContact O-N 3.29Å |
| 112 | H | 97.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.1 | 170.6 | -178.6 | -151.6 | 0 | 0 | 0 | 108.8 | I163 E164 H180 E182 | H112-I163 HydrophobicContact CB-CB 4.28Å; H112-I163 PolarHBondContact O-N 3.4Å; H112-E164 HydrophobicContact CB-CB 4.05Å; H112-E164 PolarHBondContact N-O 3.07Å; H112-E164 PolarHBondContact O-N 3.41Å; H112-H180 WeakPolarHBondContact CA-O 3.4Å; H112-H180 HydrophobicContact CB-CB 4.37Å; H112-H180 PolarHBondContact CD2-O 3.44Å; H112-E182 PolarHBondContact CE1-O 2.81Å; H112-E182 PolarHBondContact NE2-O 3.48Å |
| 113 | V | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.4 | -178.4 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | I111 L132 F149 K161 V162 I179 H180 T181 | I111-V113 HydrophobicContact CD1-CG1 3.94Å; I111-V113 HydrophobicContact CG1-CG1 4.49Å; V113-L132 HydrophobicContact CG2-CD1 3.55Å; V113-L132 HydrophobicContact CG2-CD2 4.19Å; V113-F149 HydrophobicContact CG1-CE1 4.28Å; V113-F149 HydrophobicContact CG1-CZ 4.4Å; V113-K161 VanDerWaalsContact CA-O 3.26Å; V113-K161 WeakPolarHBondContact CA-O 3.26Å; V113-V162 HydrophobicContact CG1-CG2 4.17Å; V113-I179 HydrophobicContact CG2-CG2 3.57Å; V113-H180 PolarHBondContact N-O 2.92Å; V113-T181 HydrophobicContact CG2-CG2 4.05Å; V113-T181 WeakPolarHBondContact O-CA 3.42Å |
| 114 | L | 97.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.3 | 178.5 | -66.5 | 175.6 | 0 | 0 | 0 | 109.9 | F160 K161 I163 D184 V186 | L114-F160 CarbonylContact O-C 3.49Å; L114-F160 WeakPolarHBondContact O-CA 3.42Å; L114-K161 PolarHBondContact N-O 2.83Å; L114-K161 PolarHBondContact O-N 3.01Å; L114-I163 HydrophobicContact CB-CD1 4.29Å; L114-I163 HydrophobicContact CB-CG1 4.05Å; L114-I163 HydrophobicContact CD1-CD1 4.1Å; L114-I163 HydrophobicContact CD1-CG1 3.73Å; L114-I163 HydrophobicContact CG-CD1 4.4Å; L114-I163 HydrophobicContact CG-CG1 3.77Å; L114-D184 WeakPolarHBondContact CD1-O 3.36Å; L114-V186 HydrophobicContact CB-CG2 3.98Å |
| 115 | P | 96.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 154 | 176.4 | 30 | -34.6 | 0 | 0 | 0 | 111.4 | I120 L127 V158 E159 F160 P185 V186 | P115-I120 HydrophobicContact CB-CD1 4.25Å; P115-I120 HydrophobicContact CB-CG2 3.6Å; P115-I120 HydrophobicContact CG-CD1 3.85Å; P115-I120 HydrophobicContact CG-CG2 4.28Å; P115-L127 HydrophobicContact CB-CD1 4.1Å; P115-L127 HydrophobicContact CG-CD1 3.87Å; P115-V158 HydrophobicContact CB-CG1 4.25Å; P115-E159 CarbonylContact C-O 3.56Å; P115-E159 WeakPolarHBondContact CA-O 3.47Å; P115-F160 HydrophobicContact CB-CD1 4.1Å; P115-F160 HydrophobicContact CB-CE1 3.96Å; P115-P185 HydrophobicContact CG-CB 4.21Å; P115-P185 HydrophobicContact CG-CG 4.3Å; P115-P185 CarbonylContact O-C 3.6Å; P115-P185 WeakPolarHBondContact O-CA 3.17Å; P115-V186 PolarHBondContact O-N 2.92Å |
| 116 | I | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 127.7 | 163.3 | -50.4 | -56.5 | 0 | 0 | 0 | 108.1 | D118 T119 I148 E159 K161 V186 R188 | I116-D118 VanDerWaalsContact CG2-OD1 3.29Å; I116-D118 WeakPolarHBondContact CG2-OD1 3.36Å; I116-D118 PolarHBondContact O-N 2.79Å; I116-T119 HydrophobicContact CB-CG2 4.3Å; I116-T119 PolarHBondContact O-N 2.83Å; I116-T119 VanDerWaalsContact O-N 3.13Å; I116-T119 PolarHBondContact O-OG1 2.77Å; I116-I148 HydrophobicContact CD1-CD1 4.38Å; I116-I148 HydrophobicContact CG1-CG2 4.49Å; I116-E159 HydrophobicContact CB-CB 4.08Å; I116-E159 HydrophobicContact CG1-CB 3.57Å; I116-E159 PolarHBondContact N-O 2.96Å; I116-K161 HydrophobicContact CD1-CB 4.18Å; I116-V186 WeakPolarHBondContact CA-O 3.44Å; I116-V186 HydrophobicContact CD1-CB 3.94Å; I116-V186 HydrophobicContact CD1-CG1 4.09Å; I116-R188 HydrophobicContact CG2-CB 3.86Å |
| 117 | D | 93.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 59.3 Ų | 59.3 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -54.5 | -45 | -168.1 | 64.7 | -23 | 0 | 0 | 0 | 114.7 | T119 I120 P185 V186 R188 | D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 3.35Å; D117-I120 WeakPolarHBondContact O-CG1 3.3Å; D117-I120 PolarHBondContact O-N 2.84Å; D117-P185 HydrophobicContact CB-CB 3.77Å; D117-V186 PolarHBondContact N-O 2.78Å; D117-R188 PolarHBondContact OD1-N 3.19Å |
| 118 | D | 91.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -68.5 | -27.1 | -178.6 | 74.3 | -27.1 | 0 | 0 | 0 | 113.4 | I116 I120 V121 R188 | I116-D118 VanDerWaalsContact CG2-OD1 3.29Å; I116-D118 WeakPolarHBondContact CG2-OD1 3.36Å; I116-D118 PolarHBondContact O-N 2.79Å; D118-I120 VanDerWaalsContact C-N 3.27Å; D118-I120 PolarHBondContact O-N 2.9Å; D118-V121 WeakPolarHBondContact O-CG2 2.84Å; D118-R188 IonicContact OD1-CZ 2.71Å; D118-R188 IonicContact OD1-NE 2.95Å; D118-R188 PolarHBondContact OD1-NE 2.7Å; D118-R188 IonicContact OD1-NH2 2.77Å; D118-R188 PolarHBondContact OD1-NH2 3.37Å; D118-R188 WeakPolarHBondContact OD2-CD 3.38Å; D118-R188 IonicContact OD2-CZ 3.87Å; D118-R188 IonicContact OD2-NE 3.8Å; D118-R188 PolarHBondContact OD2-NE 3.05Å; D118-R188 IonicContact OD2-NH2 3.35Å; D118-R188 PolarHBondContact OD2-NH2 3.33Å |
| 119 | T | 91.9 | Very high | 91 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.172 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -78.1 | -12 | 179.5 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | I116 D117 E159 | I116-T119 HydrophobicContact CB-CG2 4.3Å; I116-T119 PolarHBondContact O-N 2.83Å; I116-T119 VanDerWaalsContact O-N 3.13Å; I116-T119 PolarHBondContact O-OG1 2.77Å; D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 3.35Å; T119-E159 HydrophobicContact CG2-CB 3.91Å; T119-E159 HydrophobicContact CG2-CG 4.02Å; T119-E159 PolarHBondContact OG1-N 3.25Å; T119-E159 VanDerWaalsContact OG1-N 3.17Å |
| 120 | I | 89.5 | Confident | 90.6 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -107.2 | 8.2 | 179 | 62.8 | 163.6 | 0 | 0 | 0 | 113.6 | P115 D117 D118 G122 L123 L127 V158 P185 | P115-I120 HydrophobicContact CB-CD1 4.25Å; P115-I120 HydrophobicContact CB-CG2 3.6Å; P115-I120 HydrophobicContact CG-CD1 3.85Å; P115-I120 HydrophobicContact CG-CG2 4.28Å; D117-I120 WeakPolarHBondContact O-CG1 3.3Å; D117-I120 PolarHBondContact O-N 2.84Å; D118-I120 VanDerWaalsContact C-N 3.27Å; D118-I120 PolarHBondContact O-N 2.9Å; I120-G122 PolarHBondContact O-N 3.34Å; I120-L123 HydrophobicContact CB-CB 4.46Å; I120-L123 HydrophobicContact CB-CD1 4.4Å; I120-L123 HydrophobicContact CG2-CD1 4.28Å; I120-L123 WeakPolarHBondContact O-CB 3.31Å; I120-L123 PolarHBondContact O-N 3.13Å; I120-L127 HydrophobicContact CG2-CD1 3.86Å; I120-L127 HydrophobicContact CG2-CD2 4.43Å; I120-V158 HydrophobicContact CG2-CG1 3.59Å; I120-V158 HydrophobicContact CG2-CG2 4.41Å; I120-P185 HydrophobicContact CD1-CB 4.08Å; I120-P185 HydrophobicContact CD1-CG 3.65Å |
| 121 | V | 86.1 | Confident | 90.4 | Very high | 110 Ų | 110 | 50 Ų | 50 | 67% | 0.667 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.3 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | D118 L123 R156 | D118-V121 WeakPolarHBondContact O-CG2 2.84Å; V121-L123 PolarHBondContact O-N 2.86Å; V121-R156 PolarHBondContact O-NH1 3.08Å |
| 122 | G | 83.2 | Confident | 90.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 10.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I120 | I120-G122 PolarHBondContact O-N 3.34Š|
| 123 | L | 83.2 | Confident | 89.9 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | trans | -87.2 | 135.2 | 164.4 | -73.4 | -179.4 | 0 | 0 | 0 | 109.6 | I120 V121 L127 F131 R156 V158 | I120-L123 HydrophobicContact CB-CB 4.46Å; I120-L123 HydrophobicContact CB-CD1 4.4Å; I120-L123 HydrophobicContact CG2-CD1 4.28Å; I120-L123 WeakPolarHBondContact O-CB 3.31Å; I120-L123 PolarHBondContact O-N 3.13Å; V121-L123 PolarHBondContact O-N 2.86Å; L123-L127 HydrophobicContact CB-CD2 4.45Å; L123-L127 HydrophobicContact CD1-CD2 4.13Å; L123-F131 HydrophobicContact CD1-CE2 4.08Å; L123-F131 HydrophobicContact CD1-CZ 4.09Å; L123-R156 VanDerWaalsContact CD2-CD 3.44Å; L123-R156 VanDerWaalsContact CG-NH1 3.35Å; L123-V158 HydrophobicContact CD1-CG2 3.43Å; L123-V158 VanDerWaalsContact CD1-CG2 3.43Å | ||
| 124 | T | 78.5 | Confident | 89.6 | Confident | 141 Ų | 141 | 54.5 Ų | 54.5 | 87% | 0.865 | 33% | 0.333 | S | S | * | . | trans | -127 | 161.7 | 170.6 | 59.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 125 | G | 83.7 | Confident | 89.4 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 94.3 | -170.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L127 | G125-L127 PolarHBondContact O-N 2.76Š|
| 126 | N | 87 | Confident | 89.3 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | trans | -85.9 | 103.5 | -172.9 | -171.7 | -20.9 | 0 | 0 | 0 | 111.3 | Y128 E129 A130 | N126-Y128 PolarHBondContact O-N 2.93Å; N126-Y128 VanDerWaalsContact OD1-CB 3.26Å; N126-Y128 WeakPolarHBondContact OD1-CB 3.34Å; N126-Y128 PolarHBondContact OD1-N 2.96Å; N126-E129 HydrophobicContact CB-CB 4.47Å; N126-E129 PolarHBondContact O-N 3.49Å; N126-A130 PolarHBondContact O-N 2.94Å; N126-A130 VanDerWaalsContact O-N 3.16Å | ||
| 127 | L | 87.3 | Confident | 89 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -29.3 | 178.7 | -62.9 | 178.7 | 0 | 0 | 0 | 113.1 | P115 I120 L123 G125 F131 L132 F160 | P115-L127 HydrophobicContact CB-CD1 4.1Å; P115-L127 HydrophobicContact CG-CD1 3.87Å; I120-L127 HydrophobicContact CG2-CD1 3.86Å; I120-L127 HydrophobicContact CG2-CD2 4.43Å; L123-L127 HydrophobicContact CB-CD2 4.45Å; L123-L127 HydrophobicContact CD1-CD2 4.13Å; G125-L127 PolarHBondContact O-N 2.76Å; L127-F131 HydrophobicContact CD2-CD2 4.13Å; L127-F131 HydrophobicContact CD2-CE2 4.13Å; L127-F131 WeakPolarHBondContact O-CB 3.47Å; L127-F131 PolarHBondContact O-N 2.81Å; L127-L132 PolarHBondContact O-N 2.78Å; L127-F160 HydrophobicContact CB-CZ 4.42Å |
| 128 | Y | 90.8 | Very high | 88.7 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 26% | 0.259 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -64 | -52.2 | 177 | 168.7 | -97.8 | 0 | 0 | 0 | 111.3 | N126 A130 L132 K133 I179 | N126-Y128 PolarHBondContact O-N 2.93Å; N126-Y128 VanDerWaalsContact OD1-CB 3.26Å; N126-Y128 WeakPolarHBondContact OD1-CB 3.34Å; N126-Y128 PolarHBondContact OD1-N 2.96Å; Y128-A130 PolarHBondContact O-N 2.92Å; Y128-L132 HydrophobicContact CD2-CB 4.08Å; Y128-L132 PolarHBondContact O-N 3.33Å; Y128-K133 HydrophobicContact CD1-CB 4.39Å; Y128-K133 HydrophobicContact CE1-CB 3.97Å; Y128-K133 HydrophobicContact CE1-CD 3.92Å; Y128-K133 HydrophobicContact CE1-CG 4.33Å; Y128-K133 HydrophobicContact CE2-CB 4.11Å; Y128-K133 WeakPolarHBondContact O-CB 3.37Å; Y128-K133 PolarHBondContact O-N 3.47Å; Y128-I179 HydrophobicContact CD2-CB 4.19Å; Y128-I179 HydrophobicContact CD2-CG2 4.23Å; Y128-I179 HydrophobicContact CE2-CB 3.83Å; Y128-I179 HydrophobicContact CE2-CD1 4.12Å; Y128-I179 HydrophobicContact CE2-CG1 4.29Å; Y128-I179 HydrophobicContact CE2-CG2 4.32Å |
| 129 | E | 90.1 | Very high | 88.5 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -66.3 | -37.4 | -179.9 | -73.8 | -66.8 | 153.7 | 0 | 0 | 112 | N126 K133 P134 | N126-E129 HydrophobicContact CB-CB 4.47Å; N126-E129 PolarHBondContact O-N 3.49Å; E129-K133 IonicContact OE1-NZ 2.85Å; E129-K133 PolarHBondContact OE1-NZ 2.95Å; E129-K133 VanDerWaalsContact OE2-CD 3.23Å; E129-K133 WeakPolarHBondContact OE2-CD 3.33Å; E129-K133 IonicContact OE2-NZ 2.75Å; E129-K133 PolarHBondContact OE2-NZ 2.82Å; E129-P134 WeakPolarHBondContact O-CD 3.12Å |
| 130 | A | 87.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -78.7 | -35.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N126 Y128 | N126-A130 PolarHBondContact O-N 2.94Å; N126-A130 VanDerWaalsContact O-N 3.16Å; Y128-A130 PolarHBondContact O-N 2.92Å |
| 131 | F | 92.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -121.1 | -59.1 | -172.3 | -66 | -91.6 | 0 | 0 | 0 | 112.6 | L123 L127 P134 Y135 V151 V158 F160 | L123-F131 HydrophobicContact CD1-CE2 4.08Å; L123-F131 HydrophobicContact CD1-CZ 4.09Å; L127-F131 HydrophobicContact CD2-CD2 4.13Å; L127-F131 HydrophobicContact CD2-CE2 4.13Å; L127-F131 WeakPolarHBondContact O-CB 3.47Å; L127-F131 PolarHBondContact O-N 2.81Å; F131-P134 WeakPolarHBondContact O-CD 3.23Å; F131-Y135 VanDerWaalsContact O-CB 3.26Å; F131-Y135 WeakPolarHBondContact O-CB 3.47Å; F131-Y135 PolarHBondContact O-N 3.02Å; F131-V151 HydrophobicContact CB-CB 4.35Å; F131-V151 HydrophobicContact CB-CG1 3.91Å; F131-V151 HydrophobicContact CD1-CB 4.46Å; F131-V151 HydrophobicContact CD1-CG1 4.18Å; F131-V151 WeakPolarHBondContact O-CG1 3.2Å; F131-V158 HydrophobicContact CD1-CB 4.26Å; F131-V158 HydrophobicContact CD1-CG2 4Å; F131-V158 HydrophobicContact CD2-CG2 4.31Å; F131-V158 HydrophobicContact CE1-CB 4.32Å; F131-V158 HydrophobicContact CE1-CG2 3.62Å; F131-V158 HydrophobicContact CE2-CG2 3.97Å; F131-V158 HydrophobicContact CG-CG2 4.34Å; F131-V158 HydrophobicContact CZ-CG2 3.61Å; F131-F160 HydrophobicContact CB-CE2 3.98Å; F131-F160 HydrophobicContact CB-CZ 4.05Å |
| 132 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -70.7 | -44.4 | -167 | -64.8 | 167.8 | 0 | 0 | 0 | 113 | V113 L127 Y128 Y135 F136 F149 F160 I179 T181 | V113-L132 HydrophobicContact CG2-CD1 3.55Å; V113-L132 HydrophobicContact CG2-CD2 4.19Å; L127-L132 PolarHBondContact O-N 2.78Å; Y128-L132 HydrophobicContact CD2-CB 4.08Å; Y128-L132 PolarHBondContact O-N 3.33Å; L132-Y135 WeakPolarHBondContact O-CB 3.49Å; L132-Y135 PolarHBondContact O-N 3.23Å; L132-F136 HydrophobicContact CB-CD2 4.36Å; L132-F136 HydrophobicContact CB-CE2 4.48Å; L132-F136 HydrophobicContact CD2-CE2 4.01Å; L132-F136 VanDerWaalsContact O-CD2 3.24Å; L132-F136 WeakPolarHBondContact O-CD2 3.49Å; L132-F136 PolarHBondContact O-N 3.29Å; L132-F149 HydrophobicContact CD2-CE2 4.05Å; L132-F149 HydrophobicContact CD2-CZ 3.94Å; L132-F160 HydrophobicContact CD1-CD1 4.15Å; L132-F160 HydrophobicContact CD1-CE1 3.83Å; L132-F160 HydrophobicContact CD1-CZ 4.26Å; L132-F160 HydrophobicContact CD2-CB 4.42Å; L132-F160 HydrophobicContact CD2-CD1 3.88Å; L132-F160 HydrophobicContact CD2-CD2 3.78Å; L132-F160 HydrophobicContact CD2-CE1 4Å; L132-F160 HydrophobicContact CD2-CE2 3.88Å; L132-F160 HydrophobicContact CD2-CG 3.77Å; L132-F160 HydrophobicContact CD2-CZ 3.99Å; L132-F160 HydrophobicContact CG-CD1 4.3Å; L132-F160 HydrophobicContact CG-CE1 3.95Å; L132-F160 HydrophobicContact CG-CE2 4.22Å; L132-F160 HydrophobicContact CG-CZ 3.89Å; L132-I179 HydrophobicContact CD1-CG2 4.41Å; L132-T181 HydrophobicContact CD1-CG2 3.47Å; L132-T181 VanDerWaalsContact CD1-CG2 3.47Å |
| 133 | K | 91.2 | Very high | 89.9 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 30% | 0.296 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -50.8 | -178.3 | 177.4 | -174.2 | -175.3 | 179.4 | 0 | 112.1 | Y128 E129 Y135 F136 L137 | Y128-K133 HydrophobicContact CD1-CB 4.39Å; Y128-K133 HydrophobicContact CE1-CB 3.97Å; Y128-K133 HydrophobicContact CE1-CD 3.92Å; Y128-K133 HydrophobicContact CE1-CG 4.33Å; Y128-K133 HydrophobicContact CE2-CB 4.11Å; Y128-K133 WeakPolarHBondContact O-CB 3.37Å; Y128-K133 PolarHBondContact O-N 3.47Å; E129-K133 IonicContact OE1-NZ 2.85Å; E129-K133 PolarHBondContact OE1-NZ 2.95Å; E129-K133 VanDerWaalsContact OE2-CD 3.23Å; E129-K133 WeakPolarHBondContact OE2-CD 3.33Å; E129-K133 IonicContact OE2-NZ 2.75Å; E129-K133 PolarHBondContact OE2-NZ 2.82Å; K133-Y135 VanDerWaalsContact C-N 3.29Å; K133-Y135 PolarHBondContact O-N 2.98Å; K133-F136 PolarHBondContact O-N 3.29Å; K133-L137 HydrophobicContact CG-CD1 3.72Å; K133-L137 HydrophobicContact CG-CG 4.33Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.47Å; K133-L137 VanDerWaalsContact O-CG 3.23Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.93Å |
| 134 | P | 91.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.4 | -40.5 | 172.7 | -24.5 | 33 | 0 | 0 | 0 | 113.2 | E129 F131 A138 | E129-P134 WeakPolarHBondContact O-CD 3.12Å; F131-P134 WeakPolarHBondContact O-CD 3.23Å; P134-A138 WeakPolarHBondContact O-CB 3.4Å; P134-A138 PolarHBondContact O-N 3.23Å |
| 135 | Y | 93.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | -177.3 | 179 | -103.2 | 0 | 0 | 0 | 113.5 | N33 F131 L132 K133 R141 F149 V151 | N33-Y135 WeakPolarHBondContact CB-OH 3.22Å; N33-Y135 PolarHBondContact ND2-OH 3.42Å; N33-Y135 VanDerWaalsContact ND2-OH 3.14Å; F131-Y135 VanDerWaalsContact O-CB 3.26Å; F131-Y135 WeakPolarHBondContact O-CB 3.47Å; F131-Y135 PolarHBondContact O-N 3.02Å; L132-Y135 WeakPolarHBondContact O-CB 3.49Å; L132-Y135 PolarHBondContact O-N 3.23Å; K133-Y135 VanDerWaalsContact C-N 3.29Å; K133-Y135 PolarHBondContact O-N 2.98Å; Y135-R141 VanDerWaalsContact CE1-CD 3.44Å; Y135-R141 PolarHBondContact O-NE 3.45Å; Y135-F149 HydrophobicContact CD1-CD2 4.29Å; Y135-F149 AromaticContact CD1-CE2 3.9Å; Y135-F149 HydrophobicContact CD1-CE2 3.9Å; Y135-F149 AromaticContact CE1-CD2 3.56Å; Y135-F149 HydrophobicContact CE1-CD2 3.56Å; Y135-F149 AromaticContact CE1-CE2 3.55Å; Y135-F149 HydrophobicContact CE1-CE2 3.55Å; Y135-F149 AromaticContact CZ-CD2 3.84Å; Y135-V151 HydrophobicContact CD1-CG2 3.93Å; Y135-V151 HydrophobicContact CD2-CB 4.42Å; Y135-V151 HydrophobicContact CD2-CG1 3.96Å; Y135-V151 HydrophobicContact CD2-CG2 3.93Å; Y135-V151 HydrophobicContact CE1-CG2 4.24Å; Y135-V151 HydrophobicContact CE2-CG2 4.24Å; Y135-V151 HydrophobicContact CG-CB 4.49Å; Y135-V151 HydrophobicContact CG-CG1 3.96Å; Y135-V151 HydrophobicContact CG-CG2 3.76Å |
| 136 | F | 94.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -85.3 | -22.4 | 178.8 | -70.4 | -62.7 | 0 | 0 | 0 | 113.8 | I111 L132 K133 A138 R141 V143 F149 V173 I179 | I111-F136 HydrophobicContact CD1-CE2 4.2Å; I111-F136 HydrophobicContact CD1-CZ 4.09Å; L132-F136 HydrophobicContact CB-CD2 4.36Å; L132-F136 HydrophobicContact CB-CE2 4.48Å; L132-F136 HydrophobicContact CD2-CE2 4.01Å; L132-F136 VanDerWaalsContact O-CD2 3.24Å; L132-F136 WeakPolarHBondContact O-CD2 3.49Å; L132-F136 PolarHBondContact O-N 3.29Å; K133-F136 PolarHBondContact O-N 3.29Å; F136-A138 VanDerWaalsContact C-N 3.35Å; F136-R141 HydrophobicContact CD1-CB 4.07Å; F136-R141 HydrophobicContact CE1-CB 4.12Å; F136-V143 HydrophobicContact CE1-CG1 4.11Å; F136-V143 HydrophobicContact CZ-CG1 4.42Å; F136-F149 HydrophobicContact CE2-CE2 4.38Å; F136-F149 HydrophobicContact CE2-CZ 4.08Å; F136-F149 HydrophobicContact CZ-CE1 4.44Å; F136-F149 HydrophobicContact CZ-CE2 4.05Å; F136-F149 AromaticContact CZ-CZ 3.7Å; F136-F149 HydrophobicContact CZ-CZ 3.7Å; F136-V173 HydrophobicContact CB-CG1 4.05Å; F136-V173 HydrophobicContact CD1-CB 3.67Å; F136-V173 HydrophobicContact CD1-CG1 3.55Å; F136-V173 HydrophobicContact CD1-CG2 4.06Å; F136-V173 HydrophobicContact CD2-CG1 4.32Å; F136-V173 HydrophobicContact CE1-CB 3.88Å; F136-V173 HydrophobicContact CE1-CG1 4.01Å; F136-V173 HydrophobicContact CE1-CG2 3.72Å; F136-V173 HydrophobicContact CG-CB 4.37Å; F136-V173 HydrophobicContact CG-CG1 3.74Å; F136-V173 HydrophobicContact CZ-CG2 4.3Å; F136-I179 HydrophobicContact CB-CD1 4.24Å; F136-I179 HydrophobicContact CD2-CD1 3.34Å; F136-I179 HydrophobicContact CE2-CD1 3.88Å; F136-I179 HydrophobicContact CG-CD1 3.99Å |
| 137 | L | 89.7 | Confident | 92.3 | Very high | 106 Ų | 106 | 47.5 Ų | 47.5 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.4 | -27.3 | 171.8 | -75.5 | 176 | 0 | 0 | 0 | 112.8 | K133 A139 P175 | K133-L137 HydrophobicContact CG-CD1 3.72Å; K133-L137 HydrophobicContact CG-CG 4.33Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.47Å; K133-L137 VanDerWaalsContact O-CG 3.23Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.93Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.25Å; L137-P175 HydrophobicContact CD2-CB 4.31Å |
| 138 | A | 85.8 | Confident | 92.7 | Very high | 80 Ų | 80 | 47 Ų | 47 | 66% | 0.661 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -70.3 | -26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P134 F136 | P134-A138 WeakPolarHBondContact O-CB 3.4Å; P134-A138 PolarHBondContact O-N 3.23Å; F136-A138 VanDerWaalsContact C-N 3.35Å |
| 139 | A | 86.9 | Confident | 92.9 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -160.1 | 151.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L137 R141 | L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.25Å; A139-R141 HydrophobicContact CB-CG 4.23Å; A139-R141 PolarHBondContact O-N 2.93Å |
| 140 | Y | 90.2 | Very high | 93.1 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | trans | -69.4 | 113.4 | 165.8 | -69.1 | -87.5 | 0 | 0 | 0 | 109.2 | Y107 I172 | Y107-Y140 HydrophobicContact CD1-CD1 4.46Å; Y107-Y140 AromaticContact CE1-CD1 3.75Å; Y107-Y140 HydrophobicContact CE1-CD1 3.75Å; Y107-Y140 AromaticContact CE1-CE1 3.92Å; Y107-Y140 HydrophobicContact CE1-CE1 3.92Å; Y140-I172 HydrophobicContact CD1-CG2 4.18Å | ||
| 141 | R | 95.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114 | -172.3 | -69.8 | -179.6 | 178.1 | -69.8 | -7.1 | 110.4 | D32 S34 Y135 F136 A139 V173 | D32-R141 VanDerWaalsContact CG-NH1 3.3Å; D32-R141 IonicContact OD1-CZ 3.63Å; D32-R141 IonicContact OD1-NH1 2.79Å; D32-R141 PolarHBondContact OD1-NH1 3.01Å; D32-R141 IonicContact OD1-NH2 3.74Å; D32-R141 IonicContact OD2-CZ 3.03Å; D32-R141 IonicContact OD2-NH1 3.64Å; D32-R141 PolarHBondContact OD2-NH1 2.92Å; D32-R141 VanDerWaalsContact OD2-NH1 3.16Å; D32-R141 IonicContact OD2-NH2 3.58Å; D32-R141 PolarHBondContact OD2-NH2 2.77Å; S34-R141 WeakPolarHBondContact OG-CG 3.37Å; S34-R141 PolarHBondContact OG-NH1 2.8Å; S34-R141 VanDerWaalsContact OG-NH1 3.09Å; Y135-R141 VanDerWaalsContact CE1-CD 3.44Å; Y135-R141 PolarHBondContact O-NE 3.45Å; F136-R141 HydrophobicContact CD1-CB 4.07Å; F136-R141 HydrophobicContact CE1-CB 4.12Å; A139-R141 HydrophobicContact CB-CG 4.23Å; A139-R141 PolarHBondContact O-N 2.93Å; R141-V173 PolarHBondContact N-O 3.01Å; R141-V173 WeakPolarHBondContact O-CG2 3.06Å; R141-V173 PolarHBondContact O-N 3.45Å |
| 142 | P | 97 | Very high | 93.1 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.8 | 168 | 29.5 | -35.2 | 0 | 0 | 0 | 109.9 | T53 V65 V67 I105 C171 I172 | T53-P142 HydrophobicContact CG2-CG 4.44Å; V65-P142 HydrophobicContact CB-CB 4.03Å; V65-P142 HydrophobicContact CG2-CB 3.68Å; V67-P142 HydrophobicContact CG2-CG 3.84Å; I105-P142 HydrophobicContact CD1-CB 4.15Å; P142-C171 WeakPolarHBondContact CA-O 3.16Å; P142-I172 HydrophobicContact CB-CG1 4.35Å |
| 143 | V | 97.7 | Very high | 92.4 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.3 | 176.9 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | V65 I111 F136 V162 T165 Y170 C171 V173 | V65-V143 VanDerWaalsContact CG2-C 3.49Å; I111-V143 HydrophobicContact CG2-CG2 4.14Å; F136-V143 HydrophobicContact CE1-CG1 4.11Å; F136-V143 HydrophobicContact CZ-CG1 4.42Å; V143-V162 HydrophobicContact CB-CG2 4.16Å; V143-V162 HydrophobicContact CG1-CG2 4.49Å; V143-T165 HydrophobicContact CG2-CG2 4.05Å; V143-Y170 VanDerWaalsContact O-CA 3.24Å; V143-Y170 WeakPolarHBondContact O-CA 3.37Å; V143-Y170 WeakPolarHBondContact O-CB 3.37Å; V143-C171 PolarHBondContact N-O 3.05Å; V143-C171 PolarHBondContact O-N 3.05Å; V143-C171 VanDerWaalsContact O-N 3.15Å; V143-V173 HydrophobicContact CB-CG2 4.36Å; V143-V173 HydrophobicContact CG1-CG2 3.85Å; V143-V173 HydrophobicContact CG2-CG2 3.56Å |
| 144 | H | 97.8 | Very high | 91.7 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 144.4 | 172.1 | -163.3 | -78.9 | 0 | 0 | 0 | 110.5 | E63 V65 G146 D147 V162 Y170 | E63-H144 IonicContact OE1-NE2 3.79Å; V65-H144 HydrophobicContact CG2-CB 4.24Å; H144-G146 PolarHBondContact O-N 2.85Å; H144-D147 WeakPolarHBondContact CA-OD2 3.41Å; H144-D147 WeakPolarHBondContact CB-OD2 3.35Å; H144-D147 PolarHBondContact N-OD2 2.83Å; H144-D147 VanDerWaalsContact O-CB 3.32Å; H144-D147 WeakPolarHBondContact O-CB 3.41Å; H144-D147 PolarHBondContact O-N 3.02Å; H144-V162 WeakPolarHBondContact O-CB 3.29Å; H144-Y170 AromaticContact CD2-CD1 3.64Å; H144-Y170 AromaticContact NE2-CD1 3.88Å |
| 145 | K | 96.3 | Very high | 91 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 126.2 | 170.3 | 178.1 | 173.7 | 177.5 | 168.9 | 0 | 109.4 | I163 P169 | K145-I163 VanDerWaalsContact CE-O 3.23Å; K145-I163 WeakPolarHBondContact CE-O 3.41Å; K145-I163 WeakPolarHBondContact CG-O 3.46Å; K145-P169 WeakPolarHBondContact CB-O 3.4Å; K145-P169 PolarHBondContact N-O 3Å |
| 146 | G | 92.6 | Very high | 90.5 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -7.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H144 V162 | H144-G146 PolarHBondContact O-N 2.85Å; G146-V162 WeakPolarHBondContact CA-O 3.26Å; G146-V162 PolarHBondContact N-O 3.21Å |
| 147 | D | 96.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | trans | -64.1 | 140.5 | 174 | -77.2 | -21.3 | 0 | 0 | 0 | 110.9 | T64 H144 K161 V162 | T64-D147 WeakPolarHBondContact CB-OD1 3.44Å; T64-D147 VanDerWaalsContact OG1-CG 3.25Å; T64-D147 PolarHBondContact OG1-OD1 3.15Å; T64-D147 PolarHBondContact OG1-OD2 3.09Å; H144-D147 WeakPolarHBondContact CA-OD2 3.41Å; H144-D147 WeakPolarHBondContact CB-OD2 3.35Å; H144-D147 PolarHBondContact N-OD2 2.83Å; H144-D147 VanDerWaalsContact O-CB 3.32Å; H144-D147 WeakPolarHBondContact O-CB 3.41Å; H144-D147 PolarHBondContact O-N 3.02Å; D147-K161 CarbonylContact O-C 3.53Å; D147-K161 WeakPolarHBondContact O-CA 3.38Å; D147-V162 HydrophobicContact CB-CG2 4.23Å; D147-V162 PolarHBondContact O-N 2.85Å | ||
| 148 | I | 95.4 | Very high | 90.4 | Very high | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.9 | 166.1 | -59.8 | 175.1 | 0 | 0 | 0 | 107.8 | C84 N88 I116 E159 F160 K161 E191 | C84-I148 PolarHBondContact SG-O 3.01Å; N88-I148 PolarHBondContact ND2-O 3.47Å; N88-I148 PolarHBondContact OD1-N 3.09Å; N88-I148 PolarHBondContact OD1-O 2.81Å; I116-I148 HydrophobicContact CD1-CD1 4.38Å; I116-I148 HydrophobicContact CG1-CG2 4.49Å; I148-E159 HydrophobicContact CG2-CB 4.23Å; I148-F160 CarbonylContact C-O 3.57Å; I148-F160 VanDerWaalsContact CA-O 3.26Å; I148-F160 WeakPolarHBondContact CA-O 3.44Å; I148-K161 HydrophobicContact CG1-CB 4.11Å; I148-K161 HydrophobicContact CG1-CD 4.35Å; I148-K161 HydrophobicContact CG1-CG 4.07Å; I148-E191 HydrophobicContact CD1-CB 4.38Å; I148-E191 HydrophobicContact CD1-CG 4.08Å |
| 149 | F | 95.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.5 | 177.1 | 64.7 | -83.4 | 0 | 0 | 0 | 112.1 | N33 C84 V113 L132 Y135 F136 V151 E159 F160 V162 | N33-F149 HydrophobicContact CB-CB 4.35Å; C84-F149 VanDerWaalsContact SG-CA 3.53Å; V113-F149 HydrophobicContact CG1-CE1 4.28Å; V113-F149 HydrophobicContact CG1-CZ 4.4Å; L132-F149 HydrophobicContact CD2-CE2 4.05Å; L132-F149 HydrophobicContact CD2-CZ 3.94Å; Y135-F149 HydrophobicContact CD1-CD2 4.29Å; Y135-F149 AromaticContact CD1-CE2 3.9Å; Y135-F149 HydrophobicContact CD1-CE2 3.9Å; Y135-F149 AromaticContact CE1-CD2 3.56Å; Y135-F149 HydrophobicContact CE1-CD2 3.56Å; Y135-F149 AromaticContact CE1-CE2 3.55Å; Y135-F149 HydrophobicContact CE1-CE2 3.55Å; Y135-F149 AromaticContact CZ-CD2 3.84Å; F136-F149 HydrophobicContact CE2-CE2 4.38Å; F136-F149 HydrophobicContact CE2-CZ 4.08Å; F136-F149 HydrophobicContact CZ-CE1 4.44Å; F136-F149 HydrophobicContact CZ-CE2 4.05Å; F136-F149 AromaticContact CZ-CZ 3.7Å; F136-F149 HydrophobicContact CZ-CZ 3.7Å; F149-V151 HydrophobicContact CD2-CG2 3.65Å; F149-V151 HydrophobicContact CE2-CG2 3.49Å; F149-V151 VanDerWaalsContact CE2-CG2 3.49Å; F149-E159 CarbonylContact O-C 3.34Å; F149-E159 WeakPolarHBondContact O-CA 3.41Å; F149-F160 HydrophobicContact CD1-CB 4.4Å; F149-F160 WeakPolarHBondContact CD1-O 3.13Å; F149-F160 HydrophobicContact CE1-CB 3.84Å; F149-F160 HydrophobicContact CE2-CB 4.02Å; F149-F160 HydrophobicContact CE2-CD2 4.35Å; F149-F160 HydrophobicContact CZ-CB 3.63Å; F149-F160 HydrophobicContact CZ-CG 4.37Å; F149-F160 PolarHBondContact N-O 3.23Å; F149-F160 PolarHBondContact O-N 2.81Å; F149-V162 HydrophobicContact CD1-CG2 4.11Å; F149-V162 HydrophobicContact CE1-CG2 3.76Å |
| 150 | I | 92.9 | Very high | 91.4 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.8 | -177.1 | -167.1 | 168.9 | 0 | 0 | 0 | 111 | N33 A157 E159 | N33-I150 PolarHBondContact ND2-O 2.84Å; I150-A157 HydrophobicContact CD1-CB 3.74Å; I150-A157 HydrophobicContact CG1-CB 3.9Å; I150-E159 HydrophobicContact CB-CG 4.25Å; I150-E159 HydrophobicContact CD1-CG 4.33Å; I150-E159 HydrophobicContact CG1-CG 4.14Å |
| 151 | V | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.1 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 109 | F131 Y135 F149 A157 V158 F160 | F131-V151 HydrophobicContact CB-CB 4.35Å; F131-V151 HydrophobicContact CB-CG1 3.91Å; F131-V151 HydrophobicContact CD1-CB 4.46Å; F131-V151 HydrophobicContact CD1-CG1 4.18Å; F131-V151 WeakPolarHBondContact O-CG1 3.2Å; Y135-V151 HydrophobicContact CD1-CG2 3.93Å; Y135-V151 HydrophobicContact CD2-CB 4.42Å; Y135-V151 HydrophobicContact CD2-CG1 3.96Å; Y135-V151 HydrophobicContact CD2-CG2 3.93Å; Y135-V151 HydrophobicContact CE1-CG2 4.24Å; Y135-V151 HydrophobicContact CE2-CG2 4.24Å; Y135-V151 HydrophobicContact CG-CB 4.49Å; Y135-V151 HydrophobicContact CG-CG1 3.96Å; Y135-V151 HydrophobicContact CG-CG2 3.76Å; F149-V151 HydrophobicContact CD2-CG2 3.65Å; F149-V151 HydrophobicContact CE2-CG2 3.49Å; F149-V151 VanDerWaalsContact CE2-CG2 3.49Å; V151-A157 WeakPolarHBondContact O-CA 3.39Å; V151-V158 PolarHBondContact N-O 2.8Å; V151-V158 PolarHBondContact O-N 3.32Å; V151-F160 HydrophobicContact CB-CD2 4.28Å; V151-F160 HydrophobicContact CB-CE2 4.11Å; V151-F160 HydrophobicContact CG2-CD2 3.84Å; V151-F160 HydrophobicContact CG2-CE2 4.07Å |
| 152 | R | 87.9 | Confident | 91.8 | Very high | 164 Ų | 164 | 46.3 Ų | 46.3 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.3 | 178.1 | -62.7 | -173.9 | 176.7 | 101.1 | -4.7 | 110 | D31 A157 | D31-R152 IonicContact OD2-CZ 3.75Å; D31-R152 IonicContact OD2-NH1 3.96Å; D31-R152 PolarHBondContact OD2-NH1 2.78Å; D31-R152 IonicContact OD2-NH2 2.79Å; D31-R152 PolarHBondContact OD2-NH2 3.18Å; R152-A157 HydrophobicContact CG-CB 4Å |
| 153 | G | 78.9 | Confident | 91.8 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 116.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M155 R156 | G153-M155 PolarHBondContact O-N 3.17Å; G153-R156 PolarHBondContact N-O 2.87Å; G153-R156 PolarHBondContact O-N 3.41Å; G153-R156 VanDerWaalsContact O-N 3.08Å; G153-R156 VanDerWaalsContact O-O 3.07Å |
| 154 | G | 76.5 | Confident | 91.7 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 92% | 0.918 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -125.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 155 | M | 76.4 | Confident | 91.7 | Very high | 202 Ų | 202 | 52.7 Ų | 52.7 | 100% | 0.995 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.8 | 176.8 | -64.5 | -177.4 | 173.9 | 0 | 0 | 113.6 | G153 | G153-M155 PolarHBondContact O-N 3.17Š|
| 156 | R | 82.7 | Confident | 91.8 | Very high | 117 Ų | 117 | 50.4 Ų | 50.4 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.4 | -176.5 | -71 | -173.4 | 177.7 | -151.7 | 8.1 | 112 | V121 L123 G153 | V121-R156 PolarHBondContact O-NH1 3.08Å; L123-R156 VanDerWaalsContact CD2-CD 3.44Å; L123-R156 VanDerWaalsContact CG-NH1 3.35Å; G153-R156 PolarHBondContact N-O 2.87Å; G153-R156 PolarHBondContact O-N 3.41Å; G153-R156 VanDerWaalsContact O-N 3.08Å; G153-R156 VanDerWaalsContact O-O 3.07Å |
| 157 | A | 89 | Confident | 92 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I150 V151 R152 | I150-A157 HydrophobicContact CD1-CB 3.74Å; I150-A157 HydrophobicContact CG1-CB 3.9Å; V151-A157 WeakPolarHBondContact O-CA 3.39Å; R152-A157 HydrophobicContact CG-CB 4Å |
| 158 | V | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.6 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | P115 I120 L123 F131 V151 F160 | P115-V158 HydrophobicContact CB-CG1 4.25Å; I120-V158 HydrophobicContact CG2-CG1 3.59Å; I120-V158 HydrophobicContact CG2-CG2 4.41Å; L123-V158 HydrophobicContact CD1-CG2 3.43Å; L123-V158 VanDerWaalsContact CD1-CG2 3.43Å; F131-V158 HydrophobicContact CD1-CB 4.26Å; F131-V158 HydrophobicContact CD1-CG2 4Å; F131-V158 HydrophobicContact CD2-CG2 4.31Å; F131-V158 HydrophobicContact CE1-CB 4.32Å; F131-V158 HydrophobicContact CE1-CG2 3.62Å; F131-V158 HydrophobicContact CE2-CG2 3.97Å; F131-V158 HydrophobicContact CG-CG2 4.34Å; F131-V158 HydrophobicContact CZ-CG2 3.61Å; V151-V158 PolarHBondContact N-O 2.8Å; V151-V158 PolarHBondContact O-N 3.32Å; V158-F160 HydrophobicContact CB-CD2 4.39Å; V158-F160 HydrophobicContact CB-CE2 3.67Å; V158-F160 HydrophobicContact CB-CZ 4.09Å; V158-F160 HydrophobicContact CG1-CD2 4.02Å; V158-F160 HydrophobicContact CG1-CE1 4.12Å; V158-F160 HydrophobicContact CG1-CE2 3.42Å; V158-F160 VanDerWaalsContact CG1-CE2 3.42Å; V158-F160 HydrophobicContact CG1-CZ 3.48Å; V158-F160 VanDerWaalsContact CG1-CZ 3.48Å |
| 159 | E | 95.1 | Very high | 91.9 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.6 | 173 | -70.3 | 179.9 | -119.1 | 0 | 0 | 109.4 | P115 I116 T119 I148 F149 I150 R188 | P115-E159 CarbonylContact C-O 3.56Å; P115-E159 WeakPolarHBondContact CA-O 3.47Å; I116-E159 HydrophobicContact CB-CB 4.08Å; I116-E159 HydrophobicContact CG1-CB 3.57Å; I116-E159 PolarHBondContact N-O 2.96Å; T119-E159 HydrophobicContact CG2-CB 3.91Å; T119-E159 HydrophobicContact CG2-CG 4.02Å; T119-E159 PolarHBondContact OG1-N 3.25Å; T119-E159 VanDerWaalsContact OG1-N 3.17Å; I148-E159 HydrophobicContact CG2-CB 4.23Å; F149-E159 CarbonylContact O-C 3.34Å; F149-E159 WeakPolarHBondContact O-CA 3.41Å; I150-E159 HydrophobicContact CB-CG 4.25Å; I150-E159 HydrophobicContact CD1-CG 4.33Å; I150-E159 HydrophobicContact CG1-CG 4.14Å; E159-R188 IonicContact OE1-CZ 3.75Å; E159-R188 IonicContact OE1-NH1 3.74Å; E159-R188 PolarHBondContact OE1-NH1 3.13Å; E159-R188 IonicContact OE1-NH2 3.54Å; E159-R188 PolarHBondContact OE1-NH2 3.38Å; E159-R188 IonicContact OE2-NH1 2.67Å; E159-R188 IonicContact OE2-NH2 2.67Å |
| 160 | F | 97.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.9 | 177.9 | -68.2 | -87.3 | 0 | 0 | 0 | 110 | L114 P115 L127 F131 L132 I148 F149 V151 V158 | L114-F160 CarbonylContact O-C 3.49Å; L114-F160 WeakPolarHBondContact O-CA 3.42Å; P115-F160 HydrophobicContact CB-CD1 4.1Å; P115-F160 HydrophobicContact CB-CE1 3.96Å; L127-F160 HydrophobicContact CB-CZ 4.42Å; F131-F160 HydrophobicContact CB-CE2 3.98Å; F131-F160 HydrophobicContact CB-CZ 4.05Å; L132-F160 HydrophobicContact CD1-CD1 4.15Å; L132-F160 HydrophobicContact CD1-CE1 3.83Å; L132-F160 HydrophobicContact CD1-CZ 4.26Å; L132-F160 HydrophobicContact CD2-CB 4.42Å; L132-F160 HydrophobicContact CD2-CD1 3.88Å; L132-F160 HydrophobicContact CD2-CD2 3.78Å; L132-F160 HydrophobicContact CD2-CE1 4Å; L132-F160 HydrophobicContact CD2-CE2 3.88Å; L132-F160 HydrophobicContact CD2-CG 3.77Å; L132-F160 HydrophobicContact CD2-CZ 3.99Å; L132-F160 HydrophobicContact CG-CD1 4.3Å; L132-F160 HydrophobicContact CG-CE1 3.95Å; L132-F160 HydrophobicContact CG-CE2 4.22Å; L132-F160 HydrophobicContact CG-CZ 3.89Å; I148-F160 CarbonylContact C-O 3.57Å; I148-F160 VanDerWaalsContact CA-O 3.26Å; I148-F160 WeakPolarHBondContact CA-O 3.44Å; F149-F160 HydrophobicContact CD1-CB 4.4Å; F149-F160 WeakPolarHBondContact CD1-O 3.13Å; F149-F160 HydrophobicContact CE1-CB 3.84Å; F149-F160 HydrophobicContact CE2-CB 4.02Å; F149-F160 HydrophobicContact CE2-CD2 4.35Å; F149-F160 HydrophobicContact CZ-CB 3.63Å; F149-F160 HydrophobicContact CZ-CG 4.37Å; F149-F160 PolarHBondContact N-O 3.23Å; F149-F160 PolarHBondContact O-N 2.81Å; V151-F160 HydrophobicContact CB-CD2 4.28Å; V151-F160 HydrophobicContact CB-CE2 4.11Å; V151-F160 HydrophobicContact CG2-CD2 3.84Å; V151-F160 HydrophobicContact CG2-CE2 4.07Å; V158-F160 HydrophobicContact CB-CD2 4.39Å; V158-F160 HydrophobicContact CB-CE2 3.67Å; V158-F160 HydrophobicContact CB-CZ 4.09Å; V158-F160 HydrophobicContact CG1-CD2 4.02Å; V158-F160 HydrophobicContact CG1-CE1 4.12Å; V158-F160 HydrophobicContact CG1-CE2 3.42Å; V158-F160 VanDerWaalsContact CG1-CE2 3.42Å; V158-F160 HydrophobicContact CG1-CZ 3.48Å; V158-F160 VanDerWaalsContact CG1-CZ 3.48Å |
| 161 | K | 96.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 55 Ų | 55 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.3 | 172.7 | -176.1 | 171.1 | 174.8 | 163.2 | 0 | 110.7 | V113 L114 I116 D147 I148 I163 V186 E191 | V113-K161 VanDerWaalsContact CA-O 3.26Å; V113-K161 WeakPolarHBondContact CA-O 3.26Å; L114-K161 PolarHBondContact N-O 2.83Å; L114-K161 PolarHBondContact O-N 3.01Å; I116-K161 HydrophobicContact CD1-CB 4.18Å; D147-K161 CarbonylContact O-C 3.53Å; D147-K161 WeakPolarHBondContact O-CA 3.38Å; I148-K161 HydrophobicContact CG1-CB 4.11Å; I148-K161 HydrophobicContact CG1-CD 4.35Å; I148-K161 HydrophobicContact CG1-CG 4.07Å; K161-I163 HydrophobicContact CB-CD1 4.29Å; K161-I163 HydrophobicContact CD-CD1 4.14Å; K161-I163 HydrophobicContact CG-CD1 4.03Å; K161-I163 PolarHBondContact O-N 2.96Å; K161-V186 HydrophobicContact CB-CG2 4.28Å; K161-V186 HydrophobicContact CD-CG1 4.26Å; K161-V186 HydrophobicContact CD-CG2 4.33Å; K161-E191 HydrophobicContact CD-CG 4.49Å; K161-E191 IonicContact NZ-OE1 2.67Å; K161-E191 PolarHBondContact NZ-OE1 3.38Å; K161-E191 IonicContact NZ-OE2 3.72Å; K161-E191 PolarHBondContact NZ-OE2 3.41Å |
| 162 | V | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 107.5 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | V113 V143 H144 G146 D147 F149 T165 | V113-V162 HydrophobicContact CG1-CG2 4.17Å; V143-V162 HydrophobicContact CB-CG2 4.16Å; V143-V162 HydrophobicContact CG1-CG2 4.49Å; H144-V162 WeakPolarHBondContact O-CB 3.29Å; G146-V162 WeakPolarHBondContact CA-O 3.26Å; G146-V162 PolarHBondContact N-O 3.21Å; D147-V162 HydrophobicContact CB-CG2 4.23Å; D147-V162 PolarHBondContact O-N 2.85Å; F149-V162 HydrophobicContact CD1-CG2 4.11Å; F149-V162 HydrophobicContact CE1-CG2 3.76Å; V162-T165 HydrophobicContact CG1-CG2 3.56Å |
| 163 | I | 96.6 | Very high | 92.8 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -42.4 | -179.4 | -54.6 | -57.9 | 0 | 0 | 0 | 110.6 | H112 L114 K145 K161 V186 | H112-I163 HydrophobicContact CB-CB 4.28Å; H112-I163 PolarHBondContact O-N 3.4Å; L114-I163 HydrophobicContact CB-CD1 4.29Å; L114-I163 HydrophobicContact CB-CG1 4.05Å; L114-I163 HydrophobicContact CD1-CD1 4.1Å; L114-I163 HydrophobicContact CD1-CG1 3.73Å; L114-I163 HydrophobicContact CG-CD1 4.4Å; L114-I163 HydrophobicContact CG-CG1 3.77Å; K145-I163 VanDerWaalsContact CE-O 3.23Å; K145-I163 WeakPolarHBondContact CE-O 3.41Å; K145-I163 WeakPolarHBondContact CG-O 3.46Å; K161-I163 HydrophobicContact CB-CD1 4.29Å; K161-I163 HydrophobicContact CD-CD1 4.14Å; K161-I163 HydrophobicContact CG-CD1 4.03Å; K161-I163 PolarHBondContact O-N 2.96Å; I163-V186 HydrophobicContact CD1-CG2 3.89Å |
| 164 | E | 97.3 | Very high | 93.4 | Very high | 110 Ų | 110 | 47.4 Ų | 47.4 | 51% | 0.514 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.3 | -177.2 | -165.9 | 169.5 | -159.8 | 0 | 0 | 111.8 | I111 H112 | I111-E164 WeakPolarHBondContact CA-O 3.45Å; H112-E164 HydrophobicContact CB-CB 4.05Å; H112-E164 PolarHBondContact N-O 3.07Å; H112-E164 PolarHBondContact O-N 3.41Å |
| 165 | T | 97.6 | Very high | 94 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.9 | 176.8 | 50 | 0 | 0 | 0 | 0 | 109.3 | I111 V143 V162 P167 S168 P169 | I111-T165 HydrophobicContact CG2-CG2 4.1Å; V143-T165 HydrophobicContact CG2-CG2 4.05Å; V162-T165 HydrophobicContact CG1-CG2 3.56Å; T165-P167 CarbonylContact C-O 3.47Å; T165-P167 WeakPolarHBondContact CB-O 3.41Å; T165-P167 CarbonylContact O-C 3.59Å; T165-P167 PolarHBondContact OG1-O 2.81Å; T165-S168 WeakPolarHBondContact O-CA 3.37Å; T165-S168 WeakPolarHBondContact O-CB 3.28Å; T165-S168 PolarHBondContact O-N 2.94Å; T165-P169 PolarHBondContact OG1-O 2.94Å |
| 166 | D | 97.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 108.2 | 170.7 | 178.1 | 12.1 | 0 | 0 | 0 | 108.8 | G108 K109 R110 | G108-D166 CarbonylContact C-O 3.58Å; G108-D166 VanDerWaalsContact CA-O 3.29Å; G108-D166 WeakPolarHBondContact CA-O 3.35Å; K109-D166 PolarHBondContact N-O 3.49Å; R110-D166 HydrophobicContact CG-CB 3.68Å; R110-D166 IonicContact NE-OD2 2.85Å; R110-D166 PolarHBondContact O-N 2.94Å |
| 167 | P | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | S | Bend | cis | -71 | 153.5 | 3.4 | 28.3 | -33.6 | 0 | 0 | 0 | 113.5 | L106 T165 Y170 C171 | L106-P167 HydrophobicContact CB-CG 3.83Å; L106-P167 HydrophobicContact CD1-CG 4.09Å; L106-P167 HydrophobicContact CG-CG 4.49Å; T165-P167 CarbonylContact C-O 3.47Å; T165-P167 WeakPolarHBondContact CB-O 3.41Å; T165-P167 CarbonylContact O-C 3.59Å; T165-P167 PolarHBondContact OG1-O 2.81Å; P167-Y170 CarbonylContact O-C 3.53Å; P167-Y170 VanDerWaalsContact O-O 3.05Å; P167-C171 HydrophobicContact CG-CB 4.32Å |
| 168 | S | 94.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 41 Ų | 41 | 53% | 0.531 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -94.5 | 146.3 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 110 | T165 | T165-S168 WeakPolarHBondContact O-CA 3.37Å; T165-S168 WeakPolarHBondContact O-CB 3.28Å; T165-S168 PolarHBondContact O-N 2.94Å |
| 169 | P | 95.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 42 Ų | 42 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -91.9 | -2.4 | 5.1 | 34.6 | -31.5 | 0 | 0 | 0 | 114.4 | K145 T165 | K145-P169 WeakPolarHBondContact CB-O 3.4Å; K145-P169 PolarHBondContact N-O 3Å; T165-P169 PolarHBondContact OG1-O 2.94Å |
| 170 | Y | 97.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 155.8 | -178.4 | 50.9 | -106.5 | 0 | 0 | 0 | 112.2 | L55 V65 L102 I105 V143 H144 P167 | L55-Y170 HydrophobicContact CD1-CE1 4.45Å; V65-Y170 HydrophobicContact CG1-CD1 3.94Å; V65-Y170 HydrophobicContact CG1-CD2 4.15Å; V65-Y170 HydrophobicContact CG1-CG 3.71Å; V65-Y170 HydrophobicContact CG2-CG 4.47Å; L102-Y170 HydrophobicContact CD1-CE2 4.4Å; L102-Y170 HydrophobicContact CD2-CD2 4.13Å; L102-Y170 HydrophobicContact CD2-CE1 4.45Å; L102-Y170 HydrophobicContact CD2-CE2 3.69Å; L102-Y170 HydrophobicContact CG-CE2 4.44Å; I105-Y170 HydrophobicContact CD1-CD2 3.75Å; I105-Y170 HydrophobicContact CD1-CE2 4.43Å; I105-Y170 HydrophobicContact CG1-CD2 3.8Å; I105-Y170 HydrophobicContact CG1-CE2 4.17Å; V143-Y170 VanDerWaalsContact O-CA 3.24Å; V143-Y170 WeakPolarHBondContact O-CA 3.37Å; V143-Y170 WeakPolarHBondContact O-CB 3.37Å; H144-Y170 AromaticContact CD2-CD1 3.64Å; H144-Y170 AromaticContact NE2-CD1 3.88Å; P167-Y170 CarbonylContact O-C 3.53Å; P167-Y170 VanDerWaalsContact O-O 3.05Å |
| 171 | C | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 165.8 | 174.2 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | L106 G108 P142 V143 P167 | L106-C171 CarbonylContact O-C 3.58Å; L106-C171 WeakPolarHBondContact O-CA 3.34Å; L106-C171 WeakPolarHBondContact O-CB 3.28Å; G108-C171 VanDerWaalsContact CA-SG 3.54Å; P142-C171 WeakPolarHBondContact CA-O 3.16Å; V143-C171 PolarHBondContact N-O 3.05Å; V143-C171 PolarHBondContact O-N 3.05Å; V143-C171 VanDerWaalsContact O-N 3.15Å; P167-C171 HydrophobicContact CG-CB 4.32Å |
| 172 | I | 97.2 | Very high | 95.2 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.9 | 167.3 | -60.7 | 177.1 | 0 | 0 | 0 | 109.1 | T53 I105 L106 Y107 G108 Y140 P142 S174 | T53-I172 HydrophobicContact CG2-CD1 4.09Å; I105-I172 HydrophobicContact CD1-CG1 3.98Å; I105-I172 HydrophobicContact CG1-CG1 4.06Å; I105-I172 HydrophobicContact CG2-CD1 3.53Å; I105-I172 HydrophobicContact CG2-CG1 3.85Å; L106-I172 PolarHBondContact O-N 2.74Å; Y107-I172 WeakPolarHBondContact CA-O 3.3Å; Y107-I172 HydrophobicContact CD1-CB 3.84Å; Y107-I172 HydrophobicContact CD1-CG2 3.82Å; Y107-I172 HydrophobicContact CE1-CB 4.18Å; Y107-I172 HydrophobicContact CE1-CD1 4.45Å; Y107-I172 HydrophobicContact CE1-CG2 3.82Å; G108-I172 PolarHBondContact N-O 3.41Å; Y140-I172 HydrophobicContact CD1-CG2 4.18Å; P142-I172 HydrophobicContact CB-CG1 4.35Å; I172-S174 PolarHBondContact O-N 2.91Å |
| 173 | V | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.8 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | I111 F136 R141 V143 T177 I179 | I111-V173 HydrophobicContact CD1-CG1 4.16Å; I111-V173 HydrophobicContact CD1-CG2 3.71Å; I111-V173 HydrophobicContact CG2-CG2 4.34Å; F136-V173 HydrophobicContact CB-CG1 4.05Å; F136-V173 HydrophobicContact CD1-CB 3.67Å; F136-V173 HydrophobicContact CD1-CG1 3.55Å; F136-V173 HydrophobicContact CD1-CG2 4.06Å; F136-V173 HydrophobicContact CD2-CG1 4.32Å; F136-V173 HydrophobicContact CE1-CB 3.88Å; F136-V173 HydrophobicContact CE1-CG1 4.01Å; F136-V173 HydrophobicContact CE1-CG2 3.72Å; F136-V173 HydrophobicContact CG-CB 4.37Å; F136-V173 HydrophobicContact CG-CG1 3.74Å; F136-V173 HydrophobicContact CZ-CG2 4.3Å; R141-V173 PolarHBondContact N-O 3.01Å; R141-V173 WeakPolarHBondContact O-CG2 3.06Å; R141-V173 PolarHBondContact O-N 3.45Å; V143-V173 HydrophobicContact CB-CG2 4.36Å; V143-V173 HydrophobicContact CG1-CG2 3.85Å; V143-V173 HydrophobicContact CG2-CG2 3.56Å; V173-T177 HydrophobicContact CG1-CG2 4.1Å; V173-I179 HydrophobicContact CG1-CD1 4.09Å |
| 174 | S | 91 | Very high | 94.6 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | trans | -117.5 | 169.2 | 179.2 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | I172 D176 T177 | I172-S174 PolarHBondContact O-N 2.91Å; S174-D176 PolarHBondContact O-N 3.46Å; S174-D176 VanDerWaalsContact O-N 3.14Å; S174-D176 PolarHBondContact OG-N 2.95Å; S174-T177 PolarHBondContact N-OG1 3.01Å; S174-T177 VanDerWaalsContact O-CB 3.3Å; S174-T177 WeakPolarHBondContact O-CB 3.34Å; S174-T177 PolarHBondContact O-N 2.6Å; S174-T177 PolarHBondContact O-OG1 3.41Å; S174-T177 PolarHBondContact OG-N 3.47Å; S174-T177 PolarHBondContact OG-OG1 3.28Å | ||
| 175 | P | 89.7 | Confident | 94.4 | Very high | 79 Ų | 79 | 55.4 Ų | 55.4 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.2 | 174.2 | -27.3 | 36.5 | 0 | 0 | 0 | 114.6 | L137 | L137-P175 HydrophobicContact CD2-CB 4.31Š|
| 176 | D | 90.6 | Very high | 94.3 | Very high | 149 Ų | 149 | 56.1 Ų | 56.1 | 80% | 0.797 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.7 | 178.9 | -60.9 | -41.5 | 0 | 0 | 0 | 113.2 | S174 T178 | S174-D176 PolarHBondContact O-N 3.46Å; S174-D176 VanDerWaalsContact O-N 3.14Å; S174-D176 PolarHBondContact OG-N 2.95Å; D176-T178 PolarHBondContact O-N 2.73Å |
| 177 | T | 95.6 | Very high | 94 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -72.1 | 124.1 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | G108 I111 V173 S174 I179 | G108-T177 WeakPolarHBondContact O-CA 3.45Å; G108-T177 VanDerWaalsContact O-CB 3.3Å; G108-T177 WeakPolarHBondContact O-CB 3.49Å; G108-T177 WeakPolarHBondContact O-CG2 3.29Å; G108-T177 PolarHBondContact O-OG1 2.83Å; I111-T177 HydrophobicContact CG1-CG2 4.34Å; I111-T177 HydrophobicContact CG2-CG2 4.25Å; V173-T177 HydrophobicContact CG1-CG2 4.1Å; S174-T177 PolarHBondContact N-OG1 3.01Å; S174-T177 VanDerWaalsContact O-CB 3.3Å; S174-T177 WeakPolarHBondContact O-CB 3.34Å; S174-T177 PolarHBondContact O-N 2.6Å; S174-T177 PolarHBondContact O-OG1 3.41Å; S174-T177 PolarHBondContact OG-N 3.47Å; S174-T177 PolarHBondContact OG-OG1 3.28Å; T177-I179 PolarHBondContact O-N 2.85Å |
| 178 | T | 95.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 124 | 175.8 | -57 | 0 | 0 | 0 | 0 | 110.3 | K109 R110 I111 D176 | K109-T178 PolarHBondContact O-N 2.94Å; R110-T178 CarbonylContact C-O 3.55Å; R110-T178 WeakPolarHBondContact CA-O 3.37Å; R110-T178 WeakPolarHBondContact CB-O 3.46Å; I111-T178 PolarHBondContact N-O 2.73Å; D176-T178 PolarHBondContact O-N 2.73Å |
| 179 | I | 95.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.8 | -179.4 | -52.5 | -173 | 0 | 0 | 0 | 108.8 | I111 V113 Y128 L132 F136 V173 T177 T181 | I111-I179 HydrophobicContact CD1-CD1 4.28Å; I111-I179 HydrophobicContact CD1-CG1 4.1Å; I111-I179 HydrophobicContact CD1-CG2 4.19Å; I111-I179 HydrophobicContact CG1-CB 4.27Å; I111-I179 HydrophobicContact CG1-CG1 3.96Å; I111-I179 HydrophobicContact CG1-CG2 4.11Å; V113-I179 HydrophobicContact CG2-CG2 3.57Å; Y128-I179 HydrophobicContact CD2-CB 4.19Å; Y128-I179 HydrophobicContact CD2-CG2 4.23Å; Y128-I179 HydrophobicContact CE2-CB 3.83Å; Y128-I179 HydrophobicContact CE2-CD1 4.12Å; Y128-I179 HydrophobicContact CE2-CG1 4.29Å; Y128-I179 HydrophobicContact CE2-CG2 4.32Å; L132-I179 HydrophobicContact CD1-CG2 4.41Å; F136-I179 HydrophobicContact CB-CD1 4.24Å; F136-I179 HydrophobicContact CD2-CD1 3.34Å; F136-I179 HydrophobicContact CE2-CD1 3.88Å; F136-I179 HydrophobicContact CG-CD1 3.99Å; V173-I179 HydrophobicContact CG1-CD1 4.09Å; T177-I179 PolarHBondContact O-N 2.85Å; I179-T181 HydrophobicContact CG2-CG2 4.25Å |
| 180 | H | 95.5 | Very high | 92.6 | Very high | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.3 | 172.9 | -65.1 | -77 | 0 | 0 | 0 | 110.1 | I111 H112 V113 | I111-H180 PolarHBondContact O-N 3.29Å; H112-H180 WeakPolarHBondContact CA-O 3.4Å; H112-H180 HydrophobicContact CB-CB 4.37Å; H112-H180 PolarHBondContact CD2-O 3.44Å; V113-H180 PolarHBondContact N-O 2.92Å |
| 181 | T | 92.9 | Very high | 91.8 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | trans | -130.5 | 13.1 | 178.3 | 64.4 | 0 | 0 | 0 | 0 | 113 | V113 L132 I179 | V113-T181 HydrophobicContact CG2-CG2 4.05Å; V113-T181 WeakPolarHBondContact O-CA 3.42Å; L132-T181 HydrophobicContact CD1-CG2 3.47Å; L132-T181 VanDerWaalsContact CD1-CG2 3.47Å; I179-T181 HydrophobicContact CG2-CG2 4.25Å | ||
| 182 | E | 90.1 | Very high | 90.8 | Very high | 158 Ų | 158 | 66 Ų | 66 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | trans | -82.9 | 130.8 | -178.8 | -65.2 | 172.8 | -166.1 | 0 | 0 | 110.3 | H112 | H112-E182 PolarHBondContact CE1-O 2.81Å; H112-E182 PolarHBondContact NE2-O 3.48Å | ||
| 183 | G | 89.7 | Confident | 89.7 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 54% | 0.536 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 141.6 | 166.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 184 | D | 92.7 | Very high | 88.5 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 77% | 0.765 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 138.3 | 177 | -64.2 | -45.6 | 0 | 0 | 0 | 110.3 | L114 | L114-D184 WeakPolarHBondContact CD1-O 3.36Š|
| 185 | P | 93.1 | Very high | 87.3 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 143 | 172.5 | -26.8 | 35.3 | 0 | 0 | 0 | 111.8 | P115 D117 I120 K187 | P115-P185 HydrophobicContact CG-CB 4.21Å; P115-P185 HydrophobicContact CG-CG 4.3Å; P115-P185 CarbonylContact O-C 3.6Å; P115-P185 WeakPolarHBondContact O-CA 3.17Å; D117-P185 HydrophobicContact CB-CB 3.77Å; I120-P185 HydrophobicContact CD1-CB 4.08Å; I120-P185 HydrophobicContact CD1-CG 3.65Å; P185-K187 PolarHBondContact O-N 2.85Å |
| 186 | V | 94.1 | Very high | 86.2 | Confident | 19 Ų | 19 | 80 Ų | 80 | 12% | 0.115 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 126.6 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | L114 P115 I116 D117 K161 I163 R188 E191 | L114-V186 HydrophobicContact CB-CG2 3.98Å; P115-V186 PolarHBondContact O-N 2.92Å; I116-V186 WeakPolarHBondContact CA-O 3.44Å; I116-V186 HydrophobicContact CD1-CB 3.94Å; I116-V186 HydrophobicContact CD1-CG1 4.09Å; D117-V186 PolarHBondContact N-O 2.78Å; K161-V186 HydrophobicContact CB-CG2 4.28Å; K161-V186 HydrophobicContact CD-CG1 4.26Å; K161-V186 HydrophobicContact CD-CG2 4.33Å; I163-V186 HydrophobicContact CD1-CG2 3.89Å; V186-R188 PolarHBondContact O-N 3.39Å; V186-E191 HydrophobicContact CG1-CG 3.77Å |
| 187 | K | 92.9 | Very high | 85.5 | Confident | 110 Ų | 110 | 77 Ų | 77 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 130.9 | 174.8 | -63.2 | -177.9 | 177.8 | -175.9 | 0 | 110.3 | P185 E189 D190 | P185-K187 PolarHBondContact O-N 2.85Å; K187-E189 PolarHBondContact O-N 2.99Å; K187-D190 HydrophobicContact CB-CB 4.35Å; K187-D190 PolarHBondContact O-N 3.5Å |
| 188 | R | 89.1 | Confident | 84.8 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 23% | 0.226 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 174.2 | -175.4 | 169.6 | -61.9 | -99.4 | 0.6 | 111.8 | I116 D117 D118 E159 V186 D190 E191 E192 | I116-R188 HydrophobicContact CG2-CB 3.86Å; D117-R188 PolarHBondContact OD1-N 3.19Å; D118-R188 IonicContact OD1-CZ 2.71Å; D118-R188 IonicContact OD1-NE 2.95Å; D118-R188 PolarHBondContact OD1-NE 2.7Å; D118-R188 IonicContact OD1-NH2 2.77Å; D118-R188 PolarHBondContact OD1-NH2 3.37Å; D118-R188 WeakPolarHBondContact OD2-CD 3.38Å; D118-R188 IonicContact OD2-CZ 3.87Å; D118-R188 IonicContact OD2-NE 3.8Å; D118-R188 PolarHBondContact OD2-NE 3.05Å; D118-R188 IonicContact OD2-NH2 3.35Å; D118-R188 PolarHBondContact OD2-NH2 3.33Å; E159-R188 IonicContact OE1-CZ 3.75Å; E159-R188 IonicContact OE1-NH1 3.74Å; E159-R188 PolarHBondContact OE1-NH1 3.13Å; E159-R188 IonicContact OE1-NH2 3.54Å; E159-R188 PolarHBondContact OE1-NH2 3.38Å; E159-R188 IonicContact OE2-NH1 2.67Å; E159-R188 IonicContact OE2-NH2 2.67Å; V186-R188 PolarHBondContact O-N 3.39Å; R188-D190 VanDerWaalsContact C-N 3.3Å; R188-D190 PolarHBondContact O-N 3.05Å; R188-E191 WeakPolarHBondContact O-CA 3.28Å; R188-E191 PolarHBondContact O-N 3.35Å; R188-E192 WeakPolarHBondContact CD-OE1 3.33Å; R188-E192 HydrophobicContact CG-CG 3.98Å; R188-E192 WeakPolarHBondContact CG-OE1 3.43Å; R188-E192 WeakPolarHBondContact O-CG 3.44Å; R188-E192 PolarHBondContact O-N 2.83Å |
| 189 | E | 82.9 | Confident | 84.3 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -53 | -46.3 | 177.6 | -64.6 | 178.4 | 170.9 | 0 | 0 | 111.7 | K187 E191 E192 E193 | K187-E189 PolarHBondContact O-N 2.99Å; E189-E191 PolarHBondContact O-N 3.19Å; E189-E192 PolarHBondContact O-N 3.28Å; E189-E192 VanDerWaalsContact O-N 3.17Å; E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 2.97Å |
| 190 | D | 83.6 | Confident | 83.8 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -29.5 | 178.6 | -63.6 | -8.2 | 0 | 0 | 0 | 112.8 | K187 R188 K194 | K187-D190 HydrophobicContact CB-CB 4.35Å; K187-D190 PolarHBondContact O-N 3.5Å; R188-D190 VanDerWaalsContact C-N 3.3Å; R188-D190 PolarHBondContact O-N 3.05Å; D190-K194 WeakPolarHBondContact O-CD 3.41Å; D190-K194 WeakPolarHBondContact O-CE 3.31Å; D190-K194 VanDerWaalsContact O-CG 3.3Å; D190-K194 WeakPolarHBondContact O-CG 3.48Å; D190-K194 PolarHBondContact O-N 3.04Å |
| 191 | E | 80.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -84 | -34.3 | 176.1 | -66.4 | -56.9 | 119.9 | 0 | 0 | 112.4 | I148 K161 V186 R188 E189 K194 L195 | I148-E191 HydrophobicContact CD1-CB 4.38Å; I148-E191 HydrophobicContact CD1-CG 4.08Å; K161-E191 HydrophobicContact CD-CG 4.49Å; K161-E191 IonicContact NZ-OE1 2.67Å; K161-E191 PolarHBondContact NZ-OE1 3.38Å; K161-E191 IonicContact NZ-OE2 3.72Å; K161-E191 PolarHBondContact NZ-OE2 3.41Å; V186-E191 HydrophobicContact CG1-CG 3.77Å; R188-E191 WeakPolarHBondContact O-CA 3.28Å; R188-E191 PolarHBondContact O-N 3.35Å; E189-E191 PolarHBondContact O-N 3.19Å; E191-K194 PolarHBondContact O-N 3.38Å; E191-K194 IonicContact OE1-NZ 2.6Å; E191-K194 PolarHBondContact OE1-NZ 2.95Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CD1 3.36Å; E191-L195 VanDerWaalsContact O-CG 3.24Å; E191-L195 WeakPolarHBondContact O-CG 3.09Å; E191-L195 PolarHBondContact O-N 3.49Å |
| 192 | E | 76.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 75 Ų | 75 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 172.8 | -73.3 | -177.3 | 175.2 | 0 | 0 | 111.7 | R188 E189 L195 N196 | R188-E192 WeakPolarHBondContact CD-OE1 3.33Å; R188-E192 HydrophobicContact CG-CG 3.98Å; R188-E192 WeakPolarHBondContact CG-OE1 3.43Å; R188-E192 WeakPolarHBondContact O-CG 3.44Å; R188-E192 PolarHBondContact O-N 2.83Å; E189-E192 PolarHBondContact O-N 3.28Å; E189-E192 VanDerWaalsContact O-N 3.17Å; E192-L195 HydrophobicContact CG-CD1 4.4Å; E192-L195 WeakPolarHBondContact O-CB 3.49Å; E192-L195 PolarHBondContact O-N 3.07Å; E192-N196 WeakPolarHBondContact O-CB 3.36Å; E192-N196 VanDerWaalsContact O-CG 3.25Å; E192-N196 PolarHBondContact O-N 2.71Å; E192-N196 PolarHBondContact O-ND2 3.2Å; E192-N196 VanDerWaalsContact O-ND2 3.16Å |
| 193 | E | 73.9 | Confident | 83 | Confident | 141 Ų | 141 | 68.3 Ų | 68.3 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 171.6 | -74.1 | -173.8 | 172.8 | 0 | 0 | 111.5 | E189 L195 N196 E197 | E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 2.97Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-N196 PolarHBondContact O-N 2.65Å; E193-N196 VanDerWaalsContact O-N 3.17Å; E193-E197 PolarHBondContact O-N 3.32Å |
| 194 | K | 72 | Confident | 83.1 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -32 | 174.5 | -69.8 | 169.1 | -158.7 | 155.7 | 0 | 112.7 | D190 E191 N196 | D190-K194 WeakPolarHBondContact O-CD 3.41Å; D190-K194 WeakPolarHBondContact O-CE 3.31Å; D190-K194 VanDerWaalsContact O-CG 3.3Å; D190-K194 WeakPolarHBondContact O-CG 3.48Å; D190-K194 PolarHBondContact O-N 3.04Å; E191-K194 PolarHBondContact O-N 3.38Å; E191-K194 IonicContact OE1-NZ 2.6Å; E191-K194 PolarHBondContact OE1-NZ 2.95Å; K194-N196 VanDerWaalsContact C-N 3.32Å |
| 195 | L | 64.8 | Low | 83 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 174.1 | -83 | 155.4 | 0 | 0 | 0 | 111.1 | K60 R90 E191 E192 E193 E197 | K60-L195 PolarHBondContact NZ-O 2.66Å; R90-L195 VanDerWaalsContact NE-CD2 3.34Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CD1 3.36Å; E191-L195 VanDerWaalsContact O-CG 3.24Å; E191-L195 WeakPolarHBondContact O-CG 3.09Å; E191-L195 PolarHBondContact O-N 3.49Å; E192-L195 HydrophobicContact CG-CD1 4.4Å; E192-L195 WeakPolarHBondContact O-CB 3.49Å; E192-L195 PolarHBondContact O-N 3.07Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.88Å; L195-E197 VanDerWaalsContact C-N 3.3Å; L195-E197 PolarHBondContact O-N 3Å |
| 196 | N | 66.3 | Low | 82.9 | Confident | 129 Ų | 129 | 58.8 Ų | 58.8 | 69% | 0.69 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 2.3 | -177.3 | -69.6 | -28.8 | 0 | 0 | 0 | 114.4 | E192 E193 K194 I198 | E192-N196 WeakPolarHBondContact O-CB 3.36Å; E192-N196 VanDerWaalsContact O-CG 3.25Å; E192-N196 PolarHBondContact O-N 2.71Å; E192-N196 PolarHBondContact O-ND2 3.2Å; E192-N196 VanDerWaalsContact O-ND2 3.16Å; E193-N196 PolarHBondContact O-N 2.65Å; E193-N196 VanDerWaalsContact O-N 3.17Å; K194-N196 VanDerWaalsContact C-N 3.32Å; N196-I198 PolarHBondContact O-N 2.81Å |
| 197 | E | 76.3 | Confident | 82.6 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 41% | 0.407 | 33% | 0.326 | S | S | . | . | trans | -55.3 | 131 | 174.8 | -78.1 | 177.1 | -171.6 | 0 | 0 | 111.9 | K60 E193 L195 | K60-E197 WeakPolarHBondContact CE-O 3.35Å; K60-E197 PolarHBondContact NZ-O 2.79Å; E193-E197 PolarHBondContact O-N 3.32Å; L195-E197 VanDerWaalsContact C-N 3.3Å; L195-E197 PolarHBondContact O-N 3Å | ||
| 198 | I | 82.1 | Confident | 82.4 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | trans | -67.3 | 132.8 | -179.1 | -60.3 | 160.8 | 0 | 0 | 0 | 109.9 | N196 D202 L250 R253 A254 N257 | N196-I198 PolarHBondContact O-N 2.81Å; I198-D202 HydrophobicContact CG2-CB 4.08Å; I198-L250 HydrophobicContact CD1-CD1 3.97Å; I198-L250 HydrophobicContact CG1-CD1 4.46Å; I198-L250 HydrophobicContact CG2-CD1 4.04Å; I198-L250 HydrophobicContact CG2-CG 4.06Å; I198-R253 HydrophobicContact CD1-CB 4.31Å; I198-A254 HydrophobicContact CG2-CB 4.01Å; I198-N257 PolarHBondContact N-ND2 2.78Å; I198-N257 WeakPolarHBondContact O-CB 3.4Å; I198-N257 PolarHBondContact O-ND2 2.71Å | ||
| 199 | G | 84.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -128.5 | -172 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | D201 D202 | G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 2.85Å; G199-D202 PolarHBondContact N-OD2 2.8Å; G199-D202 WeakPolarHBondContact O-CB 3.3Å; G199-D202 PolarHBondContact O-N 3.19Å | ||
| 200 | Y | 85 | Confident | 82.8 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -66.5 | -28.4 | -179.4 | -67.3 | -47.1 | 0 | 0 | 0 | 113.8 | D202 I203 L210 K214 A254 V255 E258 | Y200-D202 PolarHBondContact O-N 3.17Å; Y200-I203 HydrophobicContact CD1-CD1 4.47Å; Y200-I203 PolarHBondContact O-N 3.36Å; Y200-L210 HydrophobicContact CD1-CD1 4.07Å; Y200-L210 HydrophobicContact CD1-CD2 3.72Å; Y200-L210 HydrophobicContact CD1-CG 4.43Å; Y200-L210 HydrophobicContact CE1-CD2 3.8Å; Y200-K214 HydrophobicContact CE2-CD 4.27Å; Y200-K214 HydrophobicContact CE2-CG 4.24Å; Y200-K214 VanDerWaalsContact CZ-CE 3.47Å; Y200-A254 HydrophobicContact CD1-CB 4.26Å; Y200-A254 HydrophobicContact CE1-CB 4.49Å; Y200-V255 HydrophobicContact CE1-CG2 3.75Å; Y200-E258 HydrophobicContact CD1-CG 4.45Å; Y200-E258 HydrophobicContact CD2-CB 4Å; Y200-E258 HydrophobicContact CD2-CG 3.46Å; Y200-E258 VanDerWaalsContact CD2-CG 3.46Å; Y200-E258 HydrophobicContact CE1-CG 4.43Å; Y200-E258 HydrophobicContact CE2-CB 3.4Å; Y200-E258 VanDerWaalsContact CE2-CB 3.4Å; Y200-E258 HydrophobicContact CE2-CG 3.44Å; Y200-E258 VanDerWaalsContact CE2-CG 3.44Å; Y200-E258 HydrophobicContact CG-CG 4Å |
| 201 | D | 83.9 | Confident | 83.1 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -71.9 | -7.9 | 178.1 | -66.4 | -11.2 | 0 | 0 | 0 | 112.6 | K59 G199 | K59-D201 WeakPolarHBondContact CD-OD2 3.35Å; K59-D201 WeakPolarHBondContact CE-OD2 3.24Å; K59-D201 IonicContact NZ-OD2 3.49Å; G199-D201 VanDerWaalsContact C-N 3.26Å; G199-D201 PolarHBondContact O-N 2.85Å |
| 202 | D | 87.2 | Confident | 83.6 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -93.4 | 4 | 174.5 | -58.7 | -62.6 | 0 | 0 | 0 | 112.5 | I198 G199 Y200 R383 | I198-D202 HydrophobicContact CG2-CB 4.08Å; G199-D202 PolarHBondContact N-OD2 2.8Å; G199-D202 WeakPolarHBondContact O-CB 3.3Å; G199-D202 PolarHBondContact O-N 3.19Å; Y200-D202 PolarHBondContact O-N 3.17Å; D202-R383 IonicContact OD1-CZ 3.29Å; D202-R383 IonicContact OD1-NH1 3.73Å; D202-R383 PolarHBondContact OD1-NH1 3.47Å; D202-R383 IonicContact OD1-NH2 2.69Å; D202-R383 PolarHBondContact OD1-NH2 2.86Å |
| 203 | I | 91.6 | Very high | 84.3 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | trans | -119.1 | 116.2 | -176.1 | -54.1 | 174.6 | 0 | 0 | 0 | 110.5 | Y200 C206 L210 L250 V251 A254 | Y200-I203 HydrophobicContact CD1-CD1 4.47Å; Y200-I203 PolarHBondContact O-N 3.36Å; I203-C206 HydrophobicContact CG2-CB 3.73Å; I203-L210 HydrophobicContact CB-CD1 4.15Å; I203-L210 HydrophobicContact CD1-CD1 4.33Å; I203-L210 HydrophobicContact CD1-CD2 3.93Å; I203-L210 HydrophobicContact CG2-CD1 4.13Å; I203-L250 HydrophobicContact CG1-CD2 3.81Å; I203-L250 HydrophobicContact CG1-CG 4.43Å; I203-V251 HydrophobicContact CD1-CB 4.3Å; I203-V251 HydrophobicContact CD1-CG2 3.92Å; I203-V251 HydrophobicContact CG2-CG2 4.11Å; I203-A254 HydrophobicContact CD1-CB 3.43Å; I203-A254 VanDerWaalsContact CD1-CB 3.43Å; I203-A254 HydrophobicContact CG1-CB 4.35Å | ||
| 204 | G | 91.9 | Very high | 84.9 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | trans | -100.2 | 152.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C206 I380 | G204-C206 PolarHBondContact O-N 3.23Å; G204-C206 VanDerWaalsContact O-N 3.14Å; G204-I380 VanDerWaalsContact N-CD1 3.33Å | ||
| 205 | G | 90.2 | Very high | 85.6 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 74 | -2.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E376 | G205-E376 PolarHBondContact N-OE2 3.45Š|
| 206 | C | 91.8 | Very high | 86.7 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.081 | 30% | 0.304 | C | S | . | . | trans | -111.2 | 24.2 | -172.4 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | I203 G204 K208 Q209 L210 | I203-C206 HydrophobicContact CG2-CB 3.73Å; G204-C206 PolarHBondContact O-N 3.23Å; G204-C206 VanDerWaalsContact O-N 3.14Å; C206-K208 PolarHBondContact O-N 2.99Å; C206-Q209 VanDerWaalsContact C-OE1 3.28Å; C206-Q209 HydrophobicContact CB-CB 4.37Å; C206-Q209 PolarHBondContact O-N 3.47Å; C206-Q209 PolarHBondContact O-OE1 3.24Å; C206-L210 HydrophobicContact CB-CG 4.33Å; C206-L210 WeakPolarHBondContact O-CB 3.32Å; C206-L210 WeakPolarHBondContact O-CG 3.5Å; C206-L210 PolarHBondContact O-N 3.35Å | ||
| 207 | R | 87.4 | Confident | 87.9 | Confident | 206 Ų | 206 | 55.1 Ų | 55.1 | 78% | 0.777 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.1 | -42 | -171.2 | -174.5 | 175.1 | 175.7 | 165.2 | -1.1 | 113.8 | A211 | R207-A211 PolarHBondContact O-N 3.04Å; R207-A211 VanDerWaalsContact O-N 3.13Å |
| 208 | K | 87.9 | Confident | 88.3 | Confident | 172 Ų | 172 | 52.1 Ų | 52.1 | 75% | 0.748 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 179.3 | -69.2 | 177.3 | -178.1 | 168.7 | 0 | 111 | C206 A211 Q212 | C206-K208 PolarHBondContact O-N 2.99Å; K208-A211 WeakPolarHBondContact O-CB 3.43Å; K208-A211 PolarHBondContact O-N 3.22Å; K208-Q212 PolarHBondContact O-N 2.95Å |
| 209 | Q | 91.3 | Very high | 88.4 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 178.9 | -64.6 | 77.5 | 0.1 | 0 | 0 | 110.5 | C206 A211 Q212 I213 I364 E365 I366 | C206-Q209 VanDerWaalsContact C-OE1 3.28Å; C206-Q209 HydrophobicContact CB-CB 4.37Å; C206-Q209 PolarHBondContact O-N 3.47Å; C206-Q209 PolarHBondContact O-OE1 3.24Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 2.98Å; Q209-Q212 PolarHBondContact O-N 3.21Å; Q209-I213 VanDerWaalsContact O-CG1 3.28Å; Q209-I213 WeakPolarHBondContact O-CG1 3.33Å; Q209-I213 PolarHBondContact O-N 3.13Å; Q209-I364 HydrophobicContact CB-CG2 3.87Å; Q209-I364 HydrophobicContact CG-CG2 3.79Å; Q209-E365 VanDerWaalsContact CG-O 3.29Å; Q209-E365 WeakPolarHBondContact CG-O 3.4Å; Q209-E365 PolarHBondContact NE2-O 3.33Å; Q209-I366 HydrophobicContact CB-CD1 3.81Å; Q209-I366 HydrophobicContact CG-CD1 3.77Å |
| 210 | L | 90.3 | Very high | 88.4 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 175.7 | -72.1 | 179.9 | 0 | 0 | 0 | 112.5 | Y200 I203 C206 I213 K214 V251 | Y200-L210 HydrophobicContact CD1-CD1 4.07Å; Y200-L210 HydrophobicContact CD1-CD2 3.72Å; Y200-L210 HydrophobicContact CD1-CG 4.43Å; Y200-L210 HydrophobicContact CE1-CD2 3.8Å; I203-L210 HydrophobicContact CB-CD1 4.15Å; I203-L210 HydrophobicContact CD1-CD1 4.33Å; I203-L210 HydrophobicContact CD1-CD2 3.93Å; I203-L210 HydrophobicContact CG2-CD1 4.13Å; C206-L210 HydrophobicContact CB-CG 4.33Å; C206-L210 WeakPolarHBondContact O-CB 3.32Å; C206-L210 WeakPolarHBondContact O-CG 3.5Å; C206-L210 PolarHBondContact O-N 3.35Å; L210-I213 PolarHBondContact O-N 2.88Å; L210-K214 WeakPolarHBondContact O-CB 3.47Å; L210-K214 WeakPolarHBondContact O-CG 3.47Å; L210-K214 PolarHBondContact O-N 3.22Å; L210-V251 HydrophobicContact CD2-CG1 4.06Å |
| 211 | A | 88.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 49% | 0.488 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R207 K208 Q209 K214 E215 | R207-A211 PolarHBondContact O-N 3.04Å; R207-A211 VanDerWaalsContact O-N 3.13Å; K208-A211 WeakPolarHBondContact O-CB 3.43Å; K208-A211 PolarHBondContact O-N 3.22Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 2.98Å; A211-K214 PolarHBondContact O-N 2.81Å; A211-E215 PolarHBondContact O-N 3.06Å; A211-E215 VanDerWaalsContact O-N 3.13Å |
| 212 | Q | 91.2 | Very high | 88.1 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.1 | -68.3 | 176.4 | -12 | 0 | 0 | 111.3 | K208 Q209 K214 E215 M216 I364 | K208-Q212 PolarHBondContact O-N 2.95Å; Q209-Q212 PolarHBondContact O-N 3.21Å; Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.47Å; Q212-E215 PolarHBondContact O-N 3.09Å; Q212-M216 HydrophobicContact CB-SD 4.14Å; Q212-M216 VanDerWaalsContact O-CB 3.31Å; Q212-M216 WeakPolarHBondContact O-CB 3.31Å; Q212-M216 WeakPolarHBondContact O-CG 3.41Å; Q212-M216 PolarHBondContact O-N 3.32Å; Q212-I364 HydrophobicContact CB-CD1 3.99Å |
| 213 | I | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 179.5 | -64 | 168 | 0 | 0 | 0 | 111.3 | Q209 L210 E215 M216 V217 E218 L240 V251 V255 M341 I364 | Q209-I213 VanDerWaalsContact O-CG1 3.28Å; Q209-I213 WeakPolarHBondContact O-CG1 3.33Å; Q209-I213 PolarHBondContact O-N 3.13Å; L210-I213 PolarHBondContact O-N 2.88Å; I213-E215 VanDerWaalsContact C-N 3.35Å; I213-E215 PolarHBondContact O-N 3.46Å; I213-M216 PolarHBondContact O-N 3.07Å; I213-V217 HydrophobicContact CG2-CB 4.15Å; I213-V217 HydrophobicContact CG2-CG2 3.79Å; I213-V217 WeakPolarHBondContact O-CA 3.48Å; I213-V217 VanDerWaalsContact O-CB 3.29Å; I213-V217 WeakPolarHBondContact O-CB 3.25Å; I213-V217 PolarHBondContact O-N 3Å; I213-E218 PolarHBondContact O-N 3.11Å; I213-L240 HydrophobicContact CD1-CD2 4.05Å; I213-V251 HydrophobicContact CD1-CG1 3.34Å; I213-V255 HydrophobicContact CB-CG2 4.43Å; I213-V255 HydrophobicContact CG2-CB 4.2Å; I213-V255 HydrophobicContact CG2-CG1 3.76Å; I213-V255 HydrophobicContact CG2-CG2 3.38Å; I213-M341 HydrophobicContact CG2-CE 4.37Å; I213-I364 HydrophobicContact CD1-CD1 4.34Å; I213-I364 HydrophobicContact CG1-CD1 3.5Å; I213-I364 VanDerWaalsContact CG1-CD1 3.5Å |
| 214 | K | 86.1 | Confident | 87.1 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -59.7 | -44.5 | 173.5 | -78 | 173.1 | 175.7 | 179.3 | 0 | 112 | Y200 L210 A211 Q212 E218 L219 | Y200-K214 HydrophobicContact CE2-CD 4.27Å; Y200-K214 HydrophobicContact CE2-CG 4.24Å; Y200-K214 VanDerWaalsContact CZ-CE 3.47Å; L210-K214 WeakPolarHBondContact O-CB 3.47Å; L210-K214 WeakPolarHBondContact O-CG 3.47Å; L210-K214 PolarHBondContact O-N 3.22Å; A211-K214 PolarHBondContact O-N 2.81Å; Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.47Å; K214-E218 VanDerWaalsContact O-CB 3.31Å; K214-E218 WeakPolarHBondContact O-CB 3.46Å; K214-E218 PolarHBondContact O-N 3.47Å; K214-L219 WeakPolarHBondContact O-CB 3.35Å; K214-L219 PolarHBondContact O-N 3.35Å |
| 215 | E | 86.7 | Confident | 86.5 | Confident | 128 Ų | 128 | 61.8 Ų | 61.8 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -65.9 | -38.7 | 177.7 | -174.9 | -174.7 | 162.7 | 0 | 0 | 112.3 | A211 Q212 I213 P220 | A211-E215 PolarHBondContact O-N 3.06Å; A211-E215 VanDerWaalsContact O-N 3.13Å; Q212-E215 PolarHBondContact O-N 3.09Å; I213-E215 VanDerWaalsContact C-N 3.35Å; I213-E215 PolarHBondContact O-N 3.46Å; E215-P220 WeakPolarHBondContact O-CD 3.34Å |
| 216 | M | 88.6 | Confident | 85.9 | Confident | 26 Ų | 26 | 65 Ų | 65 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -95.3 | -23.8 | -167.9 | -62.6 | 166.3 | 72.5 | 0 | 0 | 113.6 | Q212 I213 P220 P235 I238 R362 I364 | Q212-M216 HydrophobicContact CB-SD 4.14Å; Q212-M216 VanDerWaalsContact O-CB 3.31Å; Q212-M216 WeakPolarHBondContact O-CB 3.31Å; Q212-M216 WeakPolarHBondContact O-CG 3.41Å; Q212-M216 PolarHBondContact O-N 3.32Å; I213-M216 PolarHBondContact O-N 3.07Å; M216-P220 WeakPolarHBondContact O-CG 3.43Å; M216-P235 HydrophobicContact CB-CG 3.96Å; M216-P235 VanDerWaalsContact O-CG 3.27Å; M216-P235 WeakPolarHBondContact O-CG 3.44Å; M216-I238 HydrophobicContact CB-CD1 3.63Å; M216-I238 HydrophobicContact CE-CD1 4.28Å; M216-R362 HydrophobicContact CE-CB 3.29Å; M216-R362 HydrophobicContact CE-CG 3.13Å; M216-I364 HydrophobicContact SD-CD1 4.34Å |
| 217 | V | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -114.6 | -57.5 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | I213 P220 L221 I238 V255 I297 I339 M341 | I213-V217 HydrophobicContact CG2-CB 4.15Å; I213-V217 HydrophobicContact CG2-CG2 3.79Å; I213-V217 WeakPolarHBondContact O-CA 3.48Å; I213-V217 VanDerWaalsContact O-CB 3.29Å; I213-V217 WeakPolarHBondContact O-CB 3.25Å; I213-V217 PolarHBondContact O-N 3Å; V217-P220 WeakPolarHBondContact O-CD 2.97Å; V217-L221 HydrophobicContact CG1-CD1 3.88Å; V217-L221 WeakPolarHBondContact O-CD1 3.1Å; V217-L221 VanDerWaalsContact O-CG 3.25Å; V217-L221 WeakPolarHBondContact O-CG 3.45Å; V217-L221 PolarHBondContact O-N 3.43Å; V217-I238 HydrophobicContact CG2-CD1 3.2Å; V217-I238 HydrophobicContact CG2-CG1 4.36Å; V217-V255 HydrophobicContact CB-CG1 4.02Å; V217-V255 HydrophobicContact CG1-CG1 3.74Å; V217-I297 HydrophobicContact CG1-CD1 3.57Å; V217-I297 HydrophobicContact CG1-CG1 4.14Å; V217-I339 HydrophobicContact CB-CD1 4.43Å; V217-I339 HydrophobicContact CG1-CD1 4.16Å; V217-I339 HydrophobicContact CG1-CG2 4.27Å; V217-I339 HydrophobicContact CG2-CG2 4.29Å; V217-M341 HydrophobicContact CG1-SD 4.26Å; V217-M341 HydrophobicContact CG2-CG 4.43Å; V217-M341 HydrophobicContact CG2-SD 4.06Å |
| 218 | E | 84.5 | Confident | 84.8 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -69.3 | -47.9 | -169.9 | -156.4 | -151.3 | 129.9 | 0 | 0 | 112.1 | R61 I213 K214 L221 R222 | R61-E218 IonicContact CZ-OE1 3.24Å; R61-E218 IonicContact NH1-OE1 3.43Å; R61-E218 PolarHBondContact NH1-OE1 3.18Å; R61-E218 IonicContact NH2-OE1 3.97Å; R61-E218 PolarHBondContact NH2-OE1 3.11Å; R61-E218 IonicContact NH2-OE2 3.61Å; R61-E218 PolarHBondContact NH2-OE2 2.93Å; R61-E218 VanDerWaalsContact NH2-OE2 3.11Å; I213-E218 PolarHBondContact O-N 3.11Å; K214-E218 VanDerWaalsContact O-CB 3.31Å; K214-E218 WeakPolarHBondContact O-CB 3.46Å; K214-E218 PolarHBondContact O-N 3.47Å; E218-L221 PolarHBondContact O-N 2.74Å; E218-R222 HydrophobicContact CG-CG 4.24Å; E218-R222 VanDerWaalsContact O-CB 3.31Å; E218-R222 WeakPolarHBondContact O-CB 3.21Å; E218-R222 VanDerWaalsContact O-CG 3.27Å; E218-R222 WeakPolarHBondContact O-CG 3.31Å; E218-R222 PolarHBondContact O-N 3.4Å |
| 219 | L | 84 | Confident | 84.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | -177.2 | -178.2 | 69.2 | 0 | 0 | 0 | 112.4 | K214 H223 L226 F227 | K214-L219 WeakPolarHBondContact O-CB 3.35Å; K214-L219 PolarHBondContact O-N 3.35Å; L219-H223 HydrophobicContact CD1-CB 4.26Å; L219-H223 WeakPolarHBondContact O-CA 3.37Å; L219-H223 WeakPolarHBondContact O-CB 3.29Å; L219-H223 PolarHBondContact O-N 2.78Å; L219-L226 HydrophobicContact CD1-CD1 3.97Å; L219-F227 HydrophobicContact CD2-CE2 4.33Å; L219-F227 HydrophobicContact CD2-CZ 4.29Å; L219-F227 HydrophobicContact CG-CE2 4Å; L219-F227 HydrophobicContact CG-CZ 4.38Å |
| 220 | P | 83.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 173.8 | -23.2 | 29.1 | 0 | 0 | 0 | 115.3 | E215 M216 V217 P224 F227 P234 I339 | E215-P220 WeakPolarHBondContact O-CD 3.34Å; M216-P220 WeakPolarHBondContact O-CG 3.43Å; V217-P220 WeakPolarHBondContact O-CD 2.97Å; P220-P224 WeakPolarHBondContact O-CA 3.44Å; P220-P224 WeakPolarHBondContact O-CD 3.16Å; P220-F227 VanDerWaalsContact CA-CE2 3.48Å; P220-F227 HydrophobicContact CB-CD2 4.26Å; P220-F227 HydrophobicContact CB-CE2 3.9Å; P220-F227 HydrophobicContact CB-CZ 4.23Å; P220-F227 HydrophobicContact CG-CD2 4.46Å; P220-F227 HydrophobicContact CG-CE1 4.23Å; P220-F227 HydrophobicContact CG-CE2 3.68Å; P220-F227 HydrophobicContact CG-CZ 3.56Å; P220-P234 HydrophobicContact CB-CB 3.63Å; P220-P234 HydrophobicContact CB-CG 4.32Å; P220-P234 HydrophobicContact CG-CB 3.76Å; P220-I339 HydrophobicContact CB-CD1 4.22Å; P220-I339 HydrophobicContact CG-CD1 4.42Å |
| 221 | L | 85.7 | Confident | 83.1 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.2 | -35.8 | -178.4 | -67.6 | 173.6 | 0 | 0 | 0 | 111.4 | V217 E218 S261 P295 I297 H337 I339 | V217-L221 HydrophobicContact CG1-CD1 3.88Å; V217-L221 WeakPolarHBondContact O-CD1 3.1Å; V217-L221 VanDerWaalsContact O-CG 3.25Å; V217-L221 WeakPolarHBondContact O-CG 3.45Å; V217-L221 PolarHBondContact O-N 3.43Å; E218-L221 PolarHBondContact O-N 2.74Å; L221-S261 WeakPolarHBondContact CD1-OG 3.43Å; L221-P295 HydrophobicContact CB-CB 4.43Å; L221-P295 HydrophobicContact CD2-CB 4.05Å; L221-I297 HydrophobicContact CD1-CD1 3.94Å; L221-I297 HydrophobicContact CD1-CG1 3.69Å; L221-H337 WeakPolarHBondContact CD2-O 3.31Å; L221-I339 HydrophobicContact CD1-CD1 4.13Å; L221-I339 HydrophobicContact CD2-CD1 4.09Å; L221-I339 HydrophobicContact CD2-CG1 4.12Å; L221-I339 HydrophobicContact CG-CD1 3.8Å; L221-I339 HydrophobicContact CG-CG1 4.34Å |
| 222 | R | 77.9 | Confident | 82.6 | Confident | 123 Ų | 123 | 65.7 Ų | 65.7 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -87.4 | -36 | -177.8 | -69.4 | -93.7 | -69.7 | -179.5 | -3.9 | 113.8 | E218 | E218-R222 HydrophobicContact CG-CG 4.24Å; E218-R222 VanDerWaalsContact O-CB 3.31Å; E218-R222 WeakPolarHBondContact O-CB 3.21Å; E218-R222 VanDerWaalsContact O-CG 3.27Å; E218-R222 WeakPolarHBondContact O-CG 3.31Å; E218-R222 PolarHBondContact O-N 3.4Å |
| 223 | H | 78.3 | Confident | 82.1 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 33% | 0.329 | 36% | 0.358 | S | S | . | . | trans | -128.8 | 54.8 | -173.7 | -59.1 | -72.1 | 0 | 0 | 0 | 112.2 | L219 Q225 L226 | L219-H223 HydrophobicContact CD1-CB 4.26Å; L219-H223 WeakPolarHBondContact O-CA 3.37Å; L219-H223 WeakPolarHBondContact O-CB 3.29Å; L219-H223 PolarHBondContact O-N 2.78Å; H223-Q225 VanDerWaalsContact CA-OE1 3.27Å; H223-Q225 PolarHBondContact O-N 3.17Å; H223-L226 HydrophobicContact CB-CD1 3.6Å; H223-L226 HydrophobicContact CB-CG 3.92Å; H223-L226 WeakPolarHBondContact O-CB 3.36Å; H223-L226 PolarHBondContact O-N 3.31Å | ||
| 224 | P | 78.8 | Confident | 81.6 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 20% | 0.201 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -25.6 | -178.3 | 24.5 | -34.9 | 0 | 0 | 0 | 113.6 | P220 L226 F227 K228 H337 | P220-P224 WeakPolarHBondContact O-CA 3.44Å; P220-P224 WeakPolarHBondContact O-CD 3.16Å; P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.09Å; P224-F227 PolarHBondContact O-N 2.79Å; P224-K228 WeakPolarHBondContact O-CG 3.31Å; P224-K228 PolarHBondContact O-N 3.39Å; P224-H337 WeakPolarHBondContact CB-CE1 3.5Å |
| 225 | Q | 80.6 | Confident | 81.5 | Confident | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -31.4 | 174.7 | 68.2 | -80.9 | 19.5 | 0 | 0 | 113.1 | H223 K228 A229 | H223-Q225 VanDerWaalsContact CA-OE1 3.27Å; H223-Q225 PolarHBondContact O-N 3.17Å; Q225-K228 PolarHBondContact O-N 2.85Å; Q225-A229 WeakPolarHBondContact O-CB 3.24Å; Q225-A229 PolarHBondContact O-N 2.9Å |
| 226 | L | 76.7 | Confident | 81.5 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.4 | -67.2 | 176.9 | 0 | 0 | 0 | 110.6 | L219 H223 P224 A229 I230 | L219-L226 HydrophobicContact CD1-CD1 3.97Å; H223-L226 HydrophobicContact CB-CD1 3.6Å; H223-L226 HydrophobicContact CB-CG 3.92Å; H223-L226 WeakPolarHBondContact O-CB 3.36Å; H223-L226 PolarHBondContact O-N 3.31Å; P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.09Å; L226-A229 PolarHBondContact O-N 3.47Å; L226-I230 VanDerWaalsContact O-CG2 3.28Å; L226-I230 WeakPolarHBondContact O-CG2 3.23Å; L226-I230 PolarHBondContact O-N 3.48Å |
| 227 | F | 78.6 | Confident | 81.6 | Confident | 31 Ų | 31 | 64 Ų | 64 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 177 | -68.9 | -92.6 | 0 | 0 | 0 | 111.9 | L219 P220 P224 G231 V232 P234 | L219-F227 HydrophobicContact CD2-CE2 4.33Å; L219-F227 HydrophobicContact CD2-CZ 4.29Å; L219-F227 HydrophobicContact CG-CE2 4Å; L219-F227 HydrophobicContact CG-CZ 4.38Å; P220-F227 VanDerWaalsContact CA-CE2 3.48Å; P220-F227 HydrophobicContact CB-CD2 4.26Å; P220-F227 HydrophobicContact CB-CE2 3.9Å; P220-F227 HydrophobicContact CB-CZ 4.23Å; P220-F227 HydrophobicContact CG-CD2 4.46Å; P220-F227 HydrophobicContact CG-CE1 4.23Å; P220-F227 HydrophobicContact CG-CE2 3.68Å; P220-F227 HydrophobicContact CG-CZ 3.56Å; P224-F227 PolarHBondContact O-N 2.79Å; F227-G231 PolarHBondContact O-N 3.01Å; F227-V232 HydrophobicContact CD1-CG2 3.76Å; F227-V232 HydrophobicContact CE1-CG2 4.36Å; F227-V232 PolarHBondContact O-N 3.1Å; F227-P234 HydrophobicContact CD1-CB 3.92Å; F227-P234 HydrophobicContact CE1-CB 4.08Å; F227-P234 HydrophobicContact CG-CB 4.35Å |
| 228 | K | 77.8 | Confident | 81.9 | Confident | 142 Ų | 142 | 64 Ų | 64 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 173.6 | -71.7 | 177 | -177.1 | 174.4 | 0 | 112.1 | P224 Q225 G231 | P224-K228 WeakPolarHBondContact O-CG 3.31Å; P224-K228 PolarHBondContact O-N 3.39Å; Q225-K228 PolarHBondContact O-N 2.85Å; K228-G231 PolarHBondContact O-N 3.26Å |
| 229 | A | 76.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.1 | -41.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q225 L226 G231 | Q225-A229 WeakPolarHBondContact O-CB 3.24Å; Q225-A229 PolarHBondContact O-N 2.9Å; L226-A229 PolarHBondContact O-N 3.47Å; A229-G231 VanDerWaalsContact C-N 3.32Å |
| 230 | I | 78.1 | Confident | 83 | Confident | 125 Ų | 125 | 60 Ų | 60 | 64% | 0.641 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -81.3 | -12.7 | 177.4 | -159.5 | 168.5 | 0 | 0 | 0 | 113 | L226 V232 | L226-I230 VanDerWaalsContact O-CG2 3.28Å; L226-I230 WeakPolarHBondContact O-CG2 3.23Å; L226-I230 PolarHBondContact O-N 3.48Å; I230-V232 HydrophobicContact CG2-CB 4.11Å; I230-V232 HydrophobicContact CG2-CG1 4.07Å; I230-V232 HydrophobicContact CG2-CG2 3.37Å; I230-V232 PolarHBondContact O-N 3.09Å |
| 231 | G | 79.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 15.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F227 K228 A229 | F227-G231 PolarHBondContact O-N 3.01Å; K228-G231 PolarHBondContact O-N 3.26Å; A229-G231 VanDerWaalsContact C-N 3.32Å |
| 232 | V | 78.9 | Confident | 83.2 | Confident | 71 Ų | 71 | 61 Ų | 61 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 144 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | F227 I230 | F227-V232 HydrophobicContact CD1-CG2 3.76Å; F227-V232 HydrophobicContact CE1-CG2 4.36Å; F227-V232 PolarHBondContact O-N 3.1Å; I230-V232 HydrophobicContact CG2-CB 4.11Å; I230-V232 HydrophobicContact CG2-CG1 4.07Å; I230-V232 HydrophobicContact CG2-CG2 3.37Å; I230-V232 PolarHBondContact O-N 3.09Å |
| 233 | K | 79.6 | Confident | 83.4 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -84 | 130.1 | 177.1 | -66.2 | 179.4 | -179.4 | 173.4 | 0 | 109.5 | ||
| 234 | P | 82.2 | Confident | 83.8 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 155.8 | 172.8 | 30 | -34.3 | 0 | 0 | 0 | 110.5 | P220 F227 | P220-P234 HydrophobicContact CB-CB 3.63Å; P220-P234 HydrophobicContact CB-CG 4.32Å; P220-P234 HydrophobicContact CG-CB 3.76Å; F227-P234 HydrophobicContact CD1-CB 3.92Å; F227-P234 HydrophobicContact CE1-CB 4.08Å; F227-P234 HydrophobicContact CG-CB 4.35Å |
| 235 | P | 84 | Confident | 84.3 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 143.4 | 174.8 | 28.4 | -33.7 | 0 | 0 | 0 | 110.4 | M216 R362 | M216-P235 HydrophobicContact CB-CG 3.96Å; M216-P235 VanDerWaalsContact O-CG 3.27Å; M216-P235 WeakPolarHBondContact O-CG 3.44Å; P235-R362 HydrophobicContact CB-CG 4.11Å |
| 236 | R | 85.7 | Confident | 84.8 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -96 | -32 | -178.5 | -67.7 | -179.1 | 175.2 | -166 | -7.4 | 112.7 | D330 L332 V340 | R236-D330 PolarHBondContact NH1-O 3.26Å; R236-L332 PolarHBondContact NH1-O 2.72Å; R236-L332 VanDerWaalsContact NH1-O 3.1Å; R236-L332 PolarHBondContact NH2-O 3.15Å; R236-V340 PolarHBondContact O-N 3.15Å |
| 237 | G | 92.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V340 R359 | G237-V340 CarbonylContact C-O 3.59Å; G237-V340 WeakPolarHBondContact CA-O 3.15Å; G237-R359 CarbonylContact C-O 3.6Å; G237-R359 WeakPolarHBondContact CA-O 3.43Å; G237-R359 PolarHBondContact N-O 2.73Å; G237-R359 VanDerWaalsContact N-O 3.09Å |
| 238 | I | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.8 | 170 | -54.1 | -176.1 | 0 | 0 | 0 | 109.3 | M216 V217 L240 V340 M341 A342 R362 I364 | M216-I238 HydrophobicContact CB-CD1 3.63Å; M216-I238 HydrophobicContact CE-CD1 4.28Å; V217-I238 HydrophobicContact CG2-CD1 3.2Å; V217-I238 HydrophobicContact CG2-CG1 4.36Å; I238-L240 HydrophobicContact CG2-CD2 4.07Å; I238-V340 PolarHBondContact N-O 3.24Å; I238-M341 HydrophobicContact CB-CG 4.47Å; I238-M341 CarbonylContact O-C 3.54Å; I238-M341 WeakPolarHBondContact O-CA 3.2Å; I238-A342 PolarHBondContact O-N 3.35Å; I238-R362 CarbonylContact C-O 3.39Å; I238-R362 WeakPolarHBondContact CA-O 3.16Å; I238-R362 HydrophobicContact CG1-CB 4.26Å; I238-I364 HydrophobicContact CG2-CD1 3.85Å; I238-I364 HydrophobicContact CG2-CG1 4.08Å |
| 239 | L | 96.6 | Very high | 87 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114 | 173.2 | -178.2 | 64.6 | 0 | 0 | 0 | 110.2 | L303 A342 T344 R355 F360 R362 E363 I364 | L239-L303 HydrophobicContact CD1-CD2 3.69Å; L239-A342 CarbonylContact C-O 3.48Å; L239-A342 HydrophobicContact CD1-CB 3.99Å; L239-T344 HydrophobicContact CD1-CG2 3.82Å; L239-T344 HydrophobicContact CD2-CG2 4.42Å; L239-T344 HydrophobicContact CG-CG2 4.31Å; L239-R355 HydrophobicContact CD2-CG 4.33Å; L239-F360 HydrophobicContact CB-CB 3.96Å; L239-F360 HydrophobicContact CB-CD1 4.49Å; L239-F360 HydrophobicContact CB-CG 4.27Å; L239-R362 PolarHBondContact N-O 3.05Å; L239-E363 HydrophobicContact CB-CG 4.3Å; L239-E363 HydrophobicContact CD2-CG 4.39Å; L239-E363 CarbonylContact O-C 3.53Å; L239-E363 VanDerWaalsContact O-CA 3.29Å; L239-E363 WeakPolarHBondContact O-CA 3.16Å; L239-I364 PolarHBondContact O-N 2.82Å |
| 240 | L | 96.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.3 | 167.8 | -51 | -174.8 | 0 | 0 | 0 | 108.8 | I213 I238 K248 V251 F299 M341 A342 A343 T344 I364 I366 | I213-L240 HydrophobicContact CD1-CD2 4.05Å; I238-L240 HydrophobicContact CG2-CD2 4.07Å; L240-K248 HydrophobicContact CB-CB 4.33Å; L240-K248 HydrophobicContact CB-CD 4.26Å; L240-K248 HydrophobicContact CB-CG 4.17Å; L240-K248 HydrophobicContact CD1-CB 4.42Å; L240-V251 HydrophobicContact CD1-CG1 4.3Å; L240-F299 HydrophobicContact CD1-CE2 4.4Å; L240-M341 HydrophobicContact CD1-CE 3.84Å; L240-M341 HydrophobicContact CD2-CE 4.47Å; L240-M341 HydrophobicContact CG-CE 4.35Å; L240-A342 PolarHBondContact N-O 3.45Å; L240-A343 CarbonylContact O-C 3.59Å; L240-A343 VanDerWaalsContact O-CA 3.28Å; L240-A343 WeakPolarHBondContact O-CA 3.37Å; L240-T344 PolarHBondContact O-N 2.8Å; L240-I364 WeakPolarHBondContact CA-O 3.31Å; L240-I364 HydrophobicContact CD2-CB 3.94Å; L240-I364 HydrophobicContact CD2-CG2 4.44Å; L240-I366 HydrophobicContact CB-CG1 4.32Å |
| 241 | Y | 89.7 | Confident | 88.5 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.2 | 177 | 72.3 | -84.6 | 0 | 0 | 0 | 112.1 | T344 P347 E363 I364 E365 I366 | Y241-T344 VanDerWaalsContact CA-O 3.3Å; Y241-T344 WeakPolarHBondContact CA-O 3.46Å; Y241-P347 HydrophobicContact CD2-CB 4.39Å; Y241-P347 HydrophobicContact CD2-CG 3.89Å; Y241-P347 HydrophobicContact CG-CB 4.24Å; Y241-P347 HydrophobicContact CG-CG 4.21Å; Y241-E363 HydrophobicContact CD1-CB 4.15Å; Y241-E363 HydrophobicContact CE1-CB 3.8Å; Y241-I364 PolarHBondContact N-O 3.3Å; Y241-E365 HydrophobicContact CD2-CG 4.26Å; Y241-E365 HydrophobicContact CE1-CB 4.01Å; Y241-E365 HydrophobicContact CE2-CB 3.89Å; Y241-E365 HydrophobicContact CE2-CG 3.71Å; Y241-E365 CarbonylContact O-C 3.42Å; Y241-E365 WeakPolarHBondContact O-CA 3.41Å; Y241-I366 PolarHBondContact O-N 3.13Å |
| 242 | G | 84.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 145.3 | 177 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K248 T344 N345 | G242-K248 PolarHBondContact O-NZ 3.49Å; G242-T344 PolarHBondContact N-O 2.87Å; G242-N345 WeakPolarHBondContact O-CA 3.38Å; G242-N345 PolarHBondContact O-OD1 2.66Å |
| 243 | P | 81.4 | Confident | 89.5 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -54.4 | 155.8 | -176.1 | -26.5 | 34.3 | 0 | 0 | 0 | 114.1 | T246 K248 I368 A460 Q565 | P243-T246 HydrophobicContact CB-CG2 3.97Å; P243-T246 HydrophobicContact CG-CG2 4.37Å; P243-T246 WeakPolarHBondContact O-CG2 3.38Å; P243-T246 PolarHBondContact O-OG1 3.31Å; P243-T246 VanDerWaalsContact O-OG1 3.05Å; P243-K248 PolarHBondContact O-NZ 3.35Å; P243-I368 HydrophobicContact CG-CD1 4.48Å; P243-I368 HydrophobicContact CG-CG1 3.97Å; P243-A460 HydrophobicContact CB-CB 4.01Å; P243-A460 HydrophobicContact CG-CB 4.5Å; P243-Q565 HydrophobicContact CG-CB 4.31Å |
| 244 | P | 85.9 | Confident | 89.9 | Confident | 66 Ų | 66 | 25.2 Ų | 25.2 | 43% | 0.429 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 148.6 | 171.8 | 27 | -34.2 | 0 | 0 | 0 | 110.8 | T246 N345 | P244-T246 VanDerWaalsContact C-N 3.33Å; P244-T246 PolarHBondContact O-N 2.95Å; P244-N345 WeakPolarHBondContact CA-OD1 3.29Å |
| 245 | G | 89.5 | Confident | 90.2 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 36% | 0.361 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 4.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G405 A406 | G245-G405 PolarHBondContact O-N 2.95Å; G245-A406 PolarHBondContact O-N 2.65Å |
| 246 | T | 90.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -82 | -7.2 | 178.3 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | P243 P244 I366 G367 V404 | P243-T246 HydrophobicContact CB-CG2 3.97Å; P243-T246 HydrophobicContact CG-CG2 4.37Å; P243-T246 WeakPolarHBondContact O-CG2 3.38Å; P243-T246 PolarHBondContact O-OG1 3.31Å; P243-T246 VanDerWaalsContact O-OG1 3.05Å; P244-T246 VanDerWaalsContact C-N 3.33Å; P244-T246 PolarHBondContact O-N 2.95Å; T246-I366 VanDerWaalsContact CB-O 3.29Å; T246-I366 WeakPolarHBondContact CB-O 3.29Å; T246-I366 WeakPolarHBondContact O-CG2 3.34Å; T246-I366 PolarHBondContact OG1-O 3.05Å; T246-G367 WeakPolarHBondContact CG2-O 3.31Å; T246-V404 HydrophobicContact CG2-CB 4.06Å; T246-V404 HydrophobicContact CG2-CG1 3.66Å |
| 247 | G | 93.3 | Very high | 90 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 24% | 0.237 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 99.4 | 20.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T249 L250 V251 | G247-T249 PolarHBondContact O-N 3.44Å; G247-L250 WeakPolarHBondContact O-CB 3.37Å; G247-L250 PolarHBondContact O-N 3.17Å; G247-L250 VanDerWaalsContact O-N 3.16Å; G247-V251 VanDerWaalsContact O-CG2 3.28Å; G247-V251 WeakPolarHBondContact O-CG2 3.41Å; G247-V251 PolarHBondContact O-N 3.41Å |
| 248 | K | 94.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.9 | -50.1 | 177.1 | -65.9 | -179 | -69.7 | -74.6 | 0 | 113.3 | L240 G242 P243 V251 A252 A343 N345 I366 | L240-K248 HydrophobicContact CB-CB 4.33Å; L240-K248 HydrophobicContact CB-CD 4.26Å; L240-K248 HydrophobicContact CB-CG 4.17Å; L240-K248 HydrophobicContact CD1-CB 4.42Å; G242-K248 PolarHBondContact O-NZ 3.49Å; P243-K248 PolarHBondContact O-NZ 3.35Å; K248-V251 PolarHBondContact O-N 3.16Å; K248-A252 PolarHBondContact O-N 3.1Å; K248-A252 VanDerWaalsContact O-N 3.14Å; K248-A343 HydrophobicContact CB-CB 3.85Å; K248-A343 HydrophobicContact CD-CB 4.06Å; K248-N345 VanDerWaalsContact CE-OD1 3.25Å; K248-N345 WeakPolarHBondContact CE-OD1 3.35Å; K248-N345 PolarHBondContact NZ-OD1 3.42Å; K248-I366 HydrophobicContact CG-CB 3.91Å; K248-I366 HydrophobicContact CG-CG1 3.92Å; K248-I366 HydrophobicContact CG-CG2 4.43Å |
| 249 | T | 91.3 | Very high | 88.6 | Confident | 42 Ų | 42 | 23 Ų | 23 | 26% | 0.258 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 178 | -42.3 | 0 | 0 | 0 | 0 | 112 | G247 A252 R253 F299 D301 | G247-T249 PolarHBondContact O-N 3.44Å; T249-A252 PolarHBondContact O-N 3.02Å; T249-R253 WeakPolarHBondContact O-CG 3.4Å; T249-R253 PolarHBondContact O-N 3.1Å; T249-R253 VanDerWaalsContact O-N 3.07Å; T249-F299 HydrophobicContact CG2-CE1 3.84Å; T249-D301 WeakPolarHBondContact CG2-OD2 3.29Å; T249-D301 PolarHBondContact OG1-OD2 3.23Å |
| 250 | L | 92 | Very high | 87.7 | Confident | 65 Ų | 65 | 26 Ų | 26 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.7 | -169.8 | 94.4 | 0 | 0 | 0 | 110.9 | I198 I203 G247 R253 A254 | I198-L250 HydrophobicContact CD1-CD1 3.97Å; I198-L250 HydrophobicContact CG1-CD1 4.46Å; I198-L250 HydrophobicContact CG2-CD1 4.04Å; I198-L250 HydrophobicContact CG2-CG 4.06Å; I203-L250 HydrophobicContact CG1-CD2 3.81Å; I203-L250 HydrophobicContact CG1-CG 4.43Å; G247-L250 WeakPolarHBondContact O-CB 3.37Å; G247-L250 PolarHBondContact O-N 3.17Å; G247-L250 VanDerWaalsContact O-N 3.16Å; L250-R253 PolarHBondContact O-N 3.4Å; L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.18Å |
| 251 | V | 94.4 | Very high | 87 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I203 L210 I213 L240 G247 K248 R253 A254 V255 | I203-V251 HydrophobicContact CD1-CB 4.3Å; I203-V251 HydrophobicContact CD1-CG2 3.92Å; I203-V251 HydrophobicContact CG2-CG2 4.11Å; L210-V251 HydrophobicContact CD2-CG1 4.06Å; I213-V251 HydrophobicContact CD1-CG1 3.34Å; L240-V251 HydrophobicContact CD1-CG1 4.3Å; G247-V251 VanDerWaalsContact O-CG2 3.28Å; G247-V251 WeakPolarHBondContact O-CG2 3.41Å; G247-V251 PolarHBondContact O-N 3.41Å; K248-V251 PolarHBondContact O-N 3.16Å; V251-R253 PolarHBondContact O-N 2.95Å; V251-A254 PolarHBondContact O-N 2.84Å; V251-V255 HydrophobicContact CG1-CG2 4.24Å; V251-V255 WeakPolarHBondContact O-CB 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.12Å; V251-V255 PolarHBondContact O-N 3.2Å |
| 252 | A | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K248 T249 V255 A256 F263 F299 M341 | K248-A252 PolarHBondContact O-N 3.1Å; K248-A252 VanDerWaalsContact O-N 3.14Å; T249-A252 PolarHBondContact O-N 3.02Å; A252-V255 PolarHBondContact O-N 3.19Å; A252-A256 PolarHBondContact O-N 2.93Å; A252-A256 VanDerWaalsContact O-N 3.1Å; A252-F263 HydrophobicContact CB-CE2 4.18Å; A252-F263 HydrophobicContact CB-CZ 4.32Å; A252-F299 HydrophobicContact CB-CB 4.33Å; A252-F299 HydrophobicContact CB-CD1 3.98Å; A252-F299 HydrophobicContact CB-CD2 3.27Å; A252-F299 HydrophobicContact CB-CE1 4.09Å; A252-F299 HydrophobicContact CB-CE2 3.37Å; A252-F299 HydrophobicContact CB-CG 3.58Å; A252-F299 HydrophobicContact CB-CZ 3.78Å; A252-M341 HydrophobicContact CB-CE 3.96Å |
| 253 | R | 88.1 | Confident | 87 | Confident | 92 Ų | 92 | 30.3 Ų | 30.3 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.4 | -71.3 | -178.8 | -175.2 | -86.2 | 6.6 | 111.9 | I198 T249 L250 V251 V255 A256 N257 F263 | I198-R253 HydrophobicContact CD1-CB 4.31Å; T249-R253 WeakPolarHBondContact O-CG 3.4Å; T249-R253 PolarHBondContact O-N 3.1Å; T249-R253 VanDerWaalsContact O-N 3.07Å; L250-R253 PolarHBondContact O-N 3.4Å; V251-R253 PolarHBondContact O-N 2.95Å; R253-V255 VanDerWaalsContact C-N 3.29Å; R253-V255 PolarHBondContact O-N 3.39Å; R253-A256 PolarHBondContact O-N 3.31Å; R253-N257 VanDerWaalsContact O-CG 3.27Å; R253-N257 PolarHBondContact O-N 3.42Å; R253-F263 HydrophobicContact CG-CE1 3.83Å; R253-F263 HydrophobicContact CG-CZ 3.89Å |
| 254 | A | 87.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I198 Y200 I203 L250 V251 A256 E258 | I198-A254 HydrophobicContact CG2-CB 4.01Å; Y200-A254 HydrophobicContact CD1-CB 4.26Å; Y200-A254 HydrophobicContact CE1-CB 4.49Å; I203-A254 HydrophobicContact CD1-CB 3.43Å; I203-A254 VanDerWaalsContact CD1-CB 3.43Å; I203-A254 HydrophobicContact CG1-CB 4.35Å; L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.18Å; V251-A254 PolarHBondContact O-N 2.84Å; A254-A256 VanDerWaalsContact C-N 3.35Å; A254-A256 PolarHBondContact O-N 3.21Å; A254-E258 WeakPolarHBondContact O-CB 3.31Å; A254-E258 WeakPolarHBondContact O-CG 3.33Å; A254-E258 PolarHBondContact O-N 2.91Å |
| 255 | V | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | -179.3 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | Y200 I213 V217 V251 A252 R253 S259 I297 M341 | Y200-V255 HydrophobicContact CE1-CG2 3.75Å; I213-V255 HydrophobicContact CB-CG2 4.43Å; I213-V255 HydrophobicContact CG2-CB 4.2Å; I213-V255 HydrophobicContact CG2-CG1 3.76Å; I213-V255 HydrophobicContact CG2-CG2 3.38Å; V217-V255 HydrophobicContact CB-CG1 4.02Å; V217-V255 HydrophobicContact CG1-CG1 3.74Å; V251-V255 HydrophobicContact CG1-CG2 4.24Å; V251-V255 WeakPolarHBondContact O-CB 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.12Å; V251-V255 PolarHBondContact O-N 3.2Å; A252-V255 PolarHBondContact O-N 3.19Å; R253-V255 VanDerWaalsContact C-N 3.29Å; R253-V255 PolarHBondContact O-N 3.39Å; V255-S259 VanDerWaalsContact O-CB 3.29Å; V255-S259 WeakPolarHBondContact O-CB 3.45Å; V255-S259 PolarHBondContact O-N 3.24Å; V255-S259 PolarHBondContact O-OG 3.13Å; V255-S259 VanDerWaalsContact O-OG 3.11Å; V255-I297 HydrophobicContact CG1-CD1 4.06Å; V255-M341 HydrophobicContact CG1-SD 4.42Å |
| 256 | A | 84.7 | Confident | 88 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -43.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A252 R253 A254 E258 S259 G260 S261 F263 I297 | A252-A256 PolarHBondContact O-N 2.93Å; A252-A256 VanDerWaalsContact O-N 3.1Å; R253-A256 PolarHBondContact O-N 3.31Å; A254-A256 VanDerWaalsContact C-N 3.35Å; A254-A256 PolarHBondContact O-N 3.21Å; A256-E258 VanDerWaalsContact C-N 3.32Å; A256-E258 PolarHBondContact O-N 3Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 PolarHBondContact O-OG 3.36Å; A256-G260 PolarHBondContact O-N 3.28Å; A256-S261 PolarHBondContact O-N 3.44Å; A256-S261 VanDerWaalsContact O-N 3.09Å; A256-F263 HydrophobicContact CB-CB 3.74Å; A256-F263 HydrophobicContact CB-CD2 3.28Å; A256-F263 HydrophobicContact CB-CE2 4.09Å; A256-F263 HydrophobicContact CB-CG 3.79Å; A256-I297 HydrophobicContact CB-CB 4.5Å; A256-I297 HydrophobicContact CB-CD1 3.91Å |
| 257 | N | 79.9 | Confident | 88 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.6 | -67.5 | -9.6 | 0 | 0 | 0 | 110.8 | I198 R253 G260 | I198-N257 PolarHBondContact N-ND2 2.78Å; I198-N257 WeakPolarHBondContact O-CB 3.4Å; I198-N257 PolarHBondContact O-ND2 2.71Å; R253-N257 VanDerWaalsContact O-CG 3.27Å; R253-N257 PolarHBondContact O-N 3.42Å; N257-G260 PolarHBondContact O-N 2.88Å |
| 258 | E | 79.6 | Confident | 87.7 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.9 | -40.9 | 177.4 | -73.1 | -80.3 | -177.7 | 0 | 0 | 112.1 | R61 Y200 A254 A256 G260 | R61-E258 WeakPolarHBondContact CD-O 3.29Å; R61-E258 IonicContact CZ-OE2 3.61Å; R61-E258 PolarHBondContact NE-O 3.08Å; R61-E258 IonicContact NE-OE2 3.59Å; R61-E258 PolarHBondContact NE-OE2 2.93Å; R61-E258 VanDerWaalsContact NE-OE2 3.07Å; R61-E258 PolarHBondContact NH1-O 2.85Å; R61-E258 PolarHBondContact NH2-O 2.96Å; R61-E258 IonicContact NH2-OE2 2.73Å; Y200-E258 HydrophobicContact CD1-CG 4.45Å; Y200-E258 HydrophobicContact CD2-CB 4Å; Y200-E258 HydrophobicContact CD2-CG 3.46Å; Y200-E258 VanDerWaalsContact CD2-CG 3.46Å; Y200-E258 HydrophobicContact CE1-CG 4.43Å; Y200-E258 HydrophobicContact CE2-CB 3.4Å; Y200-E258 VanDerWaalsContact CE2-CB 3.4Å; Y200-E258 HydrophobicContact CE2-CG 3.44Å; Y200-E258 VanDerWaalsContact CE2-CG 3.44Å; Y200-E258 HydrophobicContact CG-CG 4Å; A254-E258 WeakPolarHBondContact O-CB 3.31Å; A254-E258 WeakPolarHBondContact O-CG 3.33Å; A254-E258 PolarHBondContact O-N 2.91Å; A256-E258 VanDerWaalsContact C-N 3.32Å; A256-E258 PolarHBondContact O-N 3Å; E258-G260 PolarHBondContact O-N 3.39Å |
| 259 | S | 79.1 | Confident | 87.2 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -16.2 | 176 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | V255 A256 S261 | V255-S259 VanDerWaalsContact O-CB 3.29Å; V255-S259 WeakPolarHBondContact O-CB 3.45Å; V255-S259 PolarHBondContact O-N 3.24Å; V255-S259 PolarHBondContact O-OG 3.13Å; V255-S259 VanDerWaalsContact O-OG 3.11Å; A256-S259 PolarHBondContact O-N 3.31Å; A256-S259 PolarHBondContact O-OG 3.36Å; S259-S261 WeakPolarHBondContact CB-OG 3.38Å; S259-S261 WeakPolarHBondContact OG-CB 3.28Å; S259-S261 PolarHBondContact OG-N 2.83Å; S259-S261 PolarHBondContact OG-OG 2.9Å |
| 260 | G | 76.6 | Confident | 87 | Confident | 63 Ų | 63 | 37.4 Ų | 37.4 | 65% | 0.649 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 28.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A256 N257 E258 | A256-G260 PolarHBondContact O-N 3.28Å; N257-G260 PolarHBondContact O-N 2.88Å; E258-G260 PolarHBondContact O-N 3.39Å |
| 261 | S | 82.4 | Confident | 86.6 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | trans | -97.9 | 146 | -176.7 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | L221 A256 S259 F263 P295 | L221-S261 WeakPolarHBondContact CD1-OG 3.43Å; A256-S261 PolarHBondContact O-N 3.44Å; A256-S261 VanDerWaalsContact O-N 3.09Å; S259-S261 WeakPolarHBondContact CB-OG 3.38Å; S259-S261 WeakPolarHBondContact OG-CB 3.28Å; S259-S261 PolarHBondContact OG-N 2.83Å; S259-S261 PolarHBondContact OG-OG 2.9Å; S261-F263 PolarHBondContact O-N 3.06Å; S261-P295 CarbonylContact C-O 3.54Å; S261-P295 VanDerWaalsContact CA-O 3.31Å; S261-P295 WeakPolarHBondContact CA-O 3.49Å; S261-P295 WeakPolarHBondContact CB-O 3.47Å | ||
| 262 | F | 85.5 | Confident | 85.8 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 35% | 0.346 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 125.6 | 174.6 | 179.2 | -102.9 | 0 | 0 | 0 | 110.1 | F264 N293 P295 A296 I297 | F262-F264 HydrophobicContact CE1-CB 4.2Å; F262-F264 AromaticContact CE1-CD2 3.89Å; F262-F264 HydrophobicContact CE1-CD2 3.89Å; F262-F264 HydrophobicContact CZ-CD2 4.26Å; F262-N293 HydrophobicContact CB-CB 3.81Å; F262-N293 WeakPolarHBondContact CB-O 3.38Å; F262-N293 HydrophobicContact CD1-CB 3.55Å; F262-N293 HydrophobicContact CD2-CB 3.89Å; F262-N293 HydrophobicContact CE1-CB 4.01Å; F262-N293 HydrophobicContact CE2-CB 4.34Å; F262-N293 HydrophobicContact CG-CB 3.47Å; F262-N293 VanDerWaalsContact CG-CB 3.47Å; F262-N293 HydrophobicContact CZ-CB 4.39Å; F262-P295 PolarHBondContact N-O 3.47Å; F262-A296 HydrophobicContact CB-CB 4.04Å; F262-A296 HydrophobicContact CD1-CB 4.17Å; F262-A296 CarbonylContact O-C 3.5Å; F262-A296 VanDerWaalsContact O-CA 3.23Å; F262-A296 WeakPolarHBondContact O-CA 3.15Å; F262-I297 PolarHBondContact O-N 2.88Å |
| 263 | F | 87.7 | Confident | 84.7 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.7 | -176.4 | -172.8 | -109 | 0 | 0 | 0 | 110.9 | A252 R253 A256 S261 L265 I297 F299 | A252-F263 HydrophobicContact CB-CE2 4.18Å; A252-F263 HydrophobicContact CB-CZ 4.32Å; R253-F263 HydrophobicContact CG-CE1 3.83Å; R253-F263 HydrophobicContact CG-CZ 3.89Å; A256-F263 HydrophobicContact CB-CB 3.74Å; A256-F263 HydrophobicContact CB-CD2 3.28Å; A256-F263 HydrophobicContact CB-CE2 4.09Å; A256-F263 HydrophobicContact CB-CG 3.79Å; S261-F263 PolarHBondContact O-N 3.06Å; F263-L265 HydrophobicContact CE1-CB 4.06Å; F263-I297 HydrophobicContact CD2-CB 4.31Å; F263-I297 HydrophobicContact CD2-CG2 4.2Å; F263-I297 HydrophobicContact CE2-CG2 4.33Å; F263-F299 HydrophobicContact CD2-CB 4.48Å; F263-F299 HydrophobicContact CE2-CB 3.47Å; F263-F299 VanDerWaalsContact CE2-CB 3.47Å; F263-F299 HydrophobicContact CE2-CG 4.18Å; F263-F299 HydrophobicContact CZ-CB 3.5Å; F263-F299 VanDerWaalsContact CZ-CB 3.5Å; F263-F299 AromaticContact CZ-CD1 3.97Å; F263-F299 HydrophobicContact CZ-CD1 3.97Å; F263-F299 AromaticContact CZ-CG 3.96Å; F263-F299 HydrophobicContact CZ-CG 3.96Å |
| 264 | F | 92.4 | Very high | 84.1 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 111.2 | 176.4 | -160.1 | -78.9 | 0 | 0 | 0 | 110.3 | F262 I266 A286 E289 I297 I298 F299 | F262-F264 HydrophobicContact CE1-CB 4.2Å; F262-F264 AromaticContact CE1-CD2 3.89Å; F262-F264 HydrophobicContact CE1-CD2 3.89Å; F262-F264 HydrophobicContact CZ-CD2 4.26Å; F264-I266 HydrophobicContact CD1-CD1 4.43Å; F264-I266 HydrophobicContact CD1-CG1 3.85Å; F264-I266 HydrophobicContact CE1-CG1 3.95Å; F264-A286 HydrophobicContact CD1-CB 3.76Å; F264-A286 HydrophobicContact CE1-CB 3.27Å; F264-A286 HydrophobicContact CZ-CB 3.78Å; F264-E289 HydrophobicContact CE2-CB 4.35Å; F264-E289 VanDerWaalsContact CE2-OE2 3.27Å; F264-E289 WeakPolarHBondContact CE2-OE2 3.43Å; F264-I297 PolarHBondContact N-O 3.43Å; F264-I298 CarbonylContact O-C 3.46Å; F264-I298 WeakPolarHBondContact O-CA 3.3Å; F264-F299 PolarHBondContact O-N 2.96Å |
| 265 | L | 92.2 | Very high | 83.3 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130 | 178.4 | 175.7 | 65.5 | 0 | 0 | 0 | 110.9 | F263 F299 D301 | F263-L265 HydrophobicContact CE1-CB 4.06Å; L265-F299 HydrophobicContact CD1-CD1 3.6Å; L265-F299 HydrophobicContact CD1-CE1 4.25Å; L265-D301 HydrophobicContact CD1-CB 4.37Å |
| 266 | I | 93.4 | Very high | 82.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.2 | 170.1 | -56.7 | 179.5 | 0 | 0 | 0 | 107.3 | F264 I271 L283 A286 I298 F299 I300 D301 | F264-I266 HydrophobicContact CD1-CD1 4.43Å; F264-I266 HydrophobicContact CD1-CG1 3.85Å; F264-I266 HydrophobicContact CE1-CG1 3.95Å; I266-I271 HydrophobicContact CG2-CD1 3.96Å; I266-I271 HydrophobicContact CG2-CG1 3.58Å; I266-L283 HydrophobicContact CD1-CD2 4.08Å; I266-L283 HydrophobicContact CG2-CD2 4.17Å; I266-A286 HydrophobicContact CD1-CB 3.65Å; I266-A286 HydrophobicContact CG1-CB 4.21Å; I266-I298 HydrophobicContact CD1-CG2 3.69Å; I266-I298 HydrophobicContact CG1-CG2 4.26Å; I266-F299 PolarHBondContact N-O 2.84Å; I266-I300 HydrophobicContact CB-CG1 4.29Å; I266-I300 HydrophobicContact CD1-CG1 4.24Å; I266-I300 CarbonylContact O-C 3.56Å; I266-I300 WeakPolarHBondContact O-CA 3.48Å; I266-D301 PolarHBondContact O-N 2.88Å |
| 267 | N | 91.5 | Very high | 82.1 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122 | 176.7 | -165.8 | -2 | 0 | 0 | 0 | 109.9 | P269 E270 I271 | N267-P269 WeakPolarHBondContact OD1-CD 3.44Å; N267-E270 HydrophobicContact CB-CB 4.16Å; N267-E270 HydrophobicContact CB-CG 3.96Å; N267-E270 PolarHBondContact ND2-OE1 2.97Å; N267-E270 VanDerWaalsContact ND2-OE1 3.14Å; N267-E270 WeakPolarHBondContact O-CB 3.44Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.13Å; N267-I271 PolarHBondContact O-N 3.41Å |
| 268 | G | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -50.3 | -56.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E270 I271 M272 D301 I306 | G268-E270 VanDerWaalsContact C-N 3.28Å; G268-E270 PolarHBondContact O-N 3.39Å; G268-I271 WeakPolarHBondContact O-CB 3.35Å; G268-I271 PolarHBondContact O-N 3.45Å; G268-I271 VanDerWaalsContact O-N 3.09Å; G268-M272 PolarHBondContact O-N 3.37Å; G268-D301 PolarHBondContact N-O 3.41Å; G268-I306 WeakPolarHBondContact O-CG2 3.38Å |
| 269 | P | 85.3 | Confident | 82.7 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.8 | -34.7 | 177.1 | -28.2 | 34.7 | 0 | 0 | 0 | 115 | N267 I271 M272 S273 E302 A305 | N267-P269 WeakPolarHBondContact OD1-CD 3.44Å; P269-I271 VanDerWaalsContact C-N 3.27Å; P269-I271 PolarHBondContact O-N 3.07Å; P269-M272 PolarHBondContact O-N 2.76Å; P269-S273 PolarHBondContact O-N 3.37Å; P269-E302 WeakPolarHBondContact CD-OE2 3.41Å; P269-E302 WeakPolarHBondContact CG-OE2 3.4Å; P269-A305 HydrophobicContact CG-CB 4.39Å |
| 270 | E | 85.3 | Confident | 83.2 | Confident | 116 Ų | 116 | 54 Ų | 54 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.1 | -25.7 | 178.6 | -69.3 | 177.5 | -155.9 | 0 | 0 | 112.9 | N267 G268 S273 K274 | N267-E270 HydrophobicContact CB-CB 4.16Å; N267-E270 HydrophobicContact CB-CG 3.96Å; N267-E270 PolarHBondContact ND2-OE1 2.97Å; N267-E270 VanDerWaalsContact ND2-OE1 3.14Å; N267-E270 WeakPolarHBondContact O-CB 3.44Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.13Å; G268-E270 VanDerWaalsContact C-N 3.28Å; G268-E270 PolarHBondContact O-N 3.39Å; E270-S273 PolarHBondContact O-OG 3.34Å; E270-K274 VanDerWaalsContact O-CE 3.31Å; E270-K274 WeakPolarHBondContact O-CE 3.07Å |
| 271 | I | 85 | Confident | 83.9 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.1 | -36.6 | 172.5 | -63.7 | -63.4 | 0 | 0 | 0 | 110.7 | I266 N267 G268 P269 S279 N282 L283 I306 I321 | I266-I271 HydrophobicContact CG2-CD1 3.96Å; I266-I271 HydrophobicContact CG2-CG1 3.58Å; N267-I271 PolarHBondContact O-N 3.41Å; G268-I271 WeakPolarHBondContact O-CB 3.35Å; G268-I271 PolarHBondContact O-N 3.45Å; G268-I271 VanDerWaalsContact O-N 3.09Å; P269-I271 VanDerWaalsContact C-N 3.27Å; P269-I271 PolarHBondContact O-N 3.07Å; I271-S279 VanDerWaalsContact O-CB 3.29Å; I271-S279 WeakPolarHBondContact O-CB 3.27Å; I271-S279 PolarHBondContact O-OG 3.19Å; I271-N282 HydrophobicContact CD1-CB 4.16Å; I271-L283 HydrophobicContact CD1-CD2 4.38Å; I271-L283 HydrophobicContact CG1-CD2 4.45Å; I271-L283 HydrophobicContact CG2-CG 4.37Å; I271-I306 HydrophobicContact CB-CG2 3.8Å; I271-I306 HydrophobicContact CG2-CG2 3.89Å; I271-I321 HydrophobicContact CG2-CG2 4.44Å |
| 272 | M | 76.4 | Confident | 84.2 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.3 | -30.7 | -177.5 | -74.2 | -58.3 | -65.9 | 0 | 0 | 114.1 | G268 P269 K274 A305 I306 E318 I321 | G268-M272 PolarHBondContact O-N 3.37Å; P269-M272 PolarHBondContact O-N 2.76Å; M272-K274 PolarHBondContact O-N 3.19Å; M272-K274 VanDerWaalsContact O-N 3.16Å; M272-A305 WeakPolarHBondContact CG-O 3.28Å; M272-I306 HydrophobicContact CG-CG2 3.87Å; M272-I306 HydrophobicContact SD-CG2 4.27Å; M272-E318 HydrophobicContact CE-CG 3.5Å; M272-I321 HydrophobicContact SD-CD1 3.54Å; M272-I321 VanDerWaalsContact SD-CD1 3.54Å |
| 273 | S | 70.7 | Confident | 84.5 | Confident | 101 Ų | 101 | 50 Ų | 50 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.6 | -176.6 | 63 | 0 | 0 | 0 | 0 | 114.6 | P269 E270 | P269-S273 PolarHBondContact O-N 3.37Å; E270-S273 PolarHBondContact O-OG 3.34Å |
| 274 | K | 73.9 | Confident | 84.7 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -95 | 162.9 | -173.4 | -61.5 | -176 | -179.7 | -167 | 0 | 112.9 | E270 M272 E278 N282 | E270-K274 VanDerWaalsContact O-CE 3.31Å; E270-K274 WeakPolarHBondContact O-CE 3.07Å; M272-K274 PolarHBondContact O-N 3.19Å; M272-K274 VanDerWaalsContact O-N 3.16Å; K274-E278 HydrophobicContact CB-CB 4.29Å; K274-E278 HydrophobicContact CD-CG 4.49Å; K274-N282 WeakPolarHBondContact CD-ND2 3.48Å; K274-N282 PolarHBondContact NZ-ND2 2.73Å |
| 275 | L | 72.4 | Confident | 84.7 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 72% | 0.723 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 149.6 | 179.4 | -66.7 | 173.3 | 0 | 0 | 0 | 111.2 | G277 E278 | L275-G277 PolarHBondContact O-N 3.24Å; L275-E278 WeakPolarHBondContact O-CB 3.5Å; L275-E278 PolarHBondContact O-N 3.19Å |
| 276 | A | 71 | Confident | 84.6 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | E278 V317 | A276-E278 VanDerWaalsContact C-N 3.28Å; A276-E278 PolarHBondContact O-N 2.95Å; A276-V317 HydrophobicContact CB-CG2 4.02Å |
| 277 | G | 77.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -31 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L275 E280 S281 | L275-G277 PolarHBondContact O-N 3.24Å; G277-E280 WeakPolarHBondContact CA-OE2 3.48Å; G277-E280 PolarHBondContact N-OE2 3.39Å; G277-S281 WeakPolarHBondContact O-CB 3.46Å; G277-S281 PolarHBondContact O-N 3.24Å; G277-S281 VanDerWaalsContact O-N 3.1Å |
| 278 | E | 85.4 | Confident | 84.8 | Confident | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.1 | -41.7 | 176.9 | -160.3 | -167.2 | 154 | 0 | 0 | 110.8 | K274 L275 A276 E280 S281 N282 | K274-E278 HydrophobicContact CB-CB 4.29Å; K274-E278 HydrophobicContact CD-CG 4.49Å; L275-E278 WeakPolarHBondContact O-CB 3.5Å; L275-E278 PolarHBondContact O-N 3.19Å; A276-E278 VanDerWaalsContact C-N 3.28Å; A276-E278 PolarHBondContact O-N 2.95Å; E278-E280 PolarHBondContact O-N 2.78Å; E278-S281 WeakPolarHBondContact O-CB 3.46Å; E278-S281 PolarHBondContact O-N 2.9Å; E278-N282 WeakPolarHBondContact O-CB 3.32Å; E278-N282 PolarHBondContact O-N 3.04Å; E278-N282 PolarHBondContact O-ND2 3.43Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å |
| 279 | S | 86.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 175.1 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | I271 N282 L283 | I271-S279 VanDerWaalsContact O-CB 3.29Å; I271-S279 WeakPolarHBondContact O-CB 3.27Å; I271-S279 PolarHBondContact O-OG 3.19Å; S279-N282 PolarHBondContact O-N 3.07Å; S279-L283 PolarHBondContact O-N 3.21Å; S279-L283 VanDerWaalsContact O-N 3.13Å |
| 280 | E | 89.5 | Confident | 85.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 177.6 | -61.4 | 97 | 135.2 | 0 | 0 | 112.2 | G277 E278 L283 R284 R320 I321 Q324 | G277-E280 WeakPolarHBondContact CA-OE2 3.48Å; G277-E280 PolarHBondContact N-OE2 3.39Å; E278-E280 PolarHBondContact O-N 2.78Å; E280-L283 PolarHBondContact O-N 3.46Å; E280-R284 WeakPolarHBondContact O-CG 3.14Å; E280-R284 PolarHBondContact O-N 3.05Å; E280-R284 VanDerWaalsContact O-N 3.08Å; E280-R320 WeakPolarHBondContact OE1-CB 3.49Å; E280-I321 HydrophobicContact CG-CG1 4.43Å; E280-Q324 HydrophobicContact CB-CB 4.3Å; E280-Q324 HydrophobicContact CB-CG 3.89Å; E280-Q324 HydrophobicContact CG-CB 4.01Å; E280-Q324 HydrophobicContact CG-CG 4.17Å |
| 281 | S | 90.5 | Very high | 85.5 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.6 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | G277 E278 R284 K285 | G277-S281 WeakPolarHBondContact O-CB 3.46Å; G277-S281 PolarHBondContact O-N 3.24Å; G277-S281 VanDerWaalsContact O-N 3.1Å; E278-S281 WeakPolarHBondContact O-CB 3.46Å; E278-S281 PolarHBondContact O-N 2.9Å; S281-R284 PolarHBondContact O-N 2.98Å; S281-K285 WeakPolarHBondContact O-CG 3.46Å; S281-K285 PolarHBondContact O-N 3.03Å |
| 282 | N | 88.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.6 | -69.8 | -29.4 | 0 | 0 | 0 | 111.8 | I271 K274 E278 S279 R284 K285 A286 | I271-N282 HydrophobicContact CD1-CB 4.16Å; K274-N282 WeakPolarHBondContact CD-ND2 3.48Å; K274-N282 PolarHBondContact NZ-ND2 2.73Å; E278-N282 WeakPolarHBondContact O-CB 3.32Å; E278-N282 PolarHBondContact O-N 3.04Å; E278-N282 PolarHBondContact O-ND2 3.43Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å; S279-N282 PolarHBondContact O-N 3.07Å; N282-R284 VanDerWaalsContact C-N 3.35Å; N282-R284 PolarHBondContact O-N 3.43Å; N282-K285 PolarHBondContact O-N 2.79Å; N282-A286 WeakPolarHBondContact O-CB 3.22Å; N282-A286 PolarHBondContact O-N 2.83Å |
| 283 | L | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 172.1 | -72.7 | 179.1 | 0 | 0 | 0 | 112 | I266 I271 S279 E280 A286 F287 I306 I321 Q324 L328 | I266-L283 HydrophobicContact CD1-CD2 4.08Å; I266-L283 HydrophobicContact CG2-CD2 4.17Å; I271-L283 HydrophobicContact CD1-CD2 4.38Å; I271-L283 HydrophobicContact CG1-CD2 4.45Å; I271-L283 HydrophobicContact CG2-CG 4.37Å; S279-L283 PolarHBondContact O-N 3.21Å; S279-L283 VanDerWaalsContact O-N 3.13Å; E280-L283 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.3Å; L283-F287 VanDerWaalsContact O-CD2 3.3Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; L283-F287 PolarHBondContact O-N 3.3Å; L283-I306 HydrophobicContact CD2-CD1 4.48Å; L283-I321 HydrophobicContact CD1-CG2 3.87Å; L283-Q324 HydrophobicContact CB-CG 4.49Å; L283-Q324 HydrophobicContact CD1-CG 4.46Å; L283-L328 HydrophobicContact CB-CD1 3.79Å |
| 284 | R | 93.2 | Very high | 87 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.1 | -71.8 | -172.5 | -64.7 | -91.2 | -0.7 | 111.8 | E280 S281 N282 A286 F287 E288 L328 | E280-R284 WeakPolarHBondContact O-CG 3.14Å; E280-R284 PolarHBondContact O-N 3.05Å; E280-R284 VanDerWaalsContact O-N 3.08Å; S281-R284 PolarHBondContact O-N 2.98Å; N282-R284 VanDerWaalsContact C-N 3.35Å; N282-R284 PolarHBondContact O-N 3.43Å; R284-A286 VanDerWaalsContact C-N 3.33Å; R284-A286 PolarHBondContact O-N 2.86Å; R284-F287 PolarHBondContact O-N 3.33Å; R284-E288 WeakPolarHBondContact O-CG 3.45Å; R284-E288 PolarHBondContact O-N 3.38Å; R284-L328 HydrophobicContact CG-CD1 4.45Å; R284-L328 HydrophobicContact CG-CD2 4.22Å |
| 285 | K | 91.9 | Very high | 87.7 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 178.1 | -72.9 | 178.5 | -178.9 | -179.8 | 0 | 112.1 | S281 N282 F287 E288 E289 | S281-K285 WeakPolarHBondContact O-CG 3.46Å; S281-K285 PolarHBondContact O-N 3.03Å; N282-K285 PolarHBondContact O-N 2.79Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 3.06Å; K285-E288 PolarHBondContact O-N 3.26Å; K285-E289 WeakPolarHBondContact O-CB 3.49Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 2.89Å |
| 286 | A | 90.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F264 I266 N282 L283 R284 A290 | F264-A286 HydrophobicContact CD1-CB 3.76Å; F264-A286 HydrophobicContact CE1-CB 3.27Å; F264-A286 HydrophobicContact CZ-CB 3.78Å; I266-A286 HydrophobicContact CD1-CB 3.65Å; I266-A286 HydrophobicContact CG1-CB 4.21Å; N282-A286 WeakPolarHBondContact O-CB 3.22Å; N282-A286 PolarHBondContact O-N 2.83Å; L283-A286 PolarHBondContact O-N 3.3Å; R284-A286 VanDerWaalsContact C-N 3.33Å; R284-A286 PolarHBondContact O-N 2.86Å; A286-A290 WeakPolarHBondContact O-CB 3.38Å; A286-A290 PolarHBondContact O-N 3.19Å |
| 287 | F | 94.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 176.6 | -85.4 | -115.4 | 0 | 0 | 0 | 112 | L283 R284 K285 A290 E291 I298 L325 L328 M329 L332 V340 | L283-F287 VanDerWaalsContact O-CD2 3.3Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; L283-F287 PolarHBondContact O-N 3.3Å; R284-F287 PolarHBondContact O-N 3.33Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 3.06Å; F287-A290 PolarHBondContact O-N 3.25Å; F287-E291 WeakPolarHBondContact O-CG 3.09Å; F287-E291 PolarHBondContact O-N 3.46Å; F287-I298 HydrophobicContact CB-CD1 4.31Å; F287-I298 HydrophobicContact CD1-CD1 3.85Å; F287-I298 HydrophobicContact CD2-CD1 3.73Å; F287-I298 HydrophobicContact CE1-CD1 4.05Å; F287-I298 HydrophobicContact CE2-CD1 3.93Å; F287-I298 HydrophobicContact CE2-CG2 4.4Å; F287-I298 HydrophobicContact CG-CD1 3.69Å; F287-I298 HydrophobicContact CZ-CD1 4.09Å; F287-L325 HydrophobicContact CE2-CD1 4.29Å; F287-L325 HydrophobicContact CZ-CD1 4.17Å; F287-L328 HydrophobicContact CB-CD2 4.04Å; F287-L328 HydrophobicContact CD1-CB 3.8Å; F287-L328 HydrophobicContact CD1-CD2 4.28Å; F287-L328 HydrophobicContact CD1-CG 4.47Å; F287-L328 HydrophobicContact CD2-CB 4.35Å; F287-L328 HydrophobicContact CD2-CD1 3.93Å; F287-L328 HydrophobicContact CE1-CB 3.7Å; F287-L328 HydrophobicContact CE2-CB 4.27Å; F287-L328 HydrophobicContact CE2-CD1 4.18Å; F287-L328 HydrophobicContact CG-CB 4.13Å; F287-L328 HydrophobicContact CG-CD1 4.21Å; F287-L328 HydrophobicContact CG-CD2 4.07Å; F287-L328 HydrophobicContact CG-CG 4.36Å; F287-L328 HydrophobicContact CZ-CB 3.95Å; F287-M329 HydrophobicContact CE1-SD 4.28Å; F287-M329 HydrophobicContact CZ-SD 4.13Å; F287-L332 HydrophobicContact CD1-CD2 3.81Å; F287-L332 HydrophobicContact CD1-CG 4.19Å; F287-L332 HydrophobicContact CE1-CD1 3.98Å; F287-L332 HydrophobicContact CE1-CD2 4.1Å; F287-L332 HydrophobicContact CE1-CG 4.06Å; F287-V340 HydrophobicContact CE1-CG2 4.05Å; F287-V340 HydrophobicContact CZ-CG2 4.08Å |
| 288 | E | 93.5 | Very high | 90.5 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.2 | -72.9 | 174.6 | -162.7 | 0 | 0 | 112.6 | R284 K285 E291 K292 | R284-E288 WeakPolarHBondContact O-CG 3.45Å; R284-E288 PolarHBondContact O-N 3.38Å; K285-E288 PolarHBondContact O-N 3.26Å; E288-E291 PolarHBondContact O-N 3.21Å; E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.34Å; E288-K292 PolarHBondContact O-N 2.95Å |
| 289 | E | 90.4 | Very high | 91.1 | Very high | 86 Ų | 86 | 42.5 Ų | 42.5 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.9 | -75.8 | -175.2 | -175.7 | 0 | 0 | 112.1 | F264 K285 K292 N293 | F264-E289 HydrophobicContact CE2-CB 4.35Å; F264-E289 VanDerWaalsContact CE2-OE2 3.27Å; F264-E289 WeakPolarHBondContact CE2-OE2 3.43Å; K285-E289 WeakPolarHBondContact O-CB 3.49Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 2.89Å; E289-K292 PolarHBondContact O-N 3.5Å; E289-N293 PolarHBondContact O-N 3.35Å; E289-N293 VanDerWaalsContact O-N 3.09Å; E289-N293 PolarHBondContact O-ND2 3.06Å |
| 290 | A | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | A286 F287 K292 N293 A294 A296 I298 V338 | A286-A290 WeakPolarHBondContact O-CB 3.38Å; A286-A290 PolarHBondContact O-N 3.19Å; F287-A290 PolarHBondContact O-N 3.25Å; A290-K292 VanDerWaalsContact C-N 3.33Å; A290-K292 PolarHBondContact O-N 3.46Å; A290-N293 CarbonylContact O-C 3.6Å; A290-N293 PolarHBondContact O-N 3.09Å; A290-A294 PolarHBondContact O-N 3.05Å; A290-A294 VanDerWaalsContact O-N 3.17Å; A290-A296 HydrophobicContact CB-CB 4Å; A290-A296 VanDerWaalsContact O-CB 3.24Å; A290-A296 WeakPolarHBondContact O-CB 3.36Å; A290-I298 HydrophobicContact CB-CD1 3.67Å; A290-I298 HydrophobicContact CB-CG1 3.49Å; A290-I298 VanDerWaalsContact CB-CG1 3.49Å; A290-V338 HydrophobicContact CB-CG1 4.16Å; A290-V338 HydrophobicContact CB-CG2 4.42Å |
| 291 | E | 90.8 | Very high | 91.9 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 175.7 | -71.1 | -160.1 | 154.5 | 0 | 0 | 112.5 | F287 E288 N293 S336 V338 | F287-E291 WeakPolarHBondContact O-CG 3.09Å; F287-E291 PolarHBondContact O-N 3.46Å; E288-E291 PolarHBondContact O-N 3.21Å; E291-N293 VanDerWaalsContact C-N 3.34Å; E291-S336 WeakPolarHBondContact OE1-CB 3.49Å; E291-V338 HydrophobicContact CG-CG2 4.02Å |
| 292 | K | 91 | Very high | 92 | Very high | 159 Ų | 159 | 44.9 Ų | 44.9 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.8 | -32.6 | 176.7 | -74.1 | 169.9 | -173.9 | 168.6 | 0 | 112.9 | E288 E289 A290 | E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.34Å; E288-K292 PolarHBondContact O-N 2.95Å; E289-K292 PolarHBondContact O-N 3.5Å; A290-K292 VanDerWaalsContact C-N 3.33Å; A290-K292 PolarHBondContact O-N 3.46Å |
| 293 | N | 86.2 | Confident | 92.4 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.4 | -177.8 | -66.8 | -71.3 | 0 | 0 | 0 | 113.3 | F262 E289 A290 E291 | F262-N293 HydrophobicContact CB-CB 3.81Å; F262-N293 WeakPolarHBondContact CB-O 3.38Å; F262-N293 HydrophobicContact CD1-CB 3.55Å; F262-N293 HydrophobicContact CD2-CB 3.89Å; F262-N293 HydrophobicContact CE1-CB 4.01Å; F262-N293 HydrophobicContact CE2-CB 4.34Å; F262-N293 HydrophobicContact CG-CB 3.47Å; F262-N293 VanDerWaalsContact CG-CB 3.47Å; F262-N293 HydrophobicContact CZ-CB 4.39Å; E289-N293 PolarHBondContact O-N 3.35Å; E289-N293 VanDerWaalsContact O-N 3.09Å; E289-N293 PolarHBondContact O-ND2 3.06Å; A290-N293 CarbonylContact O-C 3.6Å; A290-N293 PolarHBondContact O-N 3.09Å; E291-N293 VanDerWaalsContact C-N 3.34Å |
| 294 | A | 86.4 | Confident | 92.4 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | trans | -58.3 | 142.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A290 S336 H337 | A290-A294 PolarHBondContact O-N 3.05Å; A290-A294 VanDerWaalsContact O-N 3.17Å; A294-S336 WeakPolarHBondContact CB-O 3.36Å; A294-H337 HydrophobicContact CB-CB 4.36Å | ||
| 295 | P | 88.2 | Confident | 92.2 | Very high | 54 Ų | 54 | 42 Ų | 42 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -71.8 | 134.2 | 5.7 | 29.2 | -34.7 | 0 | 0 | 0 | 113 | L221 S261 F262 H337 | L221-P295 HydrophobicContact CB-CB 4.43Å; L221-P295 HydrophobicContact CD2-CB 4.05Å; S261-P295 CarbonylContact C-O 3.54Å; S261-P295 VanDerWaalsContact CA-O 3.31Å; S261-P295 WeakPolarHBondContact CA-O 3.49Å; S261-P295 WeakPolarHBondContact CB-O 3.47Å; F262-P295 PolarHBondContact N-O 3.47Å; P295-H337 WeakPolarHBondContact CA-O 3.44Å; P295-H337 HydrophobicContact CB-CB 4.36Å |
| 296 | A | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F262 A290 H337 V338 I339 | F262-A296 HydrophobicContact CB-CB 4.04Å; F262-A296 HydrophobicContact CD1-CB 4.17Å; F262-A296 CarbonylContact O-C 3.5Å; F262-A296 VanDerWaalsContact O-CA 3.23Å; F262-A296 WeakPolarHBondContact O-CA 3.15Å; A290-A296 HydrophobicContact CB-CB 4Å; A290-A296 VanDerWaalsContact O-CB 3.24Å; A290-A296 WeakPolarHBondContact O-CB 3.36Å; A296-H337 PolarHBondContact N-O 2.71Å; A296-H337 VanDerWaalsContact N-O 3.09Å; A296-V338 HydrophobicContact CB-CG2 4.31Å; A296-V338 WeakPolarHBondContact O-CA 3.33Å; A296-I339 PolarHBondContact O-N 2.77Å; A296-I339 VanDerWaalsContact O-N 3.08Å |
| 297 | I | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.2 | 171.4 | -62.4 | 177.2 | 0 | 0 | 0 | 108 | V217 L221 V255 A256 F262 F263 F264 I339 M341 | V217-I297 HydrophobicContact CG1-CD1 3.57Å; V217-I297 HydrophobicContact CG1-CG1 4.14Å; L221-I297 HydrophobicContact CD1-CD1 3.94Å; L221-I297 HydrophobicContact CD1-CG1 3.69Å; V255-I297 HydrophobicContact CG1-CD1 4.06Å; A256-I297 HydrophobicContact CB-CB 4.5Å; A256-I297 HydrophobicContact CB-CD1 3.91Å; F262-I297 PolarHBondContact O-N 2.88Å; F263-I297 HydrophobicContact CD2-CB 4.31Å; F263-I297 HydrophobicContact CD2-CG2 4.2Å; F263-I297 HydrophobicContact CE2-CG2 4.33Å; F264-I297 PolarHBondContact N-O 3.43Å; I297-I339 WeakPolarHBondContact CA-O 3.45Å; I297-M341 HydrophobicContact CG2-CB 4.45Å; I297-M341 HydrophobicContact CG2-CG 4.2Å; I297-M341 HydrophobicContact CG2-SD 3.97Å |
| 298 | I | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.3 | 167.2 | -57 | 174.5 | 0 | 0 | 0 | 106.7 | F264 I266 F287 A290 I300 V338 I339 V340 M341 | F264-I298 CarbonylContact O-C 3.46Å; F264-I298 WeakPolarHBondContact O-CA 3.3Å; I266-I298 HydrophobicContact CD1-CG2 3.69Å; I266-I298 HydrophobicContact CG1-CG2 4.26Å; F287-I298 HydrophobicContact CB-CD1 4.31Å; F287-I298 HydrophobicContact CD1-CD1 3.85Å; F287-I298 HydrophobicContact CD2-CD1 3.73Å; F287-I298 HydrophobicContact CE1-CD1 4.05Å; F287-I298 HydrophobicContact CE2-CD1 3.93Å; F287-I298 HydrophobicContact CE2-CG2 4.4Å; F287-I298 HydrophobicContact CG-CD1 3.69Å; F287-I298 HydrophobicContact CZ-CD1 4.09Å; A290-I298 HydrophobicContact CB-CD1 3.67Å; A290-I298 HydrophobicContact CB-CG1 3.49Å; A290-I298 VanDerWaalsContact CB-CG1 3.49Å; I298-I300 HydrophobicContact CG2-CG1 4.31Å; I298-V338 HydrophobicContact CD1-CG1 3.83Å; I298-V338 HydrophobicContact CG1-CG1 3.92Å; I298-I339 PolarHBondContact N-O 2.81Å; I298-V340 HydrophobicContact CB-CG1 4.33Å; I298-V340 HydrophobicContact CB-CG2 4.29Å; I298-V340 HydrophobicContact CD1-CG2 4.31Å; I298-V340 HydrophobicContact CG2-CG1 4.42Å; I298-V340 CarbonylContact O-C 3.58Å; I298-V340 WeakPolarHBondContact O-CA 3.4Å; I298-M341 PolarHBondContact O-N 3.25Å |
| 299 | F | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.5 | 175.4 | -177.1 | -111.8 | 0 | 0 | 0 | 111 | L240 T249 A252 F263 F264 L265 I266 D301 M341 A343 | L240-F299 HydrophobicContact CD1-CE2 4.4Å; T249-F299 HydrophobicContact CG2-CE1 3.84Å; A252-F299 HydrophobicContact CB-CB 4.33Å; A252-F299 HydrophobicContact CB-CD1 3.98Å; A252-F299 HydrophobicContact CB-CD2 3.27Å; A252-F299 HydrophobicContact CB-CE1 4.09Å; A252-F299 HydrophobicContact CB-CE2 3.37Å; A252-F299 HydrophobicContact CB-CG 3.58Å; A252-F299 HydrophobicContact CB-CZ 3.78Å; F263-F299 HydrophobicContact CD2-CB 4.48Å; F263-F299 HydrophobicContact CE2-CB 3.47Å; F263-F299 VanDerWaalsContact CE2-CB 3.47Å; F263-F299 HydrophobicContact CE2-CG 4.18Å; F263-F299 HydrophobicContact CZ-CB 3.5Å; F263-F299 VanDerWaalsContact CZ-CB 3.5Å; F263-F299 AromaticContact CZ-CD1 3.97Å; F263-F299 HydrophobicContact CZ-CD1 3.97Å; F263-F299 AromaticContact CZ-CG 3.96Å; F263-F299 HydrophobicContact CZ-CG 3.96Å; F264-F299 PolarHBondContact O-N 2.96Å; L265-F299 HydrophobicContact CD1-CD1 3.6Å; L265-F299 HydrophobicContact CD1-CE1 4.25Å; I266-F299 PolarHBondContact N-O 2.84Å; F299-D301 HydrophobicContact CD1-CB 4.41Å; F299-D301 HydrophobicContact CE1-CB 3.81Å; F299-D301 HydrophobicContact CZ-CB 4.48Å; F299-M341 CarbonylContact C-O 3.51Å; F299-M341 VanDerWaalsContact CA-O 3.24Å; F299-M341 WeakPolarHBondContact CA-O 3.33Å; F299-M341 HydrophobicContact CD2-CB 3.66Å; F299-M341 HydrophobicContact CE2-CB 4.36Å; F299-A343 HydrophobicContact CE2-CB 3.85Å; F299-A343 HydrophobicContact CZ-CB 3.48Å; F299-A343 VanDerWaalsContact CZ-CB 3.48Å |
| 300 | I | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 103.3 | 176.9 | -54.1 | 178.5 | 0 | 0 | 0 | 108.6 | I266 I298 L303 I306 L325 V340 M341 A342 A343 | I266-I300 HydrophobicContact CB-CG1 4.29Å; I266-I300 HydrophobicContact CD1-CG1 4.24Å; I266-I300 CarbonylContact O-C 3.56Å; I266-I300 WeakPolarHBondContact O-CA 3.48Å; I298-I300 HydrophobicContact CG2-CG1 4.31Å; I300-L303 HydrophobicContact CG2-CB 4.42Å; I300-L303 HydrophobicContact CG2-CD1 3.9Å; I300-I306 HydrophobicContact CG2-CD1 3.71Å; I300-I306 HydrophobicContact CG2-CG1 4.42Å; I300-L325 HydrophobicContact CD1-CD1 3.72Å; I300-L325 HydrophobicContact CD1-CD2 4.31Å; I300-V340 HydrophobicContact CD1-CG1 4.06Å; I300-V340 HydrophobicContact CG1-CG1 4.35Å; I300-M341 PolarHBondContact N-O 2.92Å; I300-A342 HydrophobicContact CB-CB 4.11Å; I300-A342 CarbonylContact O-C 3.55Å; I300-A342 WeakPolarHBondContact O-CA 3.48Å; I300-A343 PolarHBondContact O-N 3.46Å |
| 301 | D | 95.6 | Very high | 90.4 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 149.4 | 173 | -145.2 | -12.4 | 0 | 0 | 0 | 110.9 | T249 L265 I266 G268 F299 L303 | T249-D301 WeakPolarHBondContact CG2-OD2 3.29Å; T249-D301 PolarHBondContact OG1-OD2 3.23Å; L265-D301 HydrophobicContact CD1-CB 4.37Å; I266-D301 PolarHBondContact O-N 2.88Å; G268-D301 PolarHBondContact N-O 3.41Å; F299-D301 HydrophobicContact CD1-CB 4.41Å; F299-D301 HydrophobicContact CE1-CB 3.81Å; F299-D301 HydrophobicContact CZ-CB 4.48Å; D301-L303 PolarHBondContact O-N 3.48Å |
| 302 | E | 93.1 | Very high | 89.5 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 49.3 | 52.2 | -176.3 | -58.7 | -168 | 151.7 | 0 | 0 | 113.4 | P269 D304 A305 A343 | P269-E302 WeakPolarHBondContact CD-OE2 3.41Å; P269-E302 WeakPolarHBondContact CG-OE2 3.4Å; E302-D304 PolarHBondContact O-N 3.46Å; E302-D304 VanDerWaalsContact O-N 3.08Å; E302-A305 VanDerWaalsContact O-CB 3.3Å; E302-A305 WeakPolarHBondContact O-CB 3.24Å; E302-A305 PolarHBondContact O-N 3.08Å; E302-A343 PolarHBondContact N-O 3Å |
| 303 | L | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53 | -33.9 | -177.6 | 178.6 | 66.9 | 0 | 0 | 0 | 112.8 | L239 I300 D301 A305 I306 A307 L325 A342 A343 V350 F360 | L239-L303 HydrophobicContact CD1-CD2 3.69Å; I300-L303 HydrophobicContact CG2-CB 4.42Å; I300-L303 HydrophobicContact CG2-CD1 3.9Å; D301-L303 PolarHBondContact O-N 3.48Å; L303-A305 PolarHBondContact O-N 3.23Å; L303-I306 HydrophobicContact CD1-CD1 4.44Å; L303-I306 HydrophobicContact CD1-CG1 4.26Å; L303-I306 PolarHBondContact O-N 3.2Å; L303-A307 HydrophobicContact CD1-CB 3.91Å; L303-A307 HydrophobicContact CG-CB 4.08Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.37Å; L303-L325 HydrophobicContact CD1-CD2 3.72Å; L303-A342 HydrophobicContact CB-CB 4.2Å; L303-A342 HydrophobicContact CD1-CB 4.41Å; L303-A342 HydrophobicContact CD2-CB 3.81Å; L303-A342 HydrophobicContact CG-CB 4.35Å; L303-A343 PolarHBondContact N-O 2.94Å; L303-V350 HydrophobicContact CD2-CG1 3.85Å; L303-V350 HydrophobicContact CD2-CG2 4.3Å; L303-V350 HydrophobicContact CG-CG1 4.36Å; L303-V350 HydrophobicContact CG-CG2 4.45Å; L303-F360 HydrophobicContact CD1-CE2 4.2Å; L303-F360 HydrophobicContact CD2-CD2 3.96Å; L303-F360 HydrophobicContact CD2-CE2 3.65Å; L303-F360 HydrophobicContact CD2-CZ 4.38Å |
| 304 | D | 91.5 | Very high | 88.2 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -21.7 | 178.5 | 49.2 | -60 | 0 | 0 | 0 | 114.1 | E302 T344 S349 V350 | E302-D304 PolarHBondContact O-N 3.46Å; E302-D304 VanDerWaalsContact O-N 3.08Å; D304-T344 VanDerWaalsContact CG-OG1 3.24Å; D304-T344 WeakPolarHBondContact OD1-CB 3.34Å; D304-T344 PolarHBondContact OD1-OG1 3.48Å; D304-S349 WeakPolarHBondContact CB-OG 3.35Å; D304-V350 HydrophobicContact CB-CG2 4.09Å |
| 305 | A | 90.1 | Very high | 87.9 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.6 | -36 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P269 M272 E302 L303 | P269-A305 HydrophobicContact CG-CB 4.39Å; M272-A305 WeakPolarHBondContact CG-O 3.28Å; E302-A305 VanDerWaalsContact O-CB 3.3Å; E302-A305 WeakPolarHBondContact O-CB 3.24Å; E302-A305 PolarHBondContact O-N 3.08Å; L303-A305 PolarHBondContact O-N 3.23Å |
| 306 | I | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -104.2 | -12 | -178 | 61.4 | 166.1 | 0 | 0 | 0 | 113.6 | G268 I271 M272 L283 I300 L303 I321 L325 | G268-I306 WeakPolarHBondContact O-CG2 3.38Å; I271-I306 HydrophobicContact CB-CG2 3.8Å; I271-I306 HydrophobicContact CG2-CG2 3.89Å; M272-I306 HydrophobicContact CG-CG2 3.87Å; M272-I306 HydrophobicContact SD-CG2 4.27Å; L283-I306 HydrophobicContact CD2-CD1 4.48Å; I300-I306 HydrophobicContact CG2-CD1 3.71Å; I300-I306 HydrophobicContact CG2-CG1 4.42Å; L303-I306 HydrophobicContact CD1-CD1 4.44Å; L303-I306 HydrophobicContact CD1-CG1 4.26Å; L303-I306 PolarHBondContact O-N 3.2Å; I306-I321 HydrophobicContact CB-CG2 3.89Å; I306-I321 HydrophobicContact CG2-CG2 4.44Å; I306-I321 WeakPolarHBondContact O-CG2 3.33Å; I306-L325 HydrophobicContact CD1-CD2 4.19Å |
| 307 | A | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -129.2 | 46.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L303 L325 V350 D351 L354 | L303-A307 HydrophobicContact CD1-CB 3.91Å; L303-A307 HydrophobicContact CG-CB 4.08Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.37Å; A307-L325 HydrophobicContact CB-CD2 4.39Å; A307-V350 CarbonylContact O-C 3.57Å; A307-V350 VanDerWaalsContact O-CA 3.3Å; A307-V350 WeakPolarHBondContact O-CA 3.28Å; A307-D351 PolarHBondContact O-N 3.49Å; A307-L354 HydrophobicContact CB-CD1 3.33Å |
| 308 | P | 89.2 | Confident | 86.9 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 160.6 | 176.4 | 31.8 | -39.5 | 0 | 0 | 0 | 112.4 | R310 T313 E318 S349 | P308-R310 PolarHBondContact O-N 3.2Å; P308-R310 VanDerWaalsContact O-N 3.14Å; P308-T313 HydrophobicContact CB-CG2 3.69Å; P308-T313 HydrophobicContact CG-CG2 3.32Å; P308-E318 HydrophobicContact CG-CB 4.34Å; P308-S349 CarbonylContact C-O 3.54Å; P308-S349 WeakPolarHBondContact CA-O 3.35Å |
| 309 | K | 85.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | -55.6 | 115.8 | 171.5 | -83 | 174.9 | 174 | 165.9 | 0 | 111.6 | E311 K312 T313 N348 S349 | K309-E311 PolarHBondContact O-N 3.37Å; K309-E311 VanDerWaalsContact O-N 3.11Å; K309-K312 HydrophobicContact CB-CB 4.45Å; K309-K312 HydrophobicContact CB-CG 4.43Å; K309-K312 PolarHBondContact O-N 2.94Å; K309-T313 PolarHBondContact O-N 3.14Å; K309-N348 WeakPolarHBondContact CE-O 3.26Å; K309-N348 PolarHBondContact NZ-O 3.32Å; K309-S349 PolarHBondContact N-O 2.89Å | ||
| 310 | R | 78.4 | Confident | 86.1 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.5 | -179.7 | -74.2 | 178 | -71.1 | 167.2 | 0.9 | 114.1 | P308 K312 T313 R319 V322 D351 | P308-R310 PolarHBondContact O-N 3.2Å; P308-R310 VanDerWaalsContact O-N 3.14Å; R310-K312 VanDerWaalsContact C-N 3.26Å; R310-K312 PolarHBondContact O-N 3.14Å; R310-T313 VanDerWaalsContact CA-OG1 3.29Å; R310-T313 WeakPolarHBondContact CA-OG1 3.42Å; R310-T313 PolarHBondContact O-N 2.84Å; R310-T313 PolarHBondContact O-OG1 2.77Å; R310-R319 HydrophobicContact CG-CG 4.25Å; R310-R319 PolarHBondContact O-NH1 2.81Å; R310-R319 VanDerWaalsContact O-NH1 3.13Å; R310-R319 PolarHBondContact O-NH2 2.94Å; R310-V322 HydrophobicContact CG-CG1 4.29Å; R310-D351 WeakPolarHBondContact CG-OD2 3.18Å; R310-D351 IonicContact CZ-OD2 3.18Å; R310-D351 IonicContact NE-OD2 3.17Å; R310-D351 PolarHBondContact NE-OD2 3.13Å; R310-D351 IonicContact NH2-OD1 3.65Å; R310-D351 IonicContact NH2-OD2 2.65Å |
| 311 | E | 76.9 | Confident | 85.7 | Confident | 188 Ų | 188 | 65.9 Ų | 65.9 | 88% | 0.879 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.9 | 178.9 | -64.2 | 170.7 | -161.4 | 0 | 0 | 112.9 | K309 | K309-E311 PolarHBondContact O-N 3.37Å; K309-E311 VanDerWaalsContact O-N 3.11Å |
| 312 | K | 73.7 | Confident | 85.6 | Confident | 150 Ų | 150 | 64.6 Ų | 64.6 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16.5 | -179.3 | -65.9 | -168.8 | 173.2 | -166.9 | 0 | 113.4 | K309 R310 | K309-K312 HydrophobicContact CB-CB 4.45Å; K309-K312 HydrophobicContact CB-CG 4.43Å; K309-K312 PolarHBondContact O-N 2.94Å; R310-K312 VanDerWaalsContact C-N 3.26Å; R310-K312 PolarHBondContact O-N 3.14Å |
| 313 | T | 74.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | trans | -84.5 | 125.2 | -179.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | P308 K309 R310 E318 R319 | P308-T313 HydrophobicContact CB-CG2 3.69Å; P308-T313 HydrophobicContact CG-CG2 3.32Å; K309-T313 PolarHBondContact O-N 3.14Å; R310-T313 VanDerWaalsContact CA-OG1 3.29Å; R310-T313 WeakPolarHBondContact CA-OG1 3.42Å; R310-T313 PolarHBondContact O-N 2.84Å; R310-T313 PolarHBondContact O-OG1 2.77Å; T313-E318 WeakPolarHBondContact CB-OE2 3.49Å; T313-E318 HydrophobicContact CG2-CB 4.16Å; T313-E318 WeakPolarHBondContact CG2-OE2 3.33Å; T313-R319 PolarHBondContact O-NE 2.86Å; T313-R319 VanDerWaalsContact O-NE 3.16Å; T313-R319 PolarHBondContact O-NH2 3.36Å | ||
| 314 | H | 75 | Confident | 85.4 | Confident | 191 Ų | 191 | 65 Ų | 65 | 88% | 0.884 | 31% | 0.312 | S | S | * | . | trans | -84.5 | -21.4 | 171.4 | -66 | -72.5 | 0 | 0 | 0 | 112.7 | ||||
| 315 | G | 79.2 | Confident | 85.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | trans | -80.1 | 132.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V317 R319 | G315-V317 VanDerWaalsContact C-N 3.33Å; G315-R319 WeakPolarHBondContact O-CG 3.32Å | ||
| 316 | E | 83.2 | Confident | 85.8 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.2 | -34.6 | 171.8 | -72.6 | -164.4 | -179.6 | 0 | 0 | 112.8 | R319 R320 | E316-R319 PolarHBondContact O-N 3.33Å; E316-R320 WeakPolarHBondContact O-CG 3.44Å; E316-R320 PolarHBondContact O-N 3.16Å; E316-R320 IonicContact OE2-CZ 3.82Å; E316-R320 IonicContact OE2-NE 2.79Å; E316-R320 IonicContact OE2-NH2 3.07Å; E316-R320 PolarHBondContact OE2-NH2 3.02Å |
| 317 | V | 84.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -49.1 | -178 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | A276 G315 R319 R320 I321 | A276-V317 HydrophobicContact CB-CG2 4.02Å; G315-V317 VanDerWaalsContact C-N 3.33Å; V317-R319 VanDerWaalsContact C-N 3.32Å; V317-R319 PolarHBondContact O-N 3.4Å; V317-R320 PolarHBondContact O-N 2.79Å; V317-R320 VanDerWaalsContact O-N 3.12Å; V317-I321 HydrophobicContact CG1-CD1 3.87Å; V317-I321 HydrophobicContact CG1-CG1 4.47Å; V317-I321 WeakPolarHBondContact O-CG1 3.29Å; V317-I321 PolarHBondContact O-N 2.78Å |
| 318 | E | 84.7 | Confident | 86.1 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.4 | -46.9 | 176.3 | -67.2 | 167.5 | 166 | 0 | 0 | 111.5 | M272 P308 T313 R320 I321 V322 | M272-E318 HydrophobicContact CE-CG 3.5Å; P308-E318 HydrophobicContact CG-CB 4.34Å; T313-E318 WeakPolarHBondContact CB-OE2 3.49Å; T313-E318 HydrophobicContact CG2-CB 4.16Å; T313-E318 WeakPolarHBondContact CG2-OE2 3.33Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.31Å; E318-I321 PolarHBondContact O-N 3.15Å; E318-V322 WeakPolarHBondContact O-CG2 3.49Å; E318-V322 PolarHBondContact O-N 3.43Å |
| 319 | R | 87.7 | Confident | 86.3 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 179.3 | -66 | 174.8 | 179.7 | -105.1 | 5.1 | 112.3 | R310 T313 G315 E316 V317 S323 | R310-R319 HydrophobicContact CG-CG 4.25Å; R310-R319 PolarHBondContact O-NH1 2.81Å; R310-R319 VanDerWaalsContact O-NH1 3.13Å; R310-R319 PolarHBondContact O-NH2 2.94Å; T313-R319 PolarHBondContact O-NE 2.86Å; T313-R319 VanDerWaalsContact O-NE 3.16Å; T313-R319 PolarHBondContact O-NH2 3.36Å; G315-R319 WeakPolarHBondContact O-CG 3.32Å; E316-R319 PolarHBondContact O-N 3.33Å; V317-R319 VanDerWaalsContact C-N 3.32Å; V317-R319 PolarHBondContact O-N 3.4Å; R319-S323 WeakPolarHBondContact O-CB 2.96Å; R319-S323 PolarHBondContact O-N 3Å; R319-S323 VanDerWaalsContact O-N 3.08Å; R319-S323 PolarHBondContact O-OG 2.96Å |
| 320 | R | 88.8 | Confident | 86.5 | Confident | 133 Ų | 133 | 68.4 Ų | 68.4 | 50% | 0.502 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 176.2 | -69.7 | 176.6 | -163.3 | -164.6 | 6.7 | 111.4 | E280 E316 V317 E318 S323 Q324 | E280-R320 WeakPolarHBondContact OE1-CB 3.49Å; E316-R320 WeakPolarHBondContact O-CG 3.44Å; E316-R320 PolarHBondContact O-N 3.16Å; E316-R320 IonicContact OE2-CZ 3.82Å; E316-R320 IonicContact OE2-NE 2.79Å; E316-R320 IonicContact OE2-NH2 3.07Å; E316-R320 PolarHBondContact OE2-NH2 3.02Å; V317-R320 PolarHBondContact O-N 2.79Å; V317-R320 VanDerWaalsContact O-N 3.12Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.31Å; R320-S323 PolarHBondContact O-N 3.22Å; R320-Q324 WeakPolarHBondContact O-CB 3.47Å; R320-Q324 PolarHBondContact O-N 3.39Å |
| 321 | I | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.2 | -65.7 | 168.7 | 0 | 0 | 0 | 110.7 | I271 M272 E280 L283 I306 V317 E318 S323 Q324 L325 | I271-I321 HydrophobicContact CG2-CG2 4.44Å; M272-I321 HydrophobicContact SD-CD1 3.54Å; M272-I321 VanDerWaalsContact SD-CD1 3.54Å; E280-I321 HydrophobicContact CG-CG1 4.43Å; L283-I321 HydrophobicContact CD1-CG2 3.87Å; I306-I321 HydrophobicContact CB-CG2 3.89Å; I306-I321 HydrophobicContact CG2-CG2 4.44Å; I306-I321 WeakPolarHBondContact O-CG2 3.33Å; V317-I321 HydrophobicContact CG1-CD1 3.87Å; V317-I321 HydrophobicContact CG1-CG1 4.47Å; V317-I321 WeakPolarHBondContact O-CG1 3.29Å; V317-I321 PolarHBondContact O-N 2.78Å; E318-I321 PolarHBondContact O-N 3.15Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 3.5Å; I321-Q324 PolarHBondContact O-N 3.48Å; I321-L325 PolarHBondContact O-N 2.85Å |
| 322 | V | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.1 | -47 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | R310 E318 Q324 L325 L326 D351 | R310-V322 HydrophobicContact CG-CG1 4.29Å; E318-V322 WeakPolarHBondContact O-CG2 3.49Å; E318-V322 PolarHBondContact O-N 3.43Å; V322-Q324 PolarHBondContact O-N 3Å; V322-L325 PolarHBondContact O-N 3.27Å; V322-L326 HydrophobicContact CG1-CD1 4.05Å; V322-L326 VanDerWaalsContact O-CG 3.29Å; V322-L326 WeakPolarHBondContact O-CG 3.14Å; V322-L326 PolarHBondContact O-N 2.98Å; V322-D351 HydrophobicContact CG1-CB 4Å |
| 323 | S | 91.9 | Very high | 87.9 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | R319 R320 I321 T327 | R319-S323 WeakPolarHBondContact O-CB 2.96Å; R319-S323 PolarHBondContact O-N 3Å; R319-S323 VanDerWaalsContact O-N 3.08Å; R319-S323 PolarHBondContact O-OG 2.96Å; R320-S323 PolarHBondContact O-N 3.22Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 3.5Å; S323-T327 WeakPolarHBondContact O-CB 3.06Å; S323-T327 PolarHBondContact O-N 3.14Å; S323-T327 PolarHBondContact O-OG1 3.06Å |
| 324 | Q | 94 | Very high | 87.7 | Confident | 34 Ų | 34 | 62 Ų | 62 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.3 | -179.9 | 61.5 | 71.7 | 0 | 0 | 111.1 | E280 L283 R320 I321 V322 T327 L328 | E280-Q324 HydrophobicContact CB-CB 4.3Å; E280-Q324 HydrophobicContact CB-CG 3.89Å; E280-Q324 HydrophobicContact CG-CB 4.01Å; E280-Q324 HydrophobicContact CG-CG 4.17Å; L283-Q324 HydrophobicContact CB-CG 4.49Å; L283-Q324 HydrophobicContact CD1-CG 4.46Å; R320-Q324 WeakPolarHBondContact O-CB 3.47Å; R320-Q324 PolarHBondContact O-N 3.39Å; I321-Q324 PolarHBondContact O-N 3.48Å; V322-Q324 PolarHBondContact O-N 3Å; Q324-T327 PolarHBondContact O-N 3.43Å; Q324-L328 HydrophobicContact CG-CD1 4.11Å; Q324-L328 WeakPolarHBondContact O-CG 3.48Å; Q324-L328 PolarHBondContact O-N 3.36Å |
| 325 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.3 | -177.1 | 59.9 | 0 | 0 | 0 | 111.6 | F287 I300 L303 I306 A307 I321 V322 T327 L328 M329 L354 | F287-L325 HydrophobicContact CE2-CD1 4.29Å; F287-L325 HydrophobicContact CZ-CD1 4.17Å; I300-L325 HydrophobicContact CD1-CD1 3.72Å; I300-L325 HydrophobicContact CD1-CD2 4.31Å; L303-L325 HydrophobicContact CD1-CD2 3.72Å; I306-L325 HydrophobicContact CD1-CD2 4.19Å; A307-L325 HydrophobicContact CB-CD2 4.39Å; I321-L325 PolarHBondContact O-N 2.85Å; V322-L325 PolarHBondContact O-N 3.27Å; L325-T327 VanDerWaalsContact C-N 3.32Å; L325-T327 PolarHBondContact O-N 3.32Å; L325-L328 PolarHBondContact O-N 3.1Å; L325-M329 HydrophobicContact CD1-CG 4.38Å; L325-M329 WeakPolarHBondContact O-CG 3.34Å; L325-M329 PolarHBondContact O-N 2.89Å; L325-L354 HydrophobicContact CD2-CD1 3.97Å; L325-L354 HydrophobicContact CD2-CD2 4.18Å; L325-L354 HydrophobicContact CG-CD2 4.06Å |
| 326 | L | 93.9 | Very high | 86.9 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 173.6 | -74.7 | 167.3 | 0 | 0 | 0 | 111.6 | V322 L328 M329 D330 A353 L354 | V322-L326 HydrophobicContact CG1-CD1 4.05Å; V322-L326 VanDerWaalsContact O-CG 3.29Å; V322-L326 WeakPolarHBondContact O-CG 3.14Å; V322-L326 PolarHBondContact O-N 2.98Å; L326-L328 PolarHBondContact O-N 2.65Å; L326-M329 PolarHBondContact O-N 3.32Å; L326-D330 VanDerWaalsContact O-CG 3.29Å; L326-D330 PolarHBondContact O-N 2.86Å; L326-A353 HydrophobicContact CD1-CB 4.18Å; L326-A353 HydrophobicContact CD2-CB 3.86Å; L326-L354 HydrophobicContact CD2-CD2 3.56Å; L326-L354 HydrophobicContact CD2-CG 3.77Å; L326-L354 HydrophobicContact CG-CD2 3.98Å; L326-L354 HydrophobicContact CG-CG 4.25Å |
| 327 | T | 94.2 | Very high | 87 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | S323 Q324 L325 G331 | S323-T327 WeakPolarHBondContact O-CB 3.06Å; S323-T327 PolarHBondContact O-N 3.14Å; S323-T327 PolarHBondContact O-OG1 3.06Å; Q324-T327 PolarHBondContact O-N 3.43Å; L325-T327 VanDerWaalsContact C-N 3.32Å; L325-T327 PolarHBondContact O-N 3.32Å; T327-G331 PolarHBondContact O-N 3.25Å |
| 328 | L | 94.8 | Very high | 87.4 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 178.1 | -74.4 | 168.2 | 0 | 0 | 0 | 112.1 | L283 R284 F287 Q324 L325 L326 D330 G331 L332 | L283-L328 HydrophobicContact CB-CD1 3.79Å; R284-L328 HydrophobicContact CG-CD1 4.45Å; R284-L328 HydrophobicContact CG-CD2 4.22Å; F287-L328 HydrophobicContact CB-CD2 4.04Å; F287-L328 HydrophobicContact CD1-CB 3.8Å; F287-L328 HydrophobicContact CD1-CD2 4.28Å; F287-L328 HydrophobicContact CD1-CG 4.47Å; F287-L328 HydrophobicContact CD2-CB 4.35Å; F287-L328 HydrophobicContact CD2-CD1 3.93Å; F287-L328 HydrophobicContact CE1-CB 3.7Å; F287-L328 HydrophobicContact CE2-CB 4.27Å; F287-L328 HydrophobicContact CE2-CD1 4.18Å; F287-L328 HydrophobicContact CG-CB 4.13Å; F287-L328 HydrophobicContact CG-CD1 4.21Å; F287-L328 HydrophobicContact CG-CD2 4.07Å; F287-L328 HydrophobicContact CG-CG 4.36Å; F287-L328 HydrophobicContact CZ-CB 3.95Å; Q324-L328 HydrophobicContact CG-CD1 4.11Å; Q324-L328 WeakPolarHBondContact O-CG 3.48Å; Q324-L328 PolarHBondContact O-N 3.36Å; L325-L328 PolarHBondContact O-N 3.1Å; L326-L328 PolarHBondContact O-N 2.65Å; L328-D330 PolarHBondContact O-N 3.26Å; L328-G331 PolarHBondContact O-N 2.85Å; L328-L332 PolarHBondContact O-N 2.81Å |
| 329 | M | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.7 | -71.2 | -63.5 | -68.3 | 0 | 0 | 112.2 | F287 L325 L326 G331 L332 V340 R359 F360 | F287-M329 HydrophobicContact CE1-SD 4.28Å; F287-M329 HydrophobicContact CZ-SD 4.13Å; L325-M329 HydrophobicContact CD1-CG 4.38Å; L325-M329 WeakPolarHBondContact O-CG 3.34Å; L325-M329 PolarHBondContact O-N 2.89Å; L326-M329 PolarHBondContact O-N 3.32Å; M329-G331 VanDerWaalsContact C-N 3.31Å; M329-G331 PolarHBondContact O-N 3.41Å; M329-L332 HydrophobicContact SD-CD1 4.37Å; M329-V340 HydrophobicContact CE-CB 4.02Å; M329-V340 HydrophobicContact CE-CG1 4.47Å; M329-V340 HydrophobicContact CE-CG2 4.27Å; M329-V340 HydrophobicContact SD-CB 3.77Å; M329-V340 HydrophobicContact SD-CG1 3.88Å; M329-V340 HydrophobicContact SD-CG2 3.62Å; M329-R359 HydrophobicContact CB-CG 4.14Å; M329-R359 HydrophobicContact CE-CB 4.31Å; M329-F360 HydrophobicContact CE-CD1 4.33Å; M329-F360 HydrophobicContact CE-CE1 4.05Å; M329-F360 HydrophobicContact CE-CZ 4.19Å; M329-F360 HydrophobicContact SD-CZ 4.39Å |
| 330 | D | 91.3 | Very high | 88.2 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.2 | -34.4 | 177.6 | -68.3 | -13.8 | 0 | 0 | 0 | 111.5 | R236 L326 L328 L332 R359 | R236-D330 PolarHBondContact NH1-O 3.26Å; L326-D330 VanDerWaalsContact O-CG 3.29Å; L326-D330 PolarHBondContact O-N 2.86Å; L328-D330 PolarHBondContact O-N 3.26Å; D330-L332 VanDerWaalsContact C-N 3.35Å; D330-L332 PolarHBondContact O-N 3.24Å; D330-R359 IonicContact OD1-CZ 3.95Å; D330-R359 IonicContact OD1-NE 3.4Å; D330-R359 PolarHBondContact OD1-NE 2.81Å; D330-R359 IonicContact OD1-NH2 3.6Å; D330-R359 PolarHBondContact OD1-NH2 3.41Å; D330-R359 IonicContact OD2-CZ 2.85Å; D330-R359 IonicContact OD2-NE 3.44Å; D330-R359 IonicContact OD2-NH2 3.85Å; D330-R359 PolarHBondContact OD2-NH2 2.86Å |
| 331 | G | 90.2 | Very high | 88.5 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.2 | -16.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T327 L328 M329 K333 | T327-G331 PolarHBondContact O-N 3.25Å; L328-G331 PolarHBondContact O-N 2.85Å; M329-G331 VanDerWaalsContact C-N 3.31Å; M329-G331 PolarHBondContact O-N 3.41Å; G331-K333 PolarHBondContact O-N 2.86Å |
| 332 | L | 87.7 | Confident | 88.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -58.8 | 118.7 | -179.9 | -75.9 | 174.1 | 0 | 0 | 0 | 111.7 | R236 F287 L328 M329 D330 V338 V340 | R236-L332 PolarHBondContact NH1-O 2.72Å; R236-L332 VanDerWaalsContact NH1-O 3.1Å; R236-L332 PolarHBondContact NH2-O 3.15Å; F287-L332 HydrophobicContact CD1-CD2 3.81Å; F287-L332 HydrophobicContact CD1-CG 4.19Å; F287-L332 HydrophobicContact CE1-CD1 3.98Å; F287-L332 HydrophobicContact CE1-CD2 4.1Å; F287-L332 HydrophobicContact CE1-CG 4.06Å; L328-L332 PolarHBondContact O-N 2.81Å; M329-L332 HydrophobicContact SD-CD1 4.37Å; D330-L332 VanDerWaalsContact C-N 3.35Å; D330-L332 PolarHBondContact O-N 3.24Å; L332-V338 HydrophobicContact CD2-CB 4.28Å; L332-V338 HydrophobicContact CD2-CG1 4.31Å; L332-V340 HydrophobicContact CD1-CG2 3.59Å | ||
| 333 | K | 80.5 | Confident | 89.1 | Confident | 146 Ų | 146 | 43.8 Ų | 43.8 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | trans | -78.9 | 141.4 | -179.2 | -65.6 | 175.2 | -174.7 | 164.2 | 0 | 110.3 | G331 R335 S336 | G331-K333 PolarHBondContact O-N 2.86Å; K333-R335 PolarHBondContact O-N 3.02Å; K333-S336 PolarHBondContact O-N 3.35Å; K333-S336 PolarHBondContact O-OG 3.46Å | ||
| 334 | Q | 68.6 | Low | 89.1 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.9 | 178.2 | -172 | 177.3 | -2.2 | 0 | 0 | 113.8 | ||
| 335 | R | 68.9 | Low | 88.6 | Confident | 224 Ų | 224 | 42.1 Ų | 42.1 | 85% | 0.845 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.5 | -180 | -40.6 | -173.8 | -156.9 | -178.4 | 6.1 | 113.3 | K333 H337 | K333-R335 PolarHBondContact O-N 3.02Å; R335-H337 PolarHBondContact O-CD2 3.25Å; R335-H337 PolarHBondContact O-N 3.01Å |
| 336 | S | 69.8 | Low | 88 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -76.4 | -10.8 | -174.1 | 64.3 | 0 | 0 | 0 | 0 | 113 | E291 A294 K333 V338 | E291-S336 WeakPolarHBondContact OE1-CB 3.49Å; A294-S336 WeakPolarHBondContact CB-O 3.36Å; K333-S336 PolarHBondContact O-N 3.35Å; K333-S336 PolarHBondContact O-OG 3.46Å; S336-V338 VanDerWaalsContact O-CG2 3.31Å; S336-V338 WeakPolarHBondContact O-CG2 3.2Å; S336-V338 PolarHBondContact O-N 2.72Å |
| 337 | H | 84.5 | Confident | 87.5 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | trans | 48.7 | 36.7 | -179.8 | -61.3 | -68.9 | 0 | 0 | 0 | 112.6 | L221 P224 A294 P295 A296 R335 | L221-H337 WeakPolarHBondContact CD2-O 3.31Å; P224-H337 WeakPolarHBondContact CB-CE1 3.5Å; A294-H337 HydrophobicContact CB-CB 4.36Å; P295-H337 WeakPolarHBondContact CA-O 3.44Å; P295-H337 HydrophobicContact CB-CB 4.36Å; A296-H337 PolarHBondContact N-O 2.71Å; A296-H337 VanDerWaalsContact N-O 3.09Å; R335-H337 PolarHBondContact O-CD2 3.25Å; R335-H337 PolarHBondContact O-N 3.01Å | ||
| 338 | V | 91.7 | Very high | 87 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | A290 E291 A296 I298 L332 S336 | A290-V338 HydrophobicContact CB-CG1 4.16Å; A290-V338 HydrophobicContact CB-CG2 4.42Å; E291-V338 HydrophobicContact CG-CG2 4.02Å; A296-V338 HydrophobicContact CB-CG2 4.31Å; A296-V338 WeakPolarHBondContact O-CA 3.33Å; I298-V338 HydrophobicContact CD1-CG1 3.83Å; I298-V338 HydrophobicContact CG1-CG1 3.92Å; L332-V338 HydrophobicContact CD2-CB 4.28Å; L332-V338 HydrophobicContact CD2-CG1 4.31Å; S336-V338 VanDerWaalsContact O-CG2 3.31Å; S336-V338 WeakPolarHBondContact O-CG2 3.2Å; S336-V338 PolarHBondContact O-N 2.72Å |
| 339 | I | 93.1 | Very high | 86.5 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.6 | 171.6 | -63.9 | 179.8 | 0 | 0 | 0 | 108.5 | V217 P220 L221 A296 I297 I298 | V217-I339 HydrophobicContact CB-CD1 4.43Å; V217-I339 HydrophobicContact CG1-CD1 4.16Å; V217-I339 HydrophobicContact CG1-CG2 4.27Å; V217-I339 HydrophobicContact CG2-CG2 4.29Å; P220-I339 HydrophobicContact CB-CD1 4.22Å; P220-I339 HydrophobicContact CG-CD1 4.42Å; L221-I339 HydrophobicContact CD1-CD1 4.13Å; L221-I339 HydrophobicContact CD2-CD1 4.09Å; L221-I339 HydrophobicContact CD2-CG1 4.12Å; L221-I339 HydrophobicContact CG-CD1 3.8Å; L221-I339 HydrophobicContact CG-CG1 4.34Å; A296-I339 PolarHBondContact O-N 2.77Å; A296-I339 VanDerWaalsContact O-N 3.08Å; I297-I339 WeakPolarHBondContact CA-O 3.45Å; I298-I339 PolarHBondContact N-O 2.81Å |
| 340 | V | 95.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.3 | 177.3 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | R236 G237 I238 F287 I298 I300 M329 L332 F360 | R236-V340 PolarHBondContact O-N 3.15Å; G237-V340 CarbonylContact C-O 3.59Å; G237-V340 WeakPolarHBondContact CA-O 3.15Å; I238-V340 PolarHBondContact N-O 3.24Å; F287-V340 HydrophobicContact CE1-CG2 4.05Å; F287-V340 HydrophobicContact CZ-CG2 4.08Å; I298-V340 HydrophobicContact CB-CG1 4.33Å; I298-V340 HydrophobicContact CB-CG2 4.29Å; I298-V340 HydrophobicContact CD1-CG2 4.31Å; I298-V340 HydrophobicContact CG2-CG1 4.42Å; I298-V340 CarbonylContact O-C 3.58Å; I298-V340 WeakPolarHBondContact O-CA 3.4Å; I300-V340 HydrophobicContact CD1-CG1 4.06Å; I300-V340 HydrophobicContact CG1-CG1 4.35Å; M329-V340 HydrophobicContact CE-CB 4.02Å; M329-V340 HydrophobicContact CE-CG1 4.47Å; M329-V340 HydrophobicContact CE-CG2 4.27Å; M329-V340 HydrophobicContact SD-CB 3.77Å; M329-V340 HydrophobicContact SD-CG1 3.88Å; M329-V340 HydrophobicContact SD-CG2 3.62Å; L332-V340 HydrophobicContact CD1-CG2 3.59Å; V340-F360 HydrophobicContact CB-CE1 4.3Å; V340-F360 HydrophobicContact CG1-CE1 3.88Å; V340-F360 HydrophobicContact CG1-CZ 3.96Å |
| 341 | M | 97 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.7 | 168.1 | -68.9 | 177.6 | 65.8 | 0 | 0 | 108.2 | I213 V217 I238 L240 A252 V255 I297 I298 F299 I300 | I213-M341 HydrophobicContact CG2-CE 4.37Å; V217-M341 HydrophobicContact CG1-SD 4.26Å; V217-M341 HydrophobicContact CG2-CG 4.43Å; V217-M341 HydrophobicContact CG2-SD 4.06Å; I238-M341 HydrophobicContact CB-CG 4.47Å; I238-M341 CarbonylContact O-C 3.54Å; I238-M341 WeakPolarHBondContact O-CA 3.2Å; L240-M341 HydrophobicContact CD1-CE 3.84Å; L240-M341 HydrophobicContact CD2-CE 4.47Å; L240-M341 HydrophobicContact CG-CE 4.35Å; A252-M341 HydrophobicContact CB-CE 3.96Å; V255-M341 HydrophobicContact CG1-SD 4.42Å; I297-M341 HydrophobicContact CG2-CB 4.45Å; I297-M341 HydrophobicContact CG2-CG 4.2Å; I297-M341 HydrophobicContact CG2-SD 3.97Å; I298-M341 PolarHBondContact O-N 3.25Å; F299-M341 CarbonylContact C-O 3.51Å; F299-M341 VanDerWaalsContact CA-O 3.24Å; F299-M341 WeakPolarHBondContact CA-O 3.33Å; F299-M341 HydrophobicContact CD2-CB 3.66Å; F299-M341 HydrophobicContact CE2-CB 4.36Å; I300-M341 PolarHBondContact N-O 2.92Å |
| 342 | A | 97.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I238 L239 L240 I300 L303 F360 | I238-A342 PolarHBondContact O-N 3.35Å; L239-A342 CarbonylContact C-O 3.48Å; L239-A342 HydrophobicContact CD1-CB 3.99Å; L240-A342 PolarHBondContact N-O 3.45Å; I300-A342 HydrophobicContact CB-CB 4.11Å; I300-A342 CarbonylContact O-C 3.55Å; I300-A342 WeakPolarHBondContact O-CA 3.48Å; L303-A342 HydrophobicContact CB-CB 4.2Å; L303-A342 HydrophobicContact CD1-CB 4.41Å; L303-A342 HydrophobicContact CD2-CB 3.81Å; L303-A342 HydrophobicContact CG-CB 4.35Å; A342-F360 HydrophobicContact CB-CD1 4.27Å; A342-F360 HydrophobicContact CB-CE1 3.55Å; A342-F360 HydrophobicContact CB-CE2 4.06Å; A342-F360 HydrophobicContact CB-CZ 3.44Å; A342-F360 VanDerWaalsContact CB-CZ 3.44Å |
| 343 | A | 96.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L240 K248 F299 I300 E302 L303 | L240-A343 CarbonylContact O-C 3.59Å; L240-A343 VanDerWaalsContact O-CA 3.28Å; L240-A343 WeakPolarHBondContact O-CA 3.37Å; K248-A343 HydrophobicContact CB-CB 3.85Å; K248-A343 HydrophobicContact CD-CB 4.06Å; F299-A343 HydrophobicContact CE2-CB 3.85Å; F299-A343 HydrophobicContact CZ-CB 3.48Å; F299-A343 VanDerWaalsContact CZ-CB 3.48Å; I300-A343 PolarHBondContact O-N 3.46Å; E302-A343 PolarHBondContact N-O 3Å; L303-A343 PolarHBondContact N-O 2.94Å |
| 344 | T | 92 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.9 | 173.2 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | L239 L240 Y241 G242 D304 R346 P347 V350 | L239-T344 HydrophobicContact CD1-CG2 3.82Å; L239-T344 HydrophobicContact CD2-CG2 4.42Å; L239-T344 HydrophobicContact CG-CG2 4.31Å; L240-T344 PolarHBondContact O-N 2.8Å; Y241-T344 VanDerWaalsContact CA-O 3.3Å; Y241-T344 WeakPolarHBondContact CA-O 3.46Å; G242-T344 PolarHBondContact N-O 2.87Å; D304-T344 VanDerWaalsContact CG-OG1 3.24Å; D304-T344 WeakPolarHBondContact OD1-CB 3.34Å; D304-T344 PolarHBondContact OD1-OG1 3.48Å; T344-R346 PolarHBondContact OG1-N 3.26Å; T344-R346 PolarHBondContact OG1-O 2.97Å; T344-P347 HydrophobicContact CG2-CB 4.19Å; T344-V350 HydrophobicContact CG2-CG2 4.17Å |
| 345 | N | 84.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -87.5 | -12.8 | 168.4 | -58.7 | -45.9 | 0 | 0 | 0 | 111.7 | G242 P244 K248 | G242-N345 WeakPolarHBondContact O-CA 3.38Å; G242-N345 PolarHBondContact O-OD1 2.66Å; P244-N345 WeakPolarHBondContact CA-OD1 3.29Å; K248-N345 VanDerWaalsContact CE-OD1 3.25Å; K248-N345 WeakPolarHBondContact CE-OD1 3.35Å; K248-N345 PolarHBondContact NZ-OD1 3.42Å |
| 346 | R | 82.5 | Confident | 89.3 | Confident | 137 Ų | 137 | 33.4 Ų | 33.4 | 52% | 0.517 | 16% | 0.158 | S | C | . | . | trans | -132.6 | 70.9 | -170.1 | -63.8 | 176.4 | 176.1 | 171.7 | -2 | 110.2 | T344 N348 S349 E463 | T344-R346 PolarHBondContact OG1-N 3.26Å; T344-R346 PolarHBondContact OG1-O 2.97Å; R346-N348 PolarHBondContact O-N 3.02Å; R346-S349 VanDerWaalsContact CB-OG 3.29Å; R346-S349 WeakPolarHBondContact CB-OG 3.4Å; R346-S349 PolarHBondContact O-N 3.35Å; R346-S349 PolarHBondContact O-OG 3.29Å; R346-E463 IonicContact NH2-OE1 3.86Å | ||
| 347 | P | 81.9 | Confident | 90.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.4 | -175.9 | 25.6 | -35.9 | 0 | 0 | 0 | 114.1 | Y241 T344 R355 | Y241-P347 HydrophobicContact CD2-CB 4.39Å; Y241-P347 HydrophobicContact CD2-CG 3.89Å; Y241-P347 HydrophobicContact CG-CB 4.24Å; Y241-P347 HydrophobicContact CG-CG 4.21Å; T344-P347 HydrophobicContact CG2-CB 4.19Å; P347-R355 PolarHBondContact O-NH1 3.49Å |
| 348 | N | 83.5 | Confident | 90.1 | Very high | 63 Ų | 63 | 40 Ų | 40 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15.4 | 178.6 | -66.5 | -26.1 | 0 | 0 | 0 | 114.6 | K309 R346 D561 | K309-N348 WeakPolarHBondContact CE-O 3.26Å; K309-N348 PolarHBondContact NZ-O 3.32Å; R346-N348 PolarHBondContact O-N 3.02Å; N348-D561 PolarHBondContact ND2-OD2 2.95Å |
| 349 | S | 85.1 | Confident | 90.2 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -22.2 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | D304 P308 K309 R346 | D304-S349 WeakPolarHBondContact CB-OG 3.35Å; P308-S349 CarbonylContact C-O 3.54Å; P308-S349 WeakPolarHBondContact CA-O 3.35Å; K309-S349 PolarHBondContact N-O 2.89Å; R346-S349 VanDerWaalsContact CB-OG 3.29Å; R346-S349 WeakPolarHBondContact CB-OG 3.4Å; R346-S349 PolarHBondContact O-N 3.35Å; R346-S349 PolarHBondContact O-OG 3.29Å |
| 350 | V | 89.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 139.2 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | L303 D304 A307 T344 P352 L354 | L303-V350 HydrophobicContact CD2-CG1 3.85Å; L303-V350 HydrophobicContact CD2-CG2 4.3Å; L303-V350 HydrophobicContact CG-CG1 4.36Å; L303-V350 HydrophobicContact CG-CG2 4.45Å; D304-V350 HydrophobicContact CB-CG2 4.09Å; A307-V350 CarbonylContact O-C 3.57Å; A307-V350 VanDerWaalsContact O-CA 3.3Å; A307-V350 WeakPolarHBondContact O-CA 3.28Å; T344-V350 HydrophobicContact CG2-CG2 4.17Å; V350-P352 WeakPolarHBondContact O-CD 3.38Å; V350-L354 HydrophobicContact CG1-CD1 4.38Å |
| 351 | D | 92.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -57.2 | 121.2 | 177.5 | -168.9 | -61.4 | 0 | 0 | 0 | 110.8 | A307 R310 V322 A353 L354 | A307-D351 PolarHBondContact O-N 3.49Å; R310-D351 WeakPolarHBondContact CG-OD2 3.18Å; R310-D351 IonicContact CZ-OD2 3.18Å; R310-D351 IonicContact NE-OD2 3.17Å; R310-D351 PolarHBondContact NE-OD2 3.13Å; R310-D351 IonicContact NH2-OD1 3.65Å; R310-D351 IonicContact NH2-OD2 2.65Å; V322-D351 HydrophobicContact CG1-CB 4Å; D351-A353 PolarHBondContact O-N 2.82Å; D351-A353 WeakPolarHBondContact OD1-CA 3.44Å; D351-A353 WeakPolarHBondContact OD1-CB 3.47Å; D351-A353 PolarHBondContact OD1-N 3.45Å; D351-L354 PolarHBondContact O-N 3.21Å | ||
| 352 | P | 89.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.1 | -178.5 | -26.9 | 34.4 | 0 | 0 | 0 | 114.4 | V350 L354 R355 R356 | V350-P352 WeakPolarHBondContact O-CD 3.38Å; P352-L354 VanDerWaalsContact C-N 3.3Å; P352-L354 PolarHBondContact O-N 3.2Å; P352-R355 PolarHBondContact O-N 2.86Å; P352-R356 WeakPolarHBondContact O-CG 3.33Å |
| 353 | A | 92.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L326 D351 R355 R356 R359 | L326-A353 HydrophobicContact CD1-CB 4.18Å; L326-A353 HydrophobicContact CD2-CB 3.86Å; D351-A353 PolarHBondContact O-N 2.82Å; D351-A353 WeakPolarHBondContact OD1-CA 3.44Å; D351-A353 WeakPolarHBondContact OD1-CB 3.47Å; D351-A353 PolarHBondContact OD1-N 3.45Å; A353-R355 VanDerWaalsContact C-N 3.26Å; A353-R355 PolarHBondContact O-N 3.1Å; A353-R356 PolarHBondContact O-N 2.8Å; A353-R359 WeakPolarHBondContact O-CD 3.29Å; A353-R359 PolarHBondContact O-NH1 3.13Å |
| 354 | L | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.6 | 179.2 | -76.7 | 167.7 | 0 | 0 | 0 | 113 | A307 L325 L326 V350 D351 P352 R356 R359 F360 | A307-L354 HydrophobicContact CB-CD1 3.33Å; L325-L354 HydrophobicContact CD2-CD1 3.97Å; L325-L354 HydrophobicContact CD2-CD2 4.18Å; L325-L354 HydrophobicContact CG-CD2 4.06Å; L326-L354 HydrophobicContact CD2-CD2 3.56Å; L326-L354 HydrophobicContact CD2-CG 3.77Å; L326-L354 HydrophobicContact CG-CD2 3.98Å; L326-L354 HydrophobicContact CG-CG 4.25Å; V350-L354 HydrophobicContact CG1-CD1 4.38Å; D351-L354 PolarHBondContact O-N 3.21Å; P352-L354 VanDerWaalsContact C-N 3.3Å; P352-L354 PolarHBondContact O-N 3.2Å; L354-R356 VanDerWaalsContact C-N 3.32Å; L354-R359 WeakPolarHBondContact O-CB 3.43Å; L354-F360 HydrophobicContact CB-CD2 4.04Å; L354-F360 HydrophobicContact CD2-CE2 4.37Å; L354-F360 WeakPolarHBondContact O-CB 3.39Å; L354-F360 PolarHBondContact O-N 3.45Å |
| 355 | R | 91.6 | Very high | 88.3 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.5 | -178.7 | -60.2 | 173.5 | 62.5 | -177.4 | -1.2 | 113.7 | L239 P347 P352 A353 E363 | L239-R355 HydrophobicContact CD2-CG 4.33Å; P347-R355 PolarHBondContact O-NH1 3.49Å; P352-R355 PolarHBondContact O-N 2.86Å; A353-R355 VanDerWaalsContact C-N 3.26Å; A353-R355 PolarHBondContact O-N 3.1Å; R355-E363 IonicContact CZ-OE1 2.72Å; R355-E363 IonicContact CZ-OE2 2.78Å; R355-E363 IonicContact NE-OE1 3.14Å; R355-E363 PolarHBondContact NE-OE1 2.61Å; R355-E363 IonicContact NE-OE2 2.85Å; R355-E363 VanDerWaalsContact NH2-CD 3.29Å; R355-E363 IonicContact NH2-OE1 2.89Å; R355-E363 PolarHBondContact NH2-OE1 2.94Å; R355-E363 IonicContact NH2-OE2 3.39Å; R355-E363 PolarHBondContact NH2-OE2 3.5Å |
| 356 | R | 89.7 | Confident | 88.5 | Confident | 158 Ų | 158 | 53.5 Ų | 53.5 | 60% | 0.596 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -84.9 | 161.7 | -179.9 | -62.9 | -179.5 | -171.7 | 173.9 | 0.9 | 111.9 | P352 A353 L354 G358 R359 | P352-R356 WeakPolarHBondContact O-CG 3.33Å; A353-R356 PolarHBondContact O-N 2.8Å; L354-R356 VanDerWaalsContact C-N 3.32Å; R356-G358 PolarHBondContact O-N 2.78Å; R356-R359 PolarHBondContact O-N 3.01Å |
| 357 | F | 85.9 | Confident | 88.5 | Confident | 192 Ų | 192 | 48 Ų | 48 | 84% | 0.842 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 133.1 | 176.6 | -174 | -102.6 | 0 | 0 | 0 | 113.1 | D361 | F357-D361 HydrophobicContact CD2-CB 4.49Å; F357-D361 WeakPolarHBondContact CD2-OD2 3.5Å |
| 358 | G | 84.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R356 D361 | R356-G358 PolarHBondContact O-N 2.78Å; G358-D361 PolarHBondContact N-OD2 3.13Å |
| 359 | R | 92.9 | Very high | 88.4 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -121 | -121.9 | 178.7 | -60 | 171.1 | -176 | 152.8 | -1.3 | 109.6 | G237 M329 D330 A353 L354 R356 D361 | G237-R359 CarbonylContact C-O 3.6Å; G237-R359 WeakPolarHBondContact CA-O 3.43Å; G237-R359 PolarHBondContact N-O 2.73Å; G237-R359 VanDerWaalsContact N-O 3.09Å; M329-R359 HydrophobicContact CB-CG 4.14Å; M329-R359 HydrophobicContact CE-CB 4.31Å; D330-R359 IonicContact OD1-CZ 3.95Å; D330-R359 IonicContact OD1-NE 3.4Å; D330-R359 PolarHBondContact OD1-NE 2.81Å; D330-R359 IonicContact OD1-NH2 3.6Å; D330-R359 PolarHBondContact OD1-NH2 3.41Å; D330-R359 IonicContact OD2-CZ 2.85Å; D330-R359 IonicContact OD2-NE 3.44Å; D330-R359 IonicContact OD2-NH2 3.85Å; D330-R359 PolarHBondContact OD2-NH2 2.86Å; A353-R359 WeakPolarHBondContact O-CD 3.29Å; A353-R359 PolarHBondContact O-NH1 3.13Å; L354-R359 WeakPolarHBondContact O-CB 3.43Å; R356-R359 PolarHBondContact O-N 3.01Å; R359-D361 PolarHBondContact O-N 3.01Å |
| 360 | F | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.9 | 60 | 167.8 | -59.1 | -57.2 | 0 | 0 | 0 | 110.5 | L239 L303 M329 V340 A342 L354 R362 | L239-F360 HydrophobicContact CB-CB 3.96Å; L239-F360 HydrophobicContact CB-CD1 4.49Å; L239-F360 HydrophobicContact CB-CG 4.27Å; L303-F360 HydrophobicContact CD1-CE2 4.2Å; L303-F360 HydrophobicContact CD2-CD2 3.96Å; L303-F360 HydrophobicContact CD2-CE2 3.65Å; L303-F360 HydrophobicContact CD2-CZ 4.38Å; M329-F360 HydrophobicContact CE-CD1 4.33Å; M329-F360 HydrophobicContact CE-CE1 4.05Å; M329-F360 HydrophobicContact CE-CZ 4.19Å; M329-F360 HydrophobicContact SD-CZ 4.39Å; V340-F360 HydrophobicContact CB-CE1 4.3Å; V340-F360 HydrophobicContact CG1-CE1 3.88Å; V340-F360 HydrophobicContact CG1-CZ 3.96Å; A342-F360 HydrophobicContact CB-CD1 4.27Å; A342-F360 HydrophobicContact CB-CE1 3.55Å; A342-F360 HydrophobicContact CB-CE2 4.06Å; A342-F360 HydrophobicContact CB-CZ 3.44Å; A342-F360 VanDerWaalsContact CB-CZ 3.44Å; L354-F360 HydrophobicContact CB-CD2 4.04Å; L354-F360 HydrophobicContact CD2-CE2 4.37Å; L354-F360 WeakPolarHBondContact O-CB 3.39Å; L354-F360 PolarHBondContact O-N 3.45Å; F360-R362 PolarHBondContact O-N 2.82Å |
| 361 | D | 83.4 | Confident | 87.9 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 23% | 0.225 | 25% | 0.25 | C | S | . | . | trans | -82.2 | 2.6 | -179.3 | 61 | -1.1 | 0 | 0 | 0 | 113.6 | F357 G358 R359 | F357-D361 HydrophobicContact CD2-CB 4.49Å; F357-D361 WeakPolarHBondContact CD2-OD2 3.5Å; G358-D361 PolarHBondContact N-OD2 3.13Å; R359-D361 PolarHBondContact O-N 3.01Å | ||
| 362 | R | 88.6 | Confident | 87.6 | Confident | 137 Ų | 137 | 56.4 Ų | 56.4 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.6 | 178 | -65.1 | -58.4 | -171.4 | 176.6 | 1.2 | 108.9 | M216 P235 I238 L239 F360 | M216-R362 HydrophobicContact CE-CB 3.29Å; M216-R362 HydrophobicContact CE-CG 3.13Å; P235-R362 HydrophobicContact CB-CG 4.11Å; I238-R362 CarbonylContact C-O 3.39Å; I238-R362 WeakPolarHBondContact CA-O 3.16Å; I238-R362 HydrophobicContact CG1-CB 4.26Å; L239-R362 PolarHBondContact N-O 3.05Å; F360-R362 PolarHBondContact O-N 2.82Å |
| 363 | E | 91.2 | Very high | 87.6 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.1 | -179.6 | -54.8 | -174.1 | -176.9 | 0 | 0 | 109.2 | L239 Y241 R355 | L239-E363 HydrophobicContact CB-CG 4.3Å; L239-E363 HydrophobicContact CD2-CG 4.39Å; L239-E363 CarbonylContact O-C 3.53Å; L239-E363 VanDerWaalsContact O-CA 3.29Å; L239-E363 WeakPolarHBondContact O-CA 3.16Å; Y241-E363 HydrophobicContact CD1-CB 4.15Å; Y241-E363 HydrophobicContact CE1-CB 3.8Å; R355-E363 IonicContact CZ-OE1 2.72Å; R355-E363 IonicContact CZ-OE2 2.78Å; R355-E363 IonicContact NE-OE1 3.14Å; R355-E363 PolarHBondContact NE-OE1 2.61Å; R355-E363 IonicContact NE-OE2 2.85Å; R355-E363 VanDerWaalsContact NH2-CD 3.29Å; R355-E363 IonicContact NH2-OE1 2.89Å; R355-E363 PolarHBondContact NH2-OE1 2.94Å; R355-E363 IonicContact NH2-OE2 3.39Å; R355-E363 PolarHBondContact NH2-OE2 3.5Å |
| 364 | I | 90.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.3 | 179.6 | -58.6 | 179.5 | 0 | 0 | 0 | 108.3 | Q209 Q212 I213 M216 I238 L239 L240 Y241 I366 | Q209-I364 HydrophobicContact CB-CG2 3.87Å; Q209-I364 HydrophobicContact CG-CG2 3.79Å; Q212-I364 HydrophobicContact CB-CD1 3.99Å; I213-I364 HydrophobicContact CD1-CD1 4.34Å; I213-I364 HydrophobicContact CG1-CD1 3.5Å; I213-I364 VanDerWaalsContact CG1-CD1 3.5Å; M216-I364 HydrophobicContact SD-CD1 4.34Å; I238-I364 HydrophobicContact CG2-CD1 3.85Å; I238-I364 HydrophobicContact CG2-CG1 4.08Å; L239-I364 PolarHBondContact O-N 2.82Å; L240-I364 WeakPolarHBondContact CA-O 3.31Å; L240-I364 HydrophobicContact CD2-CB 3.94Å; L240-I364 HydrophobicContact CD2-CG2 4.44Å; Y241-I364 PolarHBondContact N-O 3.3Å; I364-I366 HydrophobicContact CG2-CD1 4.02Å |
| 365 | E | 86.8 | Confident | 87.7 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.6 | 177.6 | -169.5 | 172.2 | -175.7 | 0 | 0 | 110.7 | Q209 Y241 | Q209-E365 VanDerWaalsContact CG-O 3.29Å; Q209-E365 WeakPolarHBondContact CG-O 3.4Å; Q209-E365 PolarHBondContact NE2-O 3.33Å; Y241-E365 HydrophobicContact CD2-CG 4.26Å; Y241-E365 HydrophobicContact CE1-CB 4.01Å; Y241-E365 HydrophobicContact CE2-CB 3.89Å; Y241-E365 HydrophobicContact CE2-CG 3.71Å; Y241-E365 CarbonylContact O-C 3.42Å; Y241-E365 WeakPolarHBondContact O-CA 3.41Å |
| 366 | I | 87.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -102.4 | 80.5 | 167.8 | -45.7 | -55 | 0 | 0 | 0 | 107.4 | Q209 L240 Y241 T246 K248 I364 | Q209-I366 HydrophobicContact CB-CD1 3.81Å; Q209-I366 HydrophobicContact CG-CD1 3.77Å; L240-I366 HydrophobicContact CB-CG1 4.32Å; Y241-I366 PolarHBondContact O-N 3.13Å; T246-I366 VanDerWaalsContact CB-O 3.29Å; T246-I366 WeakPolarHBondContact CB-O 3.29Å; T246-I366 WeakPolarHBondContact O-CG2 3.34Å; T246-I366 PolarHBondContact OG1-O 3.05Å; K248-I366 HydrophobicContact CG-CB 3.91Å; K248-I366 HydrophobicContact CG-CG1 3.92Å; K248-I366 HydrophobicContact CG-CG2 4.43Å; I364-I366 HydrophobicContact CG2-CD1 4.02Å | ||
| 367 | G | 81.9 | Confident | 88.2 | Confident | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | trans | -81.7 | -172.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T246 | T246-G367 WeakPolarHBondContact CG2-O 3.31Š| ||
| 368 | I | 81.2 | Confident | 88.7 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | trans | -68.1 | 132.6 | 173.7 | -53.9 | 178.9 | 0 | 0 | 0 | 108.6 | P243 V404 A460 L461 | P243-I368 HydrophobicContact CG-CD1 4.48Å; P243-I368 HydrophobicContact CG-CG1 3.97Å; I368-V404 HydrophobicContact CG1-CG1 4.19Å; I368-V404 HydrophobicContact CG2-CG1 4.43Å; I368-A460 HydrophobicContact CD1-CB 3.72Å; I368-A460 HydrophobicContact CG1-CB 4.13Å; I368-L461 HydrophobicContact CD1-CD2 4.28Å | ||
| 369 | P | 83.3 | Confident | 89.2 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | trans | -68.2 | 142 | 179.5 | 28.1 | -35.7 | 0 | 0 | 0 | 112.3 | R374 I377 H403 | P369-R374 HydrophobicContact CB-CG 3.91Å; P369-R374 HydrophobicContact CG-CG 3.65Å; P369-R374 PolarHBondContact O-NH1 3.42Å; P369-I377 HydrophobicContact CB-CD1 3.96Å; P369-I377 HydrophobicContact CG-CD1 3.83Å; P369-H403 WeakPolarHBondContact CG-O 3.03Å | ||
| 370 | D | 80 | Confident | 89.1 | Confident | 96 Ų | 96 | 43.5 Ų | 43.5 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | trans | -73.2 | 178.6 | 167 | 63.3 | 10 | 0 | 0 | 0 | 111.3 | I372 G373 R374 | D370-I372 VanDerWaalsContact C-N 3.26Å; D370-I372 PolarHBondContact O-N 3.27Å; D370-I372 PolarHBondContact OD1-N 2.83Å; D370-G373 PolarHBondContact O-N 3.4Å; D370-G373 VanDerWaalsContact O-N 3.15Å; D370-G373 PolarHBondContact OD1-N 2.97Å; D370-R374 VanDerWaalsContact O-CG 3.29Å; D370-R374 WeakPolarHBondContact O-CG 3.47Å; D370-R374 PolarHBondContact O-N 3.04Å | ||
| 371 | S | 83.3 | Confident | 89 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.2 | -38.9 | -177.8 | 52.7 | 0 | 0 | 0 | 0 | 113 | R374 L375 N398 | S371-R374 PolarHBondContact O-N 3.4Å; S371-L375 PolarHBondContact O-N 3.39Å; S371-N398 WeakPolarHBondContact CB-OD1 3.45Å |
| 372 | I | 87.9 | Confident | 89.5 | Confident | 110 Ų | 110 | 45.8 Ų | 45.8 | 56% | 0.564 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -66.1 | -47.4 | 176.8 | -60.3 | 173.7 | 0 | 0 | 0 | 110.2 | D370 R374 L375 E376 | D370-I372 VanDerWaalsContact C-N 3.26Å; D370-I372 PolarHBondContact O-N 3.27Å; D370-I372 PolarHBondContact OD1-N 2.83Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.46Å; I372-L375 WeakPolarHBondContact O-CB 3.38Å; I372-L375 PolarHBondContact O-N 2.87Å; I372-E376 WeakPolarHBondContact O-CG 3.44Å; I372-E376 PolarHBondContact O-N 3.27Å |
| 373 | G | 89 | Confident | 89.4 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D370 E376 I377 | D370-G373 PolarHBondContact O-N 3.4Å; D370-G373 VanDerWaalsContact O-N 3.15Å; D370-G373 PolarHBondContact OD1-N 2.97Å; G373-E376 PolarHBondContact O-N 3.14Å; G373-I377 WeakPolarHBondContact O-CD1 3.46Å; G373-I377 VanDerWaalsContact O-CG1 3.26Å; G373-I377 WeakPolarHBondContact O-CG1 3.4Å; G373-I377 PolarHBondContact O-N 3.24Å |
| 374 | R | 92.3 | Very high | 88.9 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.7 | -68.7 | -166.2 | -60.9 | -92.2 | 9.5 | 111.7 | P369 D370 S371 I372 E376 I377 L378 A397 N398 A400 L408 | P369-R374 HydrophobicContact CB-CG 3.91Å; P369-R374 HydrophobicContact CG-CG 3.65Å; P369-R374 PolarHBondContact O-NH1 3.42Å; D370-R374 VanDerWaalsContact O-CG 3.29Å; D370-R374 WeakPolarHBondContact O-CG 3.47Å; D370-R374 PolarHBondContact O-N 3.04Å; S371-R374 PolarHBondContact O-N 3.4Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.46Å; R374-E376 PolarHBondContact O-N 2.94Å; R374-I377 PolarHBondContact O-N 3.16Å; R374-L378 WeakPolarHBondContact O-CB 3.17Å; R374-L378 VanDerWaalsContact O-CG 3.32Å; R374-L378 WeakPolarHBondContact O-CG 3.5Å; R374-L378 PolarHBondContact O-N 2.74Å; R374-A397 HydrophobicContact CB-CB 4.15Å; R374-A397 PolarHBondContact NE-O 3.14Å; R374-A397 PolarHBondContact NH2-O 3.1Å; R374-N398 PolarHBondContact NH2-O 3.01Å; R374-A400 WeakPolarHBondContact CD-O 3.47Å; R374-A400 PolarHBondContact NE-O 3.45Å; R374-A400 VanDerWaalsContact NE-O 3.1Å; R374-L408 HydrophobicContact CB-CD1 3.77Å; R374-L408 HydrophobicContact CG-CD1 3.79Å |
| 375 | L | 95.5 | Very high | 88.8 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 174 | 177.8 | 62.7 | 0 | 0 | 0 | 112 | S371 I372 I377 L378 R379 L393 E394 A397 | S371-L375 PolarHBondContact O-N 3.39Å; I372-L375 WeakPolarHBondContact O-CB 3.38Å; I372-L375 PolarHBondContact O-N 2.87Å; L375-I377 VanDerWaalsContact C-N 3.33Å; L375-I377 PolarHBondContact O-N 3Å; L375-L378 PolarHBondContact O-N 3.26Å; L375-R379 HydrophobicContact CD1-CG 4.4Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 WeakPolarHBondContact O-CG 3.48Å; L375-R379 PolarHBondContact O-N 3.47Å; L375-L393 HydrophobicContact CD1-CB 3.76Å; L375-E394 HydrophobicContact CD1-CG 3.86Å; L375-E394 HydrophobicContact CD2-CG 3.7Å; L375-E394 HydrophobicContact CG-CG 4.42Å; L375-A397 HydrophobicContact CB-CB 3.89Å |
| 376 | E | 94.9 | Very high | 89 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 175.1 | -69.9 | 177.9 | 174.5 | 0 | 0 | 111.3 | G205 I372 G373 R374 R379 I380 | G205-E376 PolarHBondContact N-OE2 3.45Å; I372-E376 WeakPolarHBondContact O-CG 3.44Å; I372-E376 PolarHBondContact O-N 3.27Å; G373-E376 PolarHBondContact O-N 3.14Å; R374-E376 PolarHBondContact O-N 2.94Å; E376-R379 PolarHBondContact O-N 3.41Å; E376-I380 WeakPolarHBondContact O-CD1 3.5Å; E376-I380 VanDerWaalsContact O-CG1 3.32Å; E376-I380 WeakPolarHBondContact O-CG1 3.46Å; E376-I380 PolarHBondContact O-N 2.85Å |
| 377 | I | 96.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 177.8 | -66.6 | 164.1 | 0 | 0 | 0 | 111.4 | P369 G373 R374 L375 R379 I380 H381 L408 | P369-I377 HydrophobicContact CB-CD1 3.96Å; P369-I377 HydrophobicContact CG-CD1 3.83Å; G373-I377 WeakPolarHBondContact O-CD1 3.46Å; G373-I377 VanDerWaalsContact O-CG1 3.26Å; G373-I377 WeakPolarHBondContact O-CG1 3.4Å; G373-I377 PolarHBondContact O-N 3.24Å; R374-I377 PolarHBondContact O-N 3.16Å; L375-I377 VanDerWaalsContact C-N 3.33Å; L375-I377 PolarHBondContact O-N 3Å; I377-R379 VanDerWaalsContact C-N 3.33Å; I377-R379 PolarHBondContact O-N 3.35Å; I377-I380 WeakPolarHBondContact O-CB 3.36Å; I377-I380 PolarHBondContact O-N 3.04Å; I377-I380 VanDerWaalsContact O-N 3.14Å; I377-H381 PolarHBondContact O-CD2 3.39Å; I377-H381 VanDerWaalsContact O-CD2 3.32Å; I377-H381 PolarHBondContact O-N 3.18Å; I377-L408 HydrophobicContact CB-CD1 3.8Å; I377-L408 HydrophobicContact CD1-CD1 4.11Å; I377-L408 HydrophobicContact CG2-CB 3.74Å; I377-L408 HydrophobicContact CG2-CD1 3.64Å; I377-L408 HydrophobicContact CG2-CG 4.35Å |
| 378 | L | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.5 | -74.5 | 170.4 | 0 | 0 | 0 | 111.2 | R374 L375 I380 H381 T382 I396 A397 L408 L411 | R374-L378 WeakPolarHBondContact O-CB 3.17Å; R374-L378 VanDerWaalsContact O-CG 3.32Å; R374-L378 WeakPolarHBondContact O-CG 3.5Å; R374-L378 PolarHBondContact O-N 2.74Å; L375-L378 PolarHBondContact O-N 3.26Å; L378-I380 VanDerWaalsContact C-N 3.3Å; L378-I380 PolarHBondContact O-N 3.02Å; L378-H381 PolarHBondContact O-N 3.26Å; L378-T382 WeakPolarHBondContact O-CB 3.46Å; L378-T382 VanDerWaalsContact O-CG2 3.29Å; L378-T382 WeakPolarHBondContact O-CG2 3.43Å; L378-T382 PolarHBondContact O-N 3.28Å; L378-T382 PolarHBondContact O-OG1 3.03Å; L378-I396 HydrophobicContact CD1-CB 4.09Å; L378-I396 HydrophobicContact CD1-CG2 3.84Å; L378-I396 HydrophobicContact CD2-CG2 4.32Å; L378-A397 HydrophobicContact CD1-CB 3.92Å; L378-L408 HydrophobicContact CD2-CB 4.42Å; L378-L408 HydrophobicContact CD2-CD2 4.12Å; L378-L408 HydrophobicContact CG-CD2 4.35Å; L378-L411 HydrophobicContact CD2-CD2 3.94Å |
| 379 | R | 95.3 | Very high | 90.5 | Very high | 134 Ų | 134 | 65.8 Ų | 65.8 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 175.9 | -74.4 | 174.7 | 176.1 | 174.4 | 1.8 | 112.4 | L375 E376 I377 R383 L393 E394 | L375-R379 HydrophobicContact CD1-CG 4.4Å; L375-R379 WeakPolarHBondContact O-CB 3.34Å; L375-R379 WeakPolarHBondContact O-CG 3.48Å; L375-R379 PolarHBondContact O-N 3.47Å; E376-R379 PolarHBondContact O-N 3.41Å; I377-R379 VanDerWaalsContact C-N 3.33Å; I377-R379 PolarHBondContact O-N 3.35Å; R379-R383 PolarHBondContact O-N 3.44Å; R379-L393 HydrophobicContact CG-CD1 4Å; R379-E394 IonicContact NH2-OE1 2.69Å |
| 380 | I | 90 | Very high | 91.2 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 176.1 | -68.5 | 159.3 | 0 | 0 | 0 | 110.6 | G204 E376 I377 L378 T382 R383 | G204-I380 VanDerWaalsContact N-CD1 3.33Å; E376-I380 WeakPolarHBondContact O-CD1 3.5Å; E376-I380 VanDerWaalsContact O-CG1 3.32Å; E376-I380 WeakPolarHBondContact O-CG1 3.46Å; E376-I380 PolarHBondContact O-N 2.85Å; I377-I380 WeakPolarHBondContact O-CB 3.36Å; I377-I380 PolarHBondContact O-N 3.04Å; I377-I380 VanDerWaalsContact O-N 3.14Å; L378-I380 VanDerWaalsContact C-N 3.3Å; L378-I380 PolarHBondContact O-N 3.02Å; I380-T382 VanDerWaalsContact C-N 3.33Å; I380-T382 PolarHBondContact O-N 3.02Å; I380-R383 VanDerWaalsContact O-CD 3.22Å; I380-R383 WeakPolarHBondContact O-CD 3.39Å; I380-R383 WeakPolarHBondContact O-CG 3.41Å; I380-R383 PolarHBondContact O-N 3.29Å |
| 381 | H | 93.2 | Very high | 92 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.375 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73 | -24.7 | -177.2 | -73.7 | -64.8 | 0 | 0 | 0 | 113.6 | I377 L378 I385 A409 C412 | I377-H381 PolarHBondContact O-CD2 3.39Å; I377-H381 VanDerWaalsContact O-CD2 3.32Å; I377-H381 PolarHBondContact O-N 3.18Å; L378-H381 PolarHBondContact O-N 3.26Å; H381-I385 WeakPolarHBondContact O-CD1 3.08Å; H381-A409 VanDerWaalsContact CE1-CB 3.49Å; H381-A409 WeakPolarHBondContact CE1-CB 3.29Å; H381-C412 HydrophobicContact CB-CB 4.08Å |
| 382 | T | 93.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -90.7 | -5.8 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | L378 I380 N384 I385 L387 L393 F449 | L378-T382 WeakPolarHBondContact O-CB 3.46Å; L378-T382 VanDerWaalsContact O-CG2 3.29Å; L378-T382 WeakPolarHBondContact O-CG2 3.43Å; L378-T382 PolarHBondContact O-N 3.28Å; L378-T382 PolarHBondContact O-OG1 3.03Å; I380-T382 VanDerWaalsContact C-N 3.33Å; I380-T382 PolarHBondContact O-N 3.02Å; T382-N384 PolarHBondContact O-N 2.68Å; T382-I385 HydrophobicContact CG2-CD1 4.49Å; T382-I385 PolarHBondContact O-N 3.49Å; T382-I385 VanDerWaalsContact O-O 3.1Å; T382-L387 HydrophobicContact CG2-CD1 4.45Å; T382-L387 HydrophobicContact CG2-CD2 4.2Å; T382-L393 HydrophobicContact CG2-CD2 4.21Å; T382-F449 HydrophobicContact CG2-CZ 3.91Å |
| 383 | R | 86.2 | Confident | 93.1 | Very high | 129 Ų | 129 | 62.8 Ų | 62.8 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.6 | -175.9 | 76.5 | -169.6 | 177 | -176.5 | -4.9 | 115.4 | D202 R379 I380 | D202-R383 IonicContact OD1-CZ 3.29Å; D202-R383 IonicContact OD1-NH1 3.73Å; D202-R383 PolarHBondContact OD1-NH1 3.47Å; D202-R383 IonicContact OD1-NH2 2.69Å; D202-R383 PolarHBondContact OD1-NH2 2.86Å; R379-R383 PolarHBondContact O-N 3.44Å; I380-R383 VanDerWaalsContact O-CD 3.22Å; I380-R383 WeakPolarHBondContact O-CD 3.39Å; I380-R383 WeakPolarHBondContact O-CG 3.41Å; I380-R383 PolarHBondContact O-N 3.29Å |
| 384 | N | 80.7 | Confident | 93.4 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 10.4 | 179.3 | -65.6 | -23.6 | 0 | 0 | 0 | 111.7 | T382 | T382-N384 PolarHBondContact O-N 2.68Š|
| 385 | I | 88.4 | Confident | 93.4 | Very high | 41 Ų | 41 | 71.5 Ų | 71.5 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -105.5 | 130.8 | 176.5 | -57.8 | -179.9 | 0 | 0 | 0 | 107.3 | H381 T382 L387 C412 V444 | H381-I385 WeakPolarHBondContact O-CD1 3.08Å; T382-I385 HydrophobicContact CG2-CD1 4.49Å; T382-I385 PolarHBondContact O-N 3.49Å; T382-I385 VanDerWaalsContact O-O 3.1Å; I385-L387 HydrophobicContact CB-CD2 4.45Å; I385-L387 HydrophobicContact CG2-CD2 4.02Å; I385-L387 PolarHBondContact O-N 2.96Å; I385-C412 HydrophobicContact CD1-CB 4.18Å; I385-V444 HydrophobicContact CG2-CB 4.14Å; I385-V444 HydrophobicContact CG2-CG2 3.43Å; I385-V444 VanDerWaalsContact CG2-CG2 3.43Å |
| 386 | R | 90.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 70.6 Ų | 70.6 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | trans | -74 | 112.9 | 172.2 | -176 | 168.1 | 175.1 | -165.1 | -5.9 | 108.9 | N440 L442 A443 V444 | R386-N440 PolarHBondContact NH1-O 3.05Å; R386-N440 PolarHBondContact NH2-O 3.38Å; R386-L442 WeakPolarHBondContact CD-O 3.46Å; R386-A443 HydrophobicContact CG-CB 4.03Å; R386-A443 CarbonylContact O-C 3.57Å; R386-A443 WeakPolarHBondContact O-CA 3.37Å; R386-V444 PolarHBondContact O-N 3.1Å | ||
| 387 | L | 95 | Very high | 93.1 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -93.3 | 143.9 | 176.9 | -57 | -178.2 | 0 | 0 | 0 | 110.1 | T382 I385 V391 L393 V444 F449 | T382-L387 HydrophobicContact CG2-CD1 4.45Å; T382-L387 HydrophobicContact CG2-CD2 4.2Å; I385-L387 HydrophobicContact CB-CD2 4.45Å; I385-L387 HydrophobicContact CG2-CD2 4.02Å; I385-L387 PolarHBondContact O-N 2.96Å; L387-V391 HydrophobicContact CB-CB 4.31Å; L387-V391 HydrophobicContact CB-CG2 4.25Å; L387-V391 HydrophobicContact CD1-CG1 4.14Å; L387-V391 HydrophobicContact CD2-CG1 4.41Å; L387-L393 HydrophobicContact CD1-CD1 4.31Å; L387-L393 HydrophobicContact CD1-CD2 4.43Å; L387-V444 HydrophobicContact CD2-CB 4.27Å; L387-F449 HydrophobicContact CD2-CE2 3.94Å; L387-F449 HydrophobicContact CD2-CZ 4.2Å |
| 388 | A | 94.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | trans | -76.8 | 162.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D390 V391 A443 V444 T445 | A388-D390 WeakPolarHBondContact CB-OD1 3.33Å; A388-D390 PolarHBondContact O-N 2.86Å; A388-V391 PolarHBondContact O-N 3.36Å; A388-A443 HydrophobicContact CB-CB 4.08Å; A388-V444 PolarHBondContact N-O 2.96Å; A388-T445 HydrophobicContact CB-CG2 4.05Å | ||
| 389 | E | 93.3 | Very high | 91.9 | Very high | 208 Ų | 208 | 75 Ų | 75 | 97% | 0.972 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.2 | -173.6 | -63.4 | -173.3 | 169.3 | 0 | 0 | 113.7 | V391 | E389-V391 VanDerWaalsContact C-N 3.32Š|
| 390 | D | 96.7 | Very high | 91.4 | Very high | 71 Ų | 71 | 68.6 Ų | 68.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -9.9 | 179 | 66.8 | -48.9 | 0 | 0 | 0 | 113.7 | A388 E392 M446 | A388-D390 WeakPolarHBondContact CB-OD1 3.33Å; A388-D390 PolarHBondContact O-N 2.86Å; D390-E392 PolarHBondContact O-N 3.39Å; D390-M446 WeakPolarHBondContact OD2-CB 3.38Å; D390-M446 PolarHBondContact OD2-N 3.14Å |
| 391 | V | 97.6 | Very high | 90.6 | Very high | 22 Ų | 22 | 69 Ų | 69 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | trans | -73.4 | 115.1 | -175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | L387 A388 E389 L393 I396 V444 F449 | L387-V391 HydrophobicContact CB-CB 4.31Å; L387-V391 HydrophobicContact CB-CG2 4.25Å; L387-V391 HydrophobicContact CD1-CG1 4.14Å; L387-V391 HydrophobicContact CD2-CG1 4.41Å; A388-V391 PolarHBondContact O-N 3.36Å; E389-V391 VanDerWaalsContact C-N 3.32Å; V391-L393 HydrophobicContact CG1-CD2 3.76Å; V391-L393 HydrophobicContact CG1-CG 4.24Å; V391-I396 HydrophobicContact CG1-CD1 4.47Å; V391-V444 WeakPolarHBondContact CG2-O 3.47Å; V391-F449 HydrophobicContact CG1-CD2 4.01Å; V391-F449 HydrophobicContact CG1-CE2 3.79Å; V391-F449 HydrophobicContact CG2-CD2 4.39Å; V391-F449 HydrophobicContact CG2-CE2 4.35Å | ||
| 392 | E | 96.8 | Very high | 89.7 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | trans | -109.7 | 87.6 | 176.5 | -68.3 | 177.6 | -98.1 | 0 | 0 | 111.1 | D390 E394 K395 I396 | D390-E392 PolarHBondContact O-N 3.39Å; E392-E394 PolarHBondContact O-N 2.9Å; E392-E394 VanDerWaalsContact O-N 3.1Å; E392-K395 HydrophobicContact CB-CB 4.29Å; E392-K395 HydrophobicContact CB-CD 3.98Å; E392-K395 HydrophobicContact CB-CG 4.1Å; E392-K395 PolarHBondContact O-N 3.49Å; E392-K395 IonicContact OE1-NZ 3.39Å; E392-K395 PolarHBondContact OE1-NZ 3.28Å; E392-K395 WeakPolarHBondContact OE2-CD 3.37Å; E392-K395 WeakPolarHBondContact OE2-CE 3.06Å; E392-K395 IonicContact OE2-NZ 3.29Å; E392-K395 PolarHBondContact OE2-NZ 3.26Å; E392-I396 PolarHBondContact O-N 3.33Å | ||
| 393 | L | 97.2 | Very high | 89.3 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -26.6 | -179 | -62.1 | -177.7 | 0 | 0 | 0 | 113.8 | L375 R379 T382 L387 V391 I396 A397 F449 | L375-L393 HydrophobicContact CD1-CB 3.76Å; R379-L393 HydrophobicContact CG-CD1 4Å; T382-L393 HydrophobicContact CG2-CD2 4.21Å; L387-L393 HydrophobicContact CD1-CD1 4.31Å; L387-L393 HydrophobicContact CD1-CD2 4.43Å; V391-L393 HydrophobicContact CG1-CD2 3.76Å; V391-L393 HydrophobicContact CG1-CG 4.24Å; L393-I396 HydrophobicContact CD2-CD1 4.07Å; L393-I396 PolarHBondContact O-N 3.45Å; L393-A397 VanDerWaalsContact O-CB 3.31Å; L393-A397 WeakPolarHBondContact O-CB 3.38Å; L393-A397 PolarHBondContact O-N 3.27Å; L393-F449 HydrophobicContact CD2-CZ 4.33Å |
| 394 | E | 94.8 | Very high | 89.5 | Confident | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 176.8 | -73.9 | 163.2 | -171 | 0 | 0 | 112 | L375 R379 E392 A397 N398 | L375-E394 HydrophobicContact CD1-CG 3.86Å; L375-E394 HydrophobicContact CD2-CG 3.7Å; L375-E394 HydrophobicContact CG-CG 4.42Å; R379-E394 IonicContact NH2-OE1 2.69Å; E392-E394 PolarHBondContact O-N 2.9Å; E392-E394 VanDerWaalsContact O-N 3.1Å; E394-A397 PolarHBondContact O-N 3.36Å; E394-N398 VanDerWaalsContact O-CG 3.31Å; E394-N398 PolarHBondContact O-N 3.25Å; E394-N398 PolarHBondContact O-ND2 3.44Å |
| 395 | K | 92.4 | Very high | 90 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 174.3 | -70.2 | -178.9 | 175.3 | 162.8 | 0 | 110.7 | E392 A397 N398 E399 M446 | E392-K395 HydrophobicContact CB-CB 4.29Å; E392-K395 HydrophobicContact CB-CD 3.98Å; E392-K395 HydrophobicContact CB-CG 4.1Å; E392-K395 PolarHBondContact O-N 3.49Å; E392-K395 IonicContact OE1-NZ 3.39Å; E392-K395 PolarHBondContact OE1-NZ 3.28Å; E392-K395 WeakPolarHBondContact OE2-CD 3.37Å; E392-K395 WeakPolarHBondContact OE2-CE 3.06Å; E392-K395 IonicContact OE2-NZ 3.29Å; E392-K395 PolarHBondContact OE2-NZ 3.26Å; K395-A397 VanDerWaalsContact C-N 3.33Å; K395-A397 PolarHBondContact O-N 2.81Å; K395-N398 PolarHBondContact O-N 3.31Å; K395-N398 VanDerWaalsContact O-N 3.16Å; K395-E399 WeakPolarHBondContact O-CG 3.36Å; K395-E399 PolarHBondContact O-N 2.71Å; K395-M446 HydrophobicContact CB-CE 4.06Å |
| 396 | I | 94.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.8 | -59.3 | 163.6 | 0 | 0 | 0 | 110.6 | L378 V391 E392 L393 N398 E399 A400 L411 M446 F449 | L378-I396 HydrophobicContact CD1-CB 4.09Å; L378-I396 HydrophobicContact CD1-CG2 3.84Å; L378-I396 HydrophobicContact CD2-CG2 4.32Å; V391-I396 HydrophobicContact CG1-CD1 4.47Å; E392-I396 PolarHBondContact O-N 3.33Å; L393-I396 HydrophobicContact CD2-CD1 4.07Å; L393-I396 PolarHBondContact O-N 3.45Å; I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.06Å; I396-E399 PolarHBondContact O-N 2.86Å; I396-A400 WeakPolarHBondContact O-CB 3.32Å; I396-A400 PolarHBondContact O-N 3.44Å; I396-L411 HydrophobicContact CG2-CD2 3.7Å; I396-M446 HydrophobicContact CD1-CE 4.4Å; I396-M446 HydrophobicContact CD1-SD 3.94Å; I396-M446 HydrophobicContact CG1-CE 3.85Å; I396-M446 HydrophobicContact CG1-SD 4.06Å; I396-F449 HydrophobicContact CD1-CB 3.49Å; I396-F449 VanDerWaalsContact CD1-CB 3.49Å; I396-F449 HydrophobicContact CD1-CD1 3.69Å; I396-F449 HydrophobicContact CD1-CD2 3.74Å; I396-F449 HydrophobicContact CD1-CE1 4.31Å; I396-F449 HydrophobicContact CD1-CE2 4.37Å; I396-F449 HydrophobicContact CD1-CG 3.36Å; I396-F449 HydrophobicContact CG1-CB 4.15Å; I396-F449 HydrophobicContact CG1-CG 4.45Å |
| 397 | A | 90.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R374 L375 L378 L393 E394 K395 | R374-A397 HydrophobicContact CB-CB 4.15Å; R374-A397 PolarHBondContact NE-O 3.14Å; R374-A397 PolarHBondContact NH2-O 3.1Å; L375-A397 HydrophobicContact CB-CB 3.89Å; L378-A397 HydrophobicContact CD1-CB 3.92Å; L393-A397 VanDerWaalsContact O-CB 3.31Å; L393-A397 WeakPolarHBondContact O-CB 3.38Å; L393-A397 PolarHBondContact O-N 3.27Å; E394-A397 PolarHBondContact O-N 3.36Å; K395-A397 VanDerWaalsContact C-N 3.33Å; K395-A397 PolarHBondContact O-N 2.81Å |
| 398 | N | 83.3 | Confident | 90.4 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -51.3 | 175.7 | -70.5 | -27.9 | 0 | 0 | 0 | 110.4 | S371 R374 E394 K395 I396 A400 H401 | S371-N398 WeakPolarHBondContact CB-OD1 3.45Å; R374-N398 PolarHBondContact NH2-O 3.01Å; E394-N398 VanDerWaalsContact O-CG 3.31Å; E394-N398 PolarHBondContact O-N 3.25Å; E394-N398 PolarHBondContact O-ND2 3.44Å; K395-N398 PolarHBondContact O-N 3.31Å; K395-N398 VanDerWaalsContact O-N 3.16Å; I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.06Å; N398-A400 VanDerWaalsContact C-N 3.35Å; N398-A400 PolarHBondContact O-N 3.28Å; N398-H401 PolarHBondContact O-CD2 2.88Å; N398-H401 PolarHBondContact O-CE1 3.49Å; N398-H401 PolarHBondContact O-ND1 3.23Å; N398-H401 PolarHBondContact O-NE2 3.42Å |
| 399 | E | 84.3 | Confident | 90.4 | Very high | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.2 | -27.4 | -177 | -64.8 | 171.6 | -158.9 | 0 | 0 | 114.1 | K395 I396 H401 L453 | K395-E399 WeakPolarHBondContact O-CG 3.36Å; K395-E399 PolarHBondContact O-N 2.71Å; I396-E399 PolarHBondContact O-N 2.86Å; E399-H401 PolarHBondContact O-CD2 3.38Å; E399-H401 VanDerWaalsContact O-CD2 3.32Å; E399-H401 PolarHBondContact O-N 3.38Å; E399-L453 HydrophobicContact CB-CD2 3.69Å |
| 400 | A | 85 | Confident | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -77.1 | 46.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R374 I396 N398 H403 L408 L453 | R374-A400 WeakPolarHBondContact CD-O 3.47Å; R374-A400 PolarHBondContact NE-O 3.45Å; R374-A400 VanDerWaalsContact NE-O 3.1Å; I396-A400 WeakPolarHBondContact O-CB 3.32Å; I396-A400 PolarHBondContact O-N 3.44Å; N398-A400 VanDerWaalsContact C-N 3.35Å; N398-A400 PolarHBondContact O-N 3.28Å; A400-H403 WeakPolarHBondContact CA-ND1 3.3Å; A400-H403 HydrophobicContact CB-CB 4.2Å; A400-H403 WeakPolarHBondContact O-CB 3.3Å; A400-H403 PolarHBondContact O-N 3.37Å; A400-H403 PolarHBondContact O-ND1 2.9Å; A400-H403 VanDerWaalsContact O-ND1 3.1Å; A400-L408 HydrophobicContact CB-CD2 3.84Å; A400-L453 HydrophobicContact CB-CD1 4.14Å | ||
| 401 | H | 74.6 | Confident | 90.4 | Very high | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 140.2 | 178.6 | -60.7 | -84 | 0 | 0 | 0 | 111.8 | N398 E399 H403 P458 V468 Q533 | N398-H401 PolarHBondContact O-CD2 2.88Å; N398-H401 PolarHBondContact O-CE1 3.49Å; N398-H401 PolarHBondContact O-ND1 3.23Å; N398-H401 PolarHBondContact O-NE2 3.42Å; E399-H401 PolarHBondContact O-CD2 3.38Å; E399-H401 VanDerWaalsContact O-CD2 3.32Å; E399-H401 PolarHBondContact O-N 3.38Å; H401-H403 PolarHBondContact O-N 3.16Å; H401-H403 PolarHBondContact O-ND1 2.93Å; H401-P458 WeakPolarHBondContact O-CG 3.43Å; H401-V468 HydrophobicContact CB-CB 4.39Å; H401-V468 HydrophobicContact CB-CG1 3.85Å; H401-V468 HydrophobicContact CB-CG2 3.59Å; H401-Q533 PolarHBondContact CE1-OE1 2.89Å |
| 402 | G | 74.3 | Confident | 90.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -7.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | V404 | G402-V404 PolarHBondContact O-N 2.94Š|
| 403 | H | 85.5 | Confident | 90.2 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | trans | -68.8 | 129.1 | -180 | -70.8 | 68.2 | 0 | 0 | 0 | 110.5 | P369 A400 H401 D407 L408 S456 | P369-H403 WeakPolarHBondContact CG-O 3.03Å; A400-H403 WeakPolarHBondContact CA-ND1 3.3Å; A400-H403 HydrophobicContact CB-CB 4.2Å; A400-H403 WeakPolarHBondContact O-CB 3.3Å; A400-H403 PolarHBondContact O-N 3.37Å; A400-H403 PolarHBondContact O-ND1 2.9Å; A400-H403 VanDerWaalsContact O-ND1 3.1Å; H401-H403 PolarHBondContact O-N 3.16Å; H401-H403 PolarHBondContact O-ND1 2.93Å; H403-D407 HydrophobicContact CB-CB 3.95Å; H403-L408 HydrophobicContact CB-CD2 3.82Å; H403-L408 HydrophobicContact CB-CG 4.03Å; H403-S456 PolarHBondContact NE2-OG 3.19Å | ||
| 404 | V | 89 | Confident | 90.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -88.2 | 175.1 | 172.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | T246 I368 G402 A406 D407 L408 S459 A460 | T246-V404 HydrophobicContact CG2-CB 4.06Å; T246-V404 HydrophobicContact CG2-CG1 3.66Å; I368-V404 HydrophobicContact CG1-CG1 4.19Å; I368-V404 HydrophobicContact CG2-CG1 4.43Å; G402-V404 PolarHBondContact O-N 2.94Å; V404-A406 VanDerWaalsContact C-N 3.28Å; V404-A406 HydrophobicContact CG2-CB 4.33Å; V404-A406 PolarHBondContact O-N 3.29Å; V404-D407 HydrophobicContact CG2-CB 4.44Å; V404-D407 WeakPolarHBondContact CG2-OD2 3.49Å; V404-D407 PolarHBondContact N-OD2 3.2Å; V404-D407 WeakPolarHBondContact O-CB 3.16Å; V404-D407 PolarHBondContact O-N 3.13Å; V404-L408 PolarHBondContact O-N 2.89Å; V404-S459 WeakPolarHBondContact CG2-OG 3.29Å; V404-A460 HydrophobicContact CG1-CB 3.68Å | ||
| 405 | G | 92.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 29.6 Ų | 29.6 | 16% | 0.155 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.2 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G245 D407 L408 A409 | G245-G405 PolarHBondContact O-N 2.95Å; G405-D407 VanDerWaalsContact C-N 3.35Å; G405-D407 PolarHBondContact O-N 3.24Å; G405-L408 PolarHBondContact O-N 3.08Å; G405-A409 WeakPolarHBondContact O-CB 3.21Å; G405-A409 PolarHBondContact O-N 3.43Å |
| 406 | A | 93 | Very high | 90.2 | Very high | 51 Ų | 51 | 26.7 Ų | 26.7 | 42% | 0.421 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G245 V404 A409 S410 | G245-A406 PolarHBondContact O-N 2.65Å; V404-A406 VanDerWaalsContact C-N 3.28Å; V404-A406 HydrophobicContact CG2-CB 4.33Å; V404-A406 PolarHBondContact O-N 3.29Å; A406-A409 PolarHBondContact O-N 3.48Å; A406-S410 PolarHBondContact O-N 2.85Å |
| 407 | D | 92.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 178.8 | -56.4 | -25.1 | 0 | 0 | 0 | 110.6 | H403 V404 G405 S410 L411 S459 | H403-D407 HydrophobicContact CB-CB 3.95Å; V404-D407 HydrophobicContact CG2-CB 4.44Å; V404-D407 WeakPolarHBondContact CG2-OD2 3.49Å; V404-D407 PolarHBondContact N-OD2 3.2Å; V404-D407 WeakPolarHBondContact O-CB 3.16Å; V404-D407 PolarHBondContact O-N 3.13Å; G405-D407 VanDerWaalsContact C-N 3.35Å; G405-D407 PolarHBondContact O-N 3.24Å; D407-S410 WeakPolarHBondContact O-CB 3.27Å; D407-S410 PolarHBondContact O-N 3Å; D407-L411 WeakPolarHBondContact O-CB 3.43Å; D407-L411 PolarHBondContact O-N 3.01Å; D407-S459 VanDerWaalsContact CG-OG 3.23Å; D407-S459 WeakPolarHBondContact OD1-CB 3.39Å; D407-S459 PolarHBondContact OD1-N 3.4Å; D407-S459 PolarHBondContact OD1-OG 3.15Å; D407-S459 PolarHBondContact OD2-N 2.96Å; D407-S459 PolarHBondContact OD2-OG 3.22Å; D407-S459 VanDerWaalsContact OD2-OG 3.14Å |
| 408 | L | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 177.6 | -66.1 | 176.9 | 0 | 0 | 0 | 112.4 | R374 I377 L378 A400 H403 V404 G405 L411 C412 | R374-L408 HydrophobicContact CB-CD1 3.77Å; R374-L408 HydrophobicContact CG-CD1 3.79Å; I377-L408 HydrophobicContact CB-CD1 3.8Å; I377-L408 HydrophobicContact CD1-CD1 4.11Å; I377-L408 HydrophobicContact CG2-CB 3.74Å; I377-L408 HydrophobicContact CG2-CD1 3.64Å; I377-L408 HydrophobicContact CG2-CG 4.35Å; L378-L408 HydrophobicContact CD2-CB 4.42Å; L378-L408 HydrophobicContact CD2-CD2 4.12Å; L378-L408 HydrophobicContact CG-CD2 4.35Å; A400-L408 HydrophobicContact CB-CD2 3.84Å; H403-L408 HydrophobicContact CB-CD2 3.82Å; H403-L408 HydrophobicContact CB-CG 4.03Å; V404-L408 PolarHBondContact O-N 2.89Å; G405-L408 PolarHBondContact O-N 3.08Å; L408-L411 PolarHBondContact O-N 3.41Å; L408-C412 PolarHBondContact O-N 3.35Å; L408-C412 PolarHBondContact O-SG 3.22Å |
| 409 | A | 94.7 | Very high | 90.8 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H381 G405 A406 L411 C412 S413 | H381-A409 VanDerWaalsContact CE1-CB 3.49Å; H381-A409 WeakPolarHBondContact CE1-CB 3.29Å; G405-A409 WeakPolarHBondContact O-CB 3.21Å; G405-A409 PolarHBondContact O-N 3.43Å; A406-A409 PolarHBondContact O-N 3.48Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.42Å; A409-C412 PolarHBondContact O-N 2.89Å; A409-S413 PolarHBondContact O-N 2.9Å; A409-S413 PolarHBondContact O-OG 2.69Å |
| 410 | S | 94.5 | Very high | 91 | Very high | 68 Ų | 68 | 27.4 Ų | 27.4 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | A406 D407 S413 E414 | A406-S410 PolarHBondContact O-N 2.85Å; D407-S410 WeakPolarHBondContact O-CB 3.27Å; D407-S410 PolarHBondContact O-N 3Å; S410-S413 PolarHBondContact O-N 2.8Å; S410-E414 WeakPolarHBondContact O-CB 3.39Å; S410-E414 PolarHBondContact O-N 2.75Å |
| 411 | L | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.4 | -179.2 | 115.3 | 0 | 0 | 0 | 111.4 | L378 I396 D407 L408 A409 E414 A415 F449 A452 L453 S456 | L378-L411 HydrophobicContact CD2-CD2 3.94Å; I396-L411 HydrophobicContact CG2-CD2 3.7Å; D407-L411 WeakPolarHBondContact O-CB 3.43Å; D407-L411 PolarHBondContact O-N 3.01Å; L408-L411 PolarHBondContact O-N 3.41Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.42Å; L411-E414 PolarHBondContact O-N 2.8Å; L411-A415 WeakPolarHBondContact O-CB 3.13Å; L411-A415 PolarHBondContact O-N 3.08Å; L411-F449 HydrophobicContact CD2-CD1 3.91Å; L411-F449 HydrophobicContact CD2-CE1 4.26Å; L411-A452 HydrophobicContact CG-CB 4.41Å; L411-L453 HydrophobicContact CD1-CB 3.93Å; L411-L453 HydrophobicContact CD1-CD1 3.56Å; L411-L453 HydrophobicContact CD1-CG 4.36Å; L411-S456 WeakPolarHBondContact CD1-OG 3.25Å |
| 412 | C | 95.9 | Very high | 92 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 177 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | H381 I385 L408 A409 A415 A416 | H381-C412 HydrophobicContact CB-CB 4.08Å; I385-C412 HydrophobicContact CD1-CB 4.18Å; L408-C412 PolarHBondContact O-N 3.35Å; L408-C412 PolarHBondContact O-SG 3.22Å; A409-C412 PolarHBondContact O-N 2.89Å; C412-A415 PolarHBondContact O-N 3.37Å; C412-A416 PolarHBondContact O-N 3.49Å |
| 413 | S | 93.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 49% | 0.49 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | A409 S410 A416 L417 | A409-S413 PolarHBondContact O-N 2.9Å; A409-S413 PolarHBondContact O-OG 2.69Å; S410-S413 PolarHBondContact O-N 2.8Å; S413-A416 PolarHBondContact O-N 2.87Å; S413-L417 WeakPolarHBondContact O-CB 3.41Å; S413-L417 WeakPolarHBondContact O-CG 3.38Å; S413-L417 PolarHBondContact O-N 3.26Å |
| 414 | E | 95.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.3 | -81.7 | -59 | 151.5 | 0 | 0 | 112.9 | S410 L411 L417 Q418 R421 A452 | S410-E414 WeakPolarHBondContact O-CB 3.39Å; S410-E414 PolarHBondContact O-N 2.75Å; L411-E414 PolarHBondContact O-N 2.8Å; E414-L417 PolarHBondContact O-N 2.93Å; E414-Q418 VanDerWaalsContact O-CB 3.29Å; E414-Q418 WeakPolarHBondContact O-CB 3.48Å; E414-Q418 PolarHBondContact O-N 3.43Å; E414-R421 IonicContact OE2-CZ 2.7Å; E414-R421 IonicContact OE2-NH1 2.88Å; E414-R421 IonicContact OE2-NH2 3.05Å; E414-R421 PolarHBondContact OE2-NH2 3.22Å; E414-A452 HydrophobicContact CB-CB 3.91Å |
| 415 | A | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L411 C412 Q418 Q419 V444 D448 F449 A452 | L411-A415 WeakPolarHBondContact O-CB 3.13Å; L411-A415 PolarHBondContact O-N 3.08Å; C412-A415 PolarHBondContact O-N 3.37Å; A415-Q418 PolarHBondContact O-N 2.95Å; A415-Q419 PolarHBondContact O-N 3.2Å; A415-V444 HydrophobicContact CB-CG1 3.82Å; A415-D448 HydrophobicContact CB-CB 4.25Å; A415-F449 HydrophobicContact CB-CD1 3.64Å; A415-F449 HydrophobicContact CB-CD2 4.28Å; A415-F449 HydrophobicContact CB-CE1 3.8Å; A415-F449 HydrophobicContact CB-CE2 4.4Å; A415-F449 HydrophobicContact CB-CG 3.9Å; A415-F449 HydrophobicContact CB-CZ 4.18Å; A415-A452 HydrophobicContact CB-CB 4.1Å |
| 416 | A | 92.9 | Very high | 91.5 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C412 S413 Q418 Q419 I420 V444 | C412-A416 PolarHBondContact O-N 3.49Å; S413-A416 PolarHBondContact O-N 2.87Å; A416-Q418 VanDerWaalsContact C-N 3.3Å; A416-Q418 PolarHBondContact O-N 3.36Å; A416-Q419 PolarHBondContact O-N 2.95Å; A416-I420 WeakPolarHBondContact O-CG1 2.97Å; A416-I420 PolarHBondContact O-N 2.95Å; A416-I420 VanDerWaalsContact O-N 3.14Å; A416-V444 HydrophobicContact CB-CG2 4.09Å |
| 417 | L | 91.6 | Very high | 90.8 | Very high | 80 Ų | 80 | 51 Ų | 51 | 42% | 0.419 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 174.7 | -72 | 173.6 | 0 | 0 | 0 | 111.9 | S413 E414 Q419 I420 R421 | S413-L417 WeakPolarHBondContact O-CB 3.41Å; S413-L417 WeakPolarHBondContact O-CG 3.38Å; S413-L417 PolarHBondContact O-N 3.26Å; E414-L417 PolarHBondContact O-N 2.93Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.49Å; L417-I420 HydrophobicContact CD2-CD1 4.45Å; L417-I420 PolarHBondContact O-N 3.18Å; L417-R421 WeakPolarHBondContact O-CG 3.42Å; L417-R421 PolarHBondContact O-N 3.19Å |
| 418 | Q | 95.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.3 | -175.8 | 55.8 | 26.7 | 0 | 0 | 111.3 | E414 A415 A416 I420 R421 N422 D448 W451 | E414-Q418 VanDerWaalsContact O-CB 3.29Å; E414-Q418 WeakPolarHBondContact O-CB 3.48Å; E414-Q418 PolarHBondContact O-N 3.43Å; A415-Q418 PolarHBondContact O-N 2.95Å; A416-Q418 VanDerWaalsContact C-N 3.3Å; A416-Q418 PolarHBondContact O-N 3.36Å; Q418-I420 VanDerWaalsContact C-N 3.32Å; Q418-I420 PolarHBondContact O-N 3.08Å; Q418-R421 WeakPolarHBondContact O-CB 3.33Å; Q418-R421 PolarHBondContact O-N 3.11Å; Q418-R421 VanDerWaalsContact O-N 3.16Å; Q418-R421 VanDerWaalsContact OE1-NH2 3.12Å; Q418-N422 PolarHBondContact NE2-OD1 3.45Å; Q418-N422 PolarHBondContact O-N 3.43Å; Q418-N422 PolarHBondContact O-ND2 2.94Å; Q418-N422 PolarHBondContact O-OD1 2.64Å; Q418-D448 HydrophobicContact CB-CB 4.3Å; Q418-D448 HydrophobicContact CG-CB 4.38Å; Q418-D448 WeakPolarHBondContact CG-OD1 3.29Å; Q418-W451 HydrophobicContact CB-CE3 3.96Å; Q418-W451 HydrophobicContact CB-CZ3 4.28Å; Q418-W451 HydrophobicContact CG-CB 4.36Å; Q418-W451 HydrophobicContact CG-CD2 3.89Å; Q418-W451 HydrophobicContact CG-CE3 3.85Å; Q418-W451 HydrophobicContact CG-CG 4.13Å; Q418-W451 HydrophobicContact CG-CZ3 4.46Å |
| 419 | Q | 93.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.5 | -177.7 | 56.4 | -40.7 | 0 | 0 | 112.4 | A415 A416 L417 R421 N422 K423 L442 A443 V444 | A415-Q419 PolarHBondContact O-N 3.2Å; A416-Q419 PolarHBondContact O-N 2.95Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.49Å; Q419-R421 VanDerWaalsContact C-N 3.34Å; Q419-N422 PolarHBondContact O-N 2.98Å; Q419-N422 PolarHBondContact OE1-ND2 2.67Å; Q419-K423 WeakPolarHBondContact O-CG 3.15Å; Q419-K423 PolarHBondContact O-N 2.88Å; Q419-L442 HydrophobicContact CG-CD2 4.37Å; Q419-A443 PolarHBondContact NE2-O 3.17Å; Q419-V444 HydrophobicContact CB-CG2 4.32Å |
| 420 | I | 89.2 | Confident | 88.3 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 173.2 | -64.1 | 168.4 | 0 | 0 | 0 | 110.3 | A416 L417 Q418 N422 K423 M424 | A416-I420 WeakPolarHBondContact O-CG1 2.97Å; A416-I420 PolarHBondContact O-N 2.95Å; A416-I420 VanDerWaalsContact O-N 3.14Å; L417-I420 HydrophobicContact CD2-CD1 4.45Å; L417-I420 PolarHBondContact O-N 3.18Å; Q418-I420 VanDerWaalsContact C-N 3.32Å; Q418-I420 PolarHBondContact O-N 3.08Å; I420-N422 VanDerWaalsContact C-N 3.35Å; I420-N422 PolarHBondContact O-N 3.39Å; I420-K423 CarbonylContact O-C 3.51Å; I420-K423 PolarHBondContact O-N 2.99Å; I420-K423 VanDerWaalsContact O-N 3.13Å; I420-M424 PolarHBondContact O-N 2.82Å |
| 421 | R | 90.5 | Very high | 87.5 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.4 | -73.7 | -176.3 | -72 | -105.7 | 2 | 112.1 | E414 L417 Q418 Q419 K423 M424 | E414-R421 IonicContact OE2-CZ 2.7Å; E414-R421 IonicContact OE2-NH1 2.88Å; E414-R421 IonicContact OE2-NH2 3.05Å; E414-R421 PolarHBondContact OE2-NH2 3.22Å; L417-R421 WeakPolarHBondContact O-CG 3.42Å; L417-R421 PolarHBondContact O-N 3.19Å; Q418-R421 WeakPolarHBondContact O-CB 3.33Å; Q418-R421 PolarHBondContact O-N 3.11Å; Q418-R421 VanDerWaalsContact O-N 3.16Å; Q418-R421 VanDerWaalsContact OE1-NH2 3.12Å; Q419-R421 VanDerWaalsContact C-N 3.34Å; R421-K423 PolarHBondContact O-N 3.36Å; R421-M424 VanDerWaalsContact O-CB 3.29Å; R421-M424 WeakPolarHBondContact O-CB 3.05Å; R421-M424 PolarHBondContact O-N 2.66Å |
| 422 | N | 89.6 | Confident | 86.5 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -30.3 | 177.7 | -62.4 | -23.9 | 0 | 0 | 0 | 112.5 | Q418 Q419 I420 D448 | Q418-N422 PolarHBondContact NE2-OD1 3.45Å; Q418-N422 PolarHBondContact O-N 3.43Å; Q418-N422 PolarHBondContact O-ND2 2.94Å; Q418-N422 PolarHBondContact O-OD1 2.64Å; Q419-N422 PolarHBondContact O-N 2.98Å; Q419-N422 PolarHBondContact OE1-ND2 2.67Å; I420-N422 VanDerWaalsContact C-N 3.35Å; I420-N422 PolarHBondContact O-N 3.39Å; N422-D448 PolarHBondContact ND2-OD1 2.82Å |
| 423 | K | 84.7 | Confident | 85.6 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -96.4 | -2.3 | -178.9 | -65.4 | -75.9 | -176.7 | 158 | 0 | 113.5 | Q419 I420 R421 N425 L426 S441 L442 | Q419-K423 WeakPolarHBondContact O-CG 3.15Å; Q419-K423 PolarHBondContact O-N 2.88Å; I420-K423 CarbonylContact O-C 3.51Å; I420-K423 PolarHBondContact O-N 2.99Å; I420-K423 VanDerWaalsContact O-N 3.13Å; R421-K423 PolarHBondContact O-N 3.36Å; K423-N425 PolarHBondContact O-N 2.81Å; K423-L426 HydrophobicContact CD-CD1 3.73Å; K423-L426 WeakPolarHBondContact O-CB 3.49Å; K423-L426 PolarHBondContact O-N 2.79Å; K423-S441 PolarHBondContact NZ-OG 3.15Å; K423-L442 HydrophobicContact CB-CD2 4.06Å; K423-L442 HydrophobicContact CG-CD2 3.9Å |
| 424 | M | 83.9 | Confident | 84.6 | Confident | 85 Ų | 85 | 84.5 Ų | 84.5 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -59 | -33.5 | -175 | -171 | 166.5 | -79.9 | 0 | 0 | 112.7 | I420 R421 L426 I427 | I420-M424 PolarHBondContact O-N 2.82Å; R421-M424 VanDerWaalsContact O-CB 3.29Å; R421-M424 WeakPolarHBondContact O-CB 3.05Å; R421-M424 PolarHBondContact O-N 2.66Å; M424-L426 PolarHBondContact O-N 3.2Å; M424-I427 PolarHBondContact O-N 3.24Å; M424-I427 VanDerWaalsContact O-N 3.15Å |
| 425 | N | 82.4 | Confident | 83.8 | Confident | 160 Ų | 160 | 86.1 Ų | 86.1 | 86% | 0.856 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -68.5 | -12.9 | 177.3 | -61.3 | -15 | 0 | 0 | 0 | 114 | K423 | K423-N425 PolarHBondContact O-N 2.81Š|
| 426 | L | 80.3 | Confident | 82.9 | Confident | 106 Ų | 106 | 89 Ų | 89 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -97.2 | -6.4 | 177.2 | -55.9 | 176.4 | 0 | 0 | 0 | 112.4 | K423 M424 V438 | K423-L426 HydrophobicContact CD-CD1 3.73Å; K423-L426 WeakPolarHBondContact O-CB 3.49Å; K423-L426 PolarHBondContact O-N 2.79Å; M424-L426 PolarHBondContact O-N 3.2Å; L426-V438 HydrophobicContact CB-CG1 4.43Å; L426-V438 HydrophobicContact CB-CG2 4.24Å |
| 427 | I | 77.1 | Confident | 82.2 | Confident | 36 Ų | 36 | 95 Ų | 95 | 19% | 0.185 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -107.3 | 117.7 | -178 | -57.9 | 171.4 | 0 | 0 | 0 | 106.9 | M424 L429 I434 V438 | M424-I427 PolarHBondContact O-N 3.24Å; M424-I427 VanDerWaalsContact O-N 3.15Å; I427-L429 HydrophobicContact CG2-CD2 4.48Å; I427-L429 PolarHBondContact O-N 3.4Å; I427-I434 HydrophobicContact CG1-CG2 4.47Å; I427-I434 HydrophobicContact CG2-CG1 4.34Å; I427-V438 HydrophobicContact CG1-CG1 4.01Å |
| 428 | D | 77.1 | Confident | 81.7 | Confident | 92 Ų | 92 | 92.1 Ų | 92.1 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | trans | -72.7 | 118.9 | 166.4 | -164.6 | -22.8 | 0 | 0 | 0 | 108.4 | E430 D431 | D428-E430 VanDerWaalsContact C-N 3.26Å; D428-E430 PolarHBondContact OD1-N 3.09Å; D428-D431 HydrophobicContact CB-CB 4.31Å | ||
| 429 | L | 76.2 | Confident | 80.8 | Confident | 140 Ų | 140 | 94.9 Ų | 94.9 | 73% | 0.733 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -78.5 | -12.3 | -178.8 | -64.7 | 174.5 | 0 | 0 | 0 | 112.4 | I427 | I427-L429 HydrophobicContact CG2-CD2 4.48Å; I427-L429 PolarHBondContact O-N 3.4Å |
| 430 | E | 78.4 | Confident | 80.2 | Confident | 182 Ų | 182 | 99.1 Ų | 99.1 | 85% | 0.85 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -84.7 | -19.5 | 175.6 | -61.3 | -169 | 170.7 | 0 | 0 | 112.6 | D428 | D428-E430 VanDerWaalsContact C-N 3.26Å; D428-E430 PolarHBondContact OD1-N 3.09Å |
| 431 | D | 76.7 | Confident | 79.9 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | trans | -86 | 135 | 177.2 | -86.1 | -19.9 | 0 | 0 | 0 | 111.9 | D428 T433 | D428-D431 HydrophobicContact CB-CB 4.31Å; D431-T433 PolarHBondContact O-N 3.27Å | ||
| 432 | D | 75.3 | Confident | 79.7 | Confident | 175 Ų | 175 | 95.4 Ų | 95.4 | 94% | 0.936 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -73.2 | -7.1 | 174.9 | -73.9 | -34 | 0 | 0 | 0 | 113.1 | ||
| 433 | T | 76.8 | Confident | 79.8 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | trans | -126.9 | 139.9 | -176 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | D431 | D431-T433 PolarHBondContact O-N 3.27Š| ||
| 434 | I | 73.1 | Confident | 80.3 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | trans | -104.8 | 134.5 | 177.2 | -54 | 173.9 | 0 | 0 | 0 | 108.8 | I427 A436 V438 L439 | I427-I434 HydrophobicContact CG1-CG2 4.47Å; I427-I434 HydrophobicContact CG2-CG1 4.34Å; I434-A436 PolarHBondContact O-N 3.06Å; I434-V438 HydrophobicContact CG2-CB 4.24Å; I434-V438 HydrophobicContact CG2-CG1 4.21Å; I434-L439 HydrophobicContact CB-CD1 4.37Å; I434-L439 HydrophobicContact CB-CD2 4.2Å; I434-L439 HydrophobicContact CB-CG 4.17Å; I434-L439 HydrophobicContact CD1-CD2 4.32Å; I434-L439 HydrophobicContact CG2-CD2 3.88Å; I434-L439 HydrophobicContact CG2-CG 3.83Å | ||
| 435 | D | 77.5 | Confident | 81 | Confident | 98 Ų | 98 | 88 Ų | 88 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | trans | -55.1 | 131.8 | 176 | -167.6 | -34.5 | 0 | 0 | 0 | 111.1 | E437 V438 L439 | D435-E437 PolarHBondContact O-N 3.16Å; D435-E437 PolarHBondContact OD1-N 3.39Å; D435-V438 HydrophobicContact CB-CB 4.38Å; D435-V438 HydrophobicContact CB-CG2 4.02Å; D435-V438 WeakPolarHBondContact O-CB 3.41Å; D435-V438 PolarHBondContact O-N 3.44Å; D435-L439 PolarHBondContact O-N 2.85Å | ||
| 436 | A | 78.2 | Confident | 81.7 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.1 | -31.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I434 N440 | I434-A436 PolarHBondContact O-N 3.06Å; A436-N440 VanDerWaalsContact O-CB 3.23Å; A436-N440 WeakPolarHBondContact O-CB 3.45Å; A436-N440 PolarHBondContact O-N 3.45Å; A436-N440 PolarHBondContact O-ND2 3.06Å; A436-N440 VanDerWaalsContact O-ND2 3.1Å |
| 437 | E | 80 | Confident | 82.5 | Confident | 152 Ų | 152 | 80.3 Ų | 80.3 | 71% | 0.71 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 174.5 | -68.3 | -168.1 | 175.7 | 0 | 0 | 111.7 | D435 N440 S441 | D435-E437 PolarHBondContact O-N 3.16Å; D435-E437 PolarHBondContact OD1-N 3.39Å; E437-N440 PolarHBondContact O-N 3.2Å; E437-S441 WeakPolarHBondContact O-CB 3.48Å; E437-S441 PolarHBondContact O-N 3.37Å |
| 438 | V | 80.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.121 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 176.6 | 177 | 0 | 0 | 0 | 0 | 109.9 | L426 I427 I434 D435 N440 S441 L442 | L426-V438 HydrophobicContact CB-CG1 4.43Å; L426-V438 HydrophobicContact CB-CG2 4.24Å; I427-V438 HydrophobicContact CG1-CG1 4.01Å; I434-V438 HydrophobicContact CG2-CB 4.24Å; I434-V438 HydrophobicContact CG2-CG1 4.21Å; D435-V438 HydrophobicContact CB-CB 4.38Å; D435-V438 HydrophobicContact CB-CG2 4.02Å; D435-V438 WeakPolarHBondContact O-CB 3.41Å; D435-V438 PolarHBondContact O-N 3.44Å; V438-N440 VanDerWaalsContact C-N 3.34Å; V438-N440 PolarHBondContact O-N 2.9Å; V438-S441 WeakPolarHBondContact O-CB 3.32Å; V438-S441 PolarHBondContact O-N 2.85Å; V438-S441 PolarHBondContact O-OG 3.43Å; V438-L442 PolarHBondContact O-N 2.86Å |
| 439 | L | 76.6 | Confident | 84.4 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 175.4 | -68.2 | 175.5 | 0 | 0 | 0 | 112.2 | I434 D435 S441 L442 | I434-L439 HydrophobicContact CB-CD1 4.37Å; I434-L439 HydrophobicContact CB-CD2 4.2Å; I434-L439 HydrophobicContact CB-CG 4.17Å; I434-L439 HydrophobicContact CD1-CD2 4.32Å; I434-L439 HydrophobicContact CG2-CD2 3.88Å; I434-L439 HydrophobicContact CG2-CG 3.83Å; D435-L439 PolarHBondContact O-N 2.85Å; L439-S441 PolarHBondContact O-N 3.32Å; L439-L442 HydrophobicContact CD2-CD1 4.14Å; L439-L442 WeakPolarHBondContact O-CB 3.37Å; L439-L442 PolarHBondContact O-N 3.32Å |
| 440 | N | 79.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.2 | -19.8 | 177.3 | -77.9 | -32.4 | 0 | 0 | 0 | 113.2 | R386 A436 E437 V438 | R386-N440 PolarHBondContact NH1-O 3.05Å; R386-N440 PolarHBondContact NH2-O 3.38Å; A436-N440 VanDerWaalsContact O-CB 3.23Å; A436-N440 WeakPolarHBondContact O-CB 3.45Å; A436-N440 PolarHBondContact O-N 3.45Å; A436-N440 PolarHBondContact O-ND2 3.06Å; A436-N440 VanDerWaalsContact O-ND2 3.1Å; E437-N440 PolarHBondContact O-N 3.2Å; V438-N440 VanDerWaalsContact C-N 3.34Å; V438-N440 PolarHBondContact O-N 2.9Å |
| 441 | S | 84 | Confident | 86 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -87.2 | -10.3 | 175.5 | 86.1 | 0 | 0 | 0 | 0 | 114.1 | K423 E437 V438 L439 A443 | K423-S441 PolarHBondContact NZ-OG 3.15Å; E437-S441 WeakPolarHBondContact O-CB 3.48Å; E437-S441 PolarHBondContact O-N 3.37Å; V438-S441 WeakPolarHBondContact O-CB 3.32Å; V438-S441 PolarHBondContact O-N 2.85Å; V438-S441 PolarHBondContact O-OG 3.43Å; L439-S441 PolarHBondContact O-N 3.32Å; S441-A443 PolarHBondContact O-N 2.94Å; S441-A443 VanDerWaalsContact O-N 3.15Å |
| 442 | L | 84.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | trans | -74.1 | 102.7 | 177.8 | -71.4 | 170.4 | 0 | 0 | 0 | 110.4 | R386 Q419 K423 V438 L439 | R386-L442 WeakPolarHBondContact CD-O 3.46Å; Q419-L442 HydrophobicContact CG-CD2 4.37Å; K423-L442 HydrophobicContact CB-CD2 4.06Å; K423-L442 HydrophobicContact CG-CD2 3.9Å; V438-L442 PolarHBondContact O-N 2.86Å; L439-L442 HydrophobicContact CD2-CD1 4.14Å; L439-L442 WeakPolarHBondContact O-CB 3.37Å; L439-L442 PolarHBondContact O-N 3.32Å | ||
| 443 | A | 92 | Very high | 87.5 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | trans | -140.6 | 124.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | R386 A388 Q419 S441 T445 | R386-A443 HydrophobicContact CG-CB 4.03Å; R386-A443 CarbonylContact O-C 3.57Å; R386-A443 WeakPolarHBondContact O-CA 3.37Å; A388-A443 HydrophobicContact CB-CB 4.08Å; Q419-A443 PolarHBondContact NE2-O 3.17Å; S441-A443 PolarHBondContact O-N 2.94Å; S441-A443 VanDerWaalsContact O-N 3.15Å; A443-T445 PolarHBondContact O-N 3.28Å | ||
| 444 | V | 96.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 127.6 | -178.2 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | I385 R386 L387 A388 V391 A415 A416 Q419 D448 F449 | I385-V444 HydrophobicContact CG2-CB 4.14Å; I385-V444 HydrophobicContact CG2-CG2 3.43Å; I385-V444 VanDerWaalsContact CG2-CG2 3.43Å; R386-V444 PolarHBondContact O-N 3.1Å; L387-V444 HydrophobicContact CD2-CB 4.27Å; A388-V444 PolarHBondContact N-O 2.96Å; V391-V444 WeakPolarHBondContact CG2-O 3.47Å; A415-V444 HydrophobicContact CB-CG1 3.82Å; A416-V444 HydrophobicContact CB-CG2 4.09Å; Q419-V444 HydrophobicContact CB-CG2 4.32Å; V444-D448 HydrophobicContact CG1-CB 3.92Å; V444-F449 HydrophobicContact CG1-CD2 4.05Å; V444-F449 HydrophobicContact CG1-CE2 3.67Å; V444-F449 HydrophobicContact CG1-CZ 4.27Å |
| 445 | T | 97.2 | Very high | 88.2 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | trans | -98.5 | 167.9 | -174.2 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | A388 A443 D447 D448 F449 | A388-T445 HydrophobicContact CB-CG2 4.05Å; A443-T445 PolarHBondContact O-N 3.28Å; T445-D447 PolarHBondContact O-N 3.02Å; T445-D448 PolarHBondContact N-OD2 3.02Å; T445-D448 WeakPolarHBondContact O-CB 3.29Å; T445-D448 PolarHBondContact O-N 2.58Å; T445-D448 VanDerWaalsContact OG1-CG 3.22Å; T445-D448 PolarHBondContact OG1-N 3.41Å; T445-D448 PolarHBondContact OG1-OD2 3.29Å; T445-F449 WeakPolarHBondContact O-CD2 3.36Å; T445-F449 PolarHBondContact O-N 3.41Å | ||
| 446 | M | 97.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 175 | -172.8 | 62.3 | -173.9 | 0 | 0 | 111.7 | D390 K395 I396 D448 F449 R450 | D390-M446 WeakPolarHBondContact OD2-CB 3.38Å; D390-M446 PolarHBondContact OD2-N 3.14Å; K395-M446 HydrophobicContact CB-CE 4.06Å; I396-M446 HydrophobicContact CD1-CE 4.4Å; I396-M446 HydrophobicContact CD1-SD 3.94Å; I396-M446 HydrophobicContact CG1-CE 3.85Å; I396-M446 HydrophobicContact CG1-SD 4.06Å; M446-D448 VanDerWaalsContact C-N 3.35Å; M446-F449 PolarHBondContact O-N 2.85Å; M446-R450 WeakPolarHBondContact O-CG 3.5Å; M446-R450 PolarHBondContact O-N 3.3Å |
| 447 | D | 97.1 | Very high | 87.9 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.8 | -33.3 | 178.2 | -73.8 | -17.7 | 0 | 0 | 0 | 112.3 | T445 F449 R450 W451 | T445-D447 PolarHBondContact O-N 3.02Å; D447-F449 VanDerWaalsContact C-N 3.33Å; D447-F449 PolarHBondContact O-N 2.82Å; D447-R450 PolarHBondContact O-N 2.92Å; D447-R450 IonicContact OD1-NH1 3.19Å; D447-R450 PolarHBondContact OD1-NH1 3.33Å; D447-W451 WeakPolarHBondContact O-CB 3.37Å; D447-W451 PolarHBondContact O-N 2.95Å |
| 448 | D | 97.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.9 | -61.8 | -49.6 | 0 | 0 | 0 | 111.4 | A415 Q418 N422 V444 T445 M446 W451 A452 | A415-D448 HydrophobicContact CB-CB 4.25Å; Q418-D448 HydrophobicContact CB-CB 4.3Å; Q418-D448 HydrophobicContact CG-CB 4.38Å; Q418-D448 WeakPolarHBondContact CG-OD1 3.29Å; N422-D448 PolarHBondContact ND2-OD1 2.82Å; V444-D448 HydrophobicContact CG1-CB 3.92Å; T445-D448 PolarHBondContact N-OD2 3.02Å; T445-D448 WeakPolarHBondContact O-CB 3.29Å; T445-D448 PolarHBondContact O-N 2.58Å; T445-D448 VanDerWaalsContact OG1-CG 3.22Å; T445-D448 PolarHBondContact OG1-N 3.41Å; T445-D448 PolarHBondContact OG1-OD2 3.29Å; M446-D448 VanDerWaalsContact C-N 3.35Å; D448-W451 PolarHBondContact O-N 2.91Å; D448-A452 WeakPolarHBondContact O-CB 3.33Å; D448-A452 PolarHBondContact O-N 3.43Å |
| 449 | F | 97.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 174.9 | -81.7 | -74.4 | 0 | 0 | 0 | 112.7 | T382 L387 V391 L393 I396 L411 A415 V444 T445 M446 D447 W451 A452 L453 | T382-F449 HydrophobicContact CG2-CZ 3.91Å; L387-F449 HydrophobicContact CD2-CE2 3.94Å; L387-F449 HydrophobicContact CD2-CZ 4.2Å; V391-F449 HydrophobicContact CG1-CD2 4.01Å; V391-F449 HydrophobicContact CG1-CE2 3.79Å; V391-F449 HydrophobicContact CG2-CD2 4.39Å; V391-F449 HydrophobicContact CG2-CE2 4.35Å; L393-F449 HydrophobicContact CD2-CZ 4.33Å; I396-F449 HydrophobicContact CD1-CB 3.49Å; I396-F449 VanDerWaalsContact CD1-CB 3.49Å; I396-F449 HydrophobicContact CD1-CD1 3.69Å; I396-F449 HydrophobicContact CD1-CD2 3.74Å; I396-F449 HydrophobicContact CD1-CE1 4.31Å; I396-F449 HydrophobicContact CD1-CE2 4.37Å; I396-F449 HydrophobicContact CD1-CG 3.36Å; I396-F449 HydrophobicContact CG1-CB 4.15Å; I396-F449 HydrophobicContact CG1-CG 4.45Å; L411-F449 HydrophobicContact CD2-CD1 3.91Å; L411-F449 HydrophobicContact CD2-CE1 4.26Å; A415-F449 HydrophobicContact CB-CD1 3.64Å; A415-F449 HydrophobicContact CB-CD2 4.28Å; A415-F449 HydrophobicContact CB-CE1 3.8Å; A415-F449 HydrophobicContact CB-CE2 4.4Å; A415-F449 HydrophobicContact CB-CG 3.9Å; A415-F449 HydrophobicContact CB-CZ 4.18Å; V444-F449 HydrophobicContact CG1-CD2 4.05Å; V444-F449 HydrophobicContact CG1-CE2 3.67Å; V444-F449 HydrophobicContact CG1-CZ 4.27Å; T445-F449 WeakPolarHBondContact O-CD2 3.36Å; T445-F449 PolarHBondContact O-N 3.41Å; M446-F449 PolarHBondContact O-N 2.85Å; D447-F449 VanDerWaalsContact C-N 3.33Å; D447-F449 PolarHBondContact O-N 2.82Å; F449-W451 VanDerWaalsContact C-N 3.33Å; F449-A452 PolarHBondContact O-N 2.93Å; F449-L453 WeakPolarHBondContact O-CB 3.34Å; F449-L453 PolarHBondContact O-N 2.93Å |
| 450 | R | 94.3 | Very high | 86.3 | Confident | 128 Ų | 128 | 49.9 Ų | 49.9 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.8 | -74.6 | 178.5 | 177.7 | 140.3 | -1 | 111.6 | M446 D447 L453 G454 | M446-R450 WeakPolarHBondContact O-CG 3.5Å; M446-R450 PolarHBondContact O-N 3.3Å; D447-R450 PolarHBondContact O-N 2.92Å; D447-R450 IonicContact OD1-NH1 3.19Å; D447-R450 PolarHBondContact OD1-NH1 3.33Å; R450-L453 PolarHBondContact O-N 2.87Å; R450-G454 PolarHBondContact O-N 2.97Å |
| 451 | W | 94.3 | Very high | 85.2 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.3 | -176 | 96.5 | 0 | 0 | 0 | 111.3 | Q418 D447 D448 F449 G454 K455 | Q418-W451 HydrophobicContact CB-CE3 3.96Å; Q418-W451 HydrophobicContact CB-CZ3 4.28Å; Q418-W451 HydrophobicContact CG-CB 4.36Å; Q418-W451 HydrophobicContact CG-CD2 3.89Å; Q418-W451 HydrophobicContact CG-CE3 3.85Å; Q418-W451 HydrophobicContact CG-CG 4.13Å; Q418-W451 HydrophobicContact CG-CZ3 4.46Å; D447-W451 WeakPolarHBondContact O-CB 3.37Å; D447-W451 PolarHBondContact O-N 2.95Å; D448-W451 PolarHBondContact O-N 2.91Å; F449-W451 VanDerWaalsContact C-N 3.33Å; W451-G454 PolarHBondContact O-N 2.83Å; W451-K455 HydrophobicContact CH2-CD 3.5Å; W451-K455 VanDerWaalsContact CH2-CE 3.47Å; W451-K455 HydrophobicContact CH2-CG 4.43Å; W451-K455 HydrophobicContact CZ2-CD 3.81Å; W451-K455 VanDerWaalsContact CZ2-NZ 3.3Å; W451-K455 HydrophobicContact CZ3-CD 3.88Å; W451-K455 HydrophobicContact CZ3-CG 4.46Å; W451-K455 PolarHBondContact O-N 3.06Å |
| 452 | A | 94.3 | Very high | 83.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L411 E414 A415 D448 F449 G454 K455 S456 | L411-A452 HydrophobicContact CG-CB 4.41Å; E414-A452 HydrophobicContact CB-CB 3.91Å; A415-A452 HydrophobicContact CB-CB 4.1Å; D448-A452 WeakPolarHBondContact O-CB 3.33Å; D448-A452 PolarHBondContact O-N 3.43Å; F449-A452 PolarHBondContact O-N 2.93Å; A452-G454 VanDerWaalsContact C-N 3.32Å; A452-G454 PolarHBondContact O-N 3.45Å; A452-K455 PolarHBondContact O-N 2.89Å; A452-S456 PolarHBondContact O-N 3.03Å; A452-S456 PolarHBondContact O-OG 3.09Å |
| 453 | L | 87.8 | Confident | 82.1 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.2 | -169.1 | 68.1 | 0 | 0 | 0 | 111.9 | E399 A400 L411 F449 R450 K455 S456 | E399-L453 HydrophobicContact CB-CD2 3.69Å; A400-L453 HydrophobicContact CB-CD1 4.14Å; L411-L453 HydrophobicContact CD1-CB 3.93Å; L411-L453 HydrophobicContact CD1-CD1 3.56Å; L411-L453 HydrophobicContact CD1-CG 4.36Å; F449-L453 WeakPolarHBondContact O-CB 3.34Å; F449-L453 PolarHBondContact O-N 2.93Å; R450-L453 PolarHBondContact O-N 2.87Å; L453-K455 PolarHBondContact O-N 3.07Å; L453-S456 WeakPolarHBondContact CA-OG 3.38Å; L453-S456 PolarHBondContact O-N 3.48Å; L453-S456 PolarHBondContact O-OG 3.35Å; L453-S456 VanDerWaalsContact O-OG 3.08Å |
| 454 | G | 83.4 | Confident | 80.1 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.1 | -18.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R450 W451 A452 | R450-G454 PolarHBondContact O-N 2.97Å; W451-G454 PolarHBondContact O-N 2.83Å; A452-G454 VanDerWaalsContact C-N 3.32Å; A452-G454 PolarHBondContact O-N 3.45Å |
| 455 | K | 81.7 | Confident | 78.1 | Confident | 138 Ų | 138 | 62 Ų | 62 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -100.3 | -25.1 | 174.3 | -75.9 | -154.1 | 174.4 | -177.5 | 0 | 114.1 | W451 A452 L453 | W451-K455 HydrophobicContact CH2-CD 3.5Å; W451-K455 VanDerWaalsContact CH2-CE 3.47Å; W451-K455 HydrophobicContact CH2-CG 4.43Å; W451-K455 HydrophobicContact CZ2-CD 3.81Å; W451-K455 VanDerWaalsContact CZ2-NZ 3.3Å; W451-K455 HydrophobicContact CZ3-CD 3.88Å; W451-K455 HydrophobicContact CZ3-CG 4.46Å; W451-K455 PolarHBondContact O-N 3.06Å; A452-K455 PolarHBondContact O-N 2.89Å; L453-K455 PolarHBondContact O-N 3.07Å |
| 456 | S | 76.7 | Confident | 76.5 | Confident | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | trans | -78.9 | 137.6 | -177.2 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | H403 L411 A452 L453 | H403-S456 PolarHBondContact NE2-OG 3.19Å; L411-S456 WeakPolarHBondContact CD1-OG 3.25Å; A452-S456 PolarHBondContact O-N 3.03Å; A452-S456 PolarHBondContact O-OG 3.09Å; L453-S456 WeakPolarHBondContact CA-OG 3.38Å; L453-S456 PolarHBondContact O-N 3.48Å; L453-S456 PolarHBondContact O-OG 3.35Å; L453-S456 VanDerWaalsContact O-OG 3.08Å | ||
| 457 | N | 72.5 | Confident | 75.1 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | trans | -117.2 | 135.7 | 169 | -74.3 | -59 | 0 | 0 | 0 | 109.4 | S459 | N457-S459 PolarHBondContact O-N 3.14Š| ||
| 458 | P | 71 | Confident | 73.8 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | trans | -55 | 122.6 | 174.5 | -26.2 | 33.3 | 0 | 0 | 0 | 112.2 | H401 L461 | H401-P458 WeakPolarHBondContact O-CG 3.43Å; P458-L461 HydrophobicContact CB-CB 4.19Å; P458-L461 HydrophobicContact CB-CD1 3.47Å; P458-L461 VanDerWaalsContact CB-CD1 3.47Å; P458-L461 HydrophobicContact CB-CG 3.59Å; P458-L461 HydrophobicContact CG-CD1 3.73Å; P458-L461 HydrophobicContact CG-CG 4.39Å; P458-L461 PolarHBondContact O-N 3.12Å | ||
| 459 | S | 72.2 | Confident | 72.9 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 12% | 0.119 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -75.6 | -30.4 | -176.2 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | V404 D407 N457 L461 R462 | V404-S459 WeakPolarHBondContact CG2-OG 3.29Å; D407-S459 VanDerWaalsContact CG-OG 3.23Å; D407-S459 WeakPolarHBondContact OD1-CB 3.39Å; D407-S459 PolarHBondContact OD1-N 3.4Å; D407-S459 PolarHBondContact OD1-OG 3.15Å; D407-S459 PolarHBondContact OD2-N 2.96Å; D407-S459 PolarHBondContact OD2-OG 3.22Å; D407-S459 VanDerWaalsContact OD2-OG 3.14Å; N457-S459 PolarHBondContact O-N 3.14Å; S459-L461 PolarHBondContact O-N 3.02Å; S459-R462 VanDerWaalsContact CB-NH2 3.32Å; S459-R462 PolarHBondContact O-N 3.06Å; S459-R462 PolarHBondContact O-NE 2.79Å |
| 460 | A | 60 | Low | 72 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -63.9 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | P243 I368 V404 | P243-A460 HydrophobicContact CB-CB 4.01Å; P243-A460 HydrophobicContact CG-CB 4.5Å; I368-A460 HydrophobicContact CD1-CB 3.72Å; I368-A460 HydrophobicContact CG1-CB 4.13Å; V404-A460 HydrophobicContact CG1-CB 3.68Å |
| 461 | L | 57.3 | Low | 71.6 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -96.4 | 5.4 | -173.7 | -49.1 | -175.1 | 0 | 0 | 0 | 113.3 | I368 P458 S459 V466 | I368-L461 HydrophobicContact CD1-CD2 4.28Å; P458-L461 HydrophobicContact CB-CB 4.19Å; P458-L461 HydrophobicContact CB-CD1 3.47Å; P458-L461 VanDerWaalsContact CB-CD1 3.47Å; P458-L461 HydrophobicContact CB-CG 3.59Å; P458-L461 HydrophobicContact CG-CD1 3.73Å; P458-L461 HydrophobicContact CG-CG 4.39Å; P458-L461 PolarHBondContact O-N 3.12Å; S459-L461 PolarHBondContact O-N 3.02Å; L461-V466 HydrophobicContact CB-CB 3.77Å; L461-V466 HydrophobicContact CB-CG2 4.29Å; L461-V466 WeakPolarHBondContact CB-O 3.3Å; L461-V466 HydrophobicContact CD1-CB 4.08Å; L461-V466 HydrophobicContact CD1-CG1 4.28Å; L461-V466 WeakPolarHBondContact CD1-O 3.43Å; L461-V466 HydrophobicContact CD2-CB 3.35Å; L461-V466 HydrophobicContact CD2-CG1 3.55Å; L461-V466 HydrophobicContact CD2-CG2 3.77Å; L461-V466 HydrophobicContact CG-CB 3.83Å; L461-V466 HydrophobicContact CG-CG1 4.34Å |
| 462 | R | 53.6 | Low | 71.4 | Confident | 197 Ų | 197 | 61.5 Ų | 61.5 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -22 | -172.2 | -74.9 | -171.6 | -73.7 | -175.3 | -5.5 | 116 | S459 | S459-R462 VanDerWaalsContact CB-NH2 3.32Å; S459-R462 PolarHBondContact O-N 3.06Å; S459-R462 PolarHBondContact O-NE 2.79Å |
| 463 | E | 49.3 | Very low | 71.1 | Confident | 133 Ų | 133 | 62.6 Ų | 62.6 | 62% | 0.621 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.5 | -172.4 | -77.4 | -166.2 | 168 | 0 | 0 | 115.5 | R346 K562 | R346-E463 IonicContact NH2-OE1 3.86Å; E463-K562 PolarHBondContact O-NZ 3.5Å; E463-K562 IonicContact OE2-NZ 3.11Å |
| 464 | T | 51 | Low | 71.1 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.9 | 131.7 | 159.9 | 38.7 | 0 | 0 | 0 | 0 | 102.2 | V466 I559 K562 | T464-V466 WeakPolarHBondContact O-CG2 3.38Å; T464-V466 PolarHBondContact O-N 3.37Å; T464-I559 HydrophobicContact CG2-CG1 4.38Å; T464-K562 HydrophobicContact CG2-CD 4Å; T464-K562 WeakPolarHBondContact OG1-CD 3.14Å |
| 465 | T | 54.6 | Low | 71.2 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 82.1 | -174.7 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | E467 | T465-E467 PolarHBondContact O-N 2.79Å; T465-E467 VanDerWaalsContact O-N 3.13Å |
| 466 | V | 62.5 | Low | 71.4 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 104.9 | 165.1 | -170.7 | 0 | 0 | 0 | 0 | 103 | L461 T464 N535 F536 I537 A566 | L461-V466 HydrophobicContact CB-CB 3.77Å; L461-V466 HydrophobicContact CB-CG2 4.29Å; L461-V466 WeakPolarHBondContact CB-O 3.3Å; L461-V466 HydrophobicContact CD1-CB 4.08Å; L461-V466 HydrophobicContact CD1-CG1 4.28Å; L461-V466 WeakPolarHBondContact CD1-O 3.43Å; L461-V466 HydrophobicContact CD2-CB 3.35Å; L461-V466 HydrophobicContact CD2-CG1 3.55Å; L461-V466 HydrophobicContact CD2-CG2 3.77Å; L461-V466 HydrophobicContact CG-CB 3.83Å; L461-V466 HydrophobicContact CG-CG1 4.34Å; T464-V466 WeakPolarHBondContact O-CG2 3.38Å; T464-V466 PolarHBondContact O-N 3.37Å; V466-N535 HydrophobicContact CG1-CB 3.67Å; V466-F536 CarbonylContact C-O 3.6Å; V466-F536 WeakPolarHBondContact CA-O 3.21Å; V466-I537 HydrophobicContact CB-CG1 4.12Å; V466-I537 HydrophobicContact CG1-CD1 4.41Å; V466-I537 HydrophobicContact CG1-CG1 3.87Å; V466-I537 HydrophobicContact CG2-CD1 3.78Å; V466-I537 HydrophobicContact CG2-CG1 3.8Å; V466-A566 HydrophobicContact CG1-CB 4.17Å |
| 467 | E | 67.5 | Low | 71.6 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 144.8 | -179.9 | -66 | 178.4 | -175.7 | 0 | 0 | 108.3 | T465 P469 K526 F536 | T465-E467 PolarHBondContact O-N 2.79Å; T465-E467 VanDerWaalsContact O-N 3.13Å; E467-P469 WeakPolarHBondContact O-CD 3.14Å; E467-K526 IonicContact OE2-NZ 2.86Å; E467-K526 PolarHBondContact OE2-NZ 3.14Å; E467-F536 PolarHBondContact N-O 3.43Å; E467-F536 WeakPolarHBondContact O-CB 3.39Å; E467-F536 PolarHBondContact O-N 2.9Å |
| 468 | V | 70.4 | Confident | 72.3 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 38% | 0.382 | 28% | 0.281 | S | S | . | . | trans | -90.3 | 107 | 161.3 | -176.5 | 0 | 0 | 0 | 0 | 105.3 | H401 | H401-V468 HydrophobicContact CB-CB 4.39Å; H401-V468 HydrophobicContact CB-CG1 3.85Å; H401-V468 HydrophobicContact CB-CG2 3.59Å | ||
| 469 | P | 78.1 | Confident | 73.1 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -67.8 | 137.8 | -176.6 | 29 | -34.1 | 0 | 0 | 0 | 109.6 | E467 K526 A529 N530 F536 | E467-P469 WeakPolarHBondContact O-CD 3.14Å; P469-K526 HydrophobicContact CB-CB 4.04Å; P469-K526 HydrophobicContact CB-CG 4.47Å; P469-K526 VanDerWaalsContact CB-O 3.3Å; P469-K526 WeakPolarHBondContact CB-O 2.9Å; P469-A529 HydrophobicContact CG-CB 3.72Å; P469-N530 HydrophobicContact CB-CB 4.13Å; P469-N530 HydrophobicContact CG-CB 3.88Å; P469-N530 WeakPolarHBondContact O-CB 3.42Å; P469-N530 PolarHBondContact O-OD1 3.25Å; P469-N530 VanDerWaalsContact O-OD1 3.06Å; P469-F536 HydrophobicContact CB-CB 4.32Å; P469-F536 HydrophobicContact CG-CB 3.94Å | ||
| 470 | N | 79 | Confident | 74 | Confident | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | trans | -112.8 | 10 | 176.6 | 65 | -11 | 0 | 0 | 0 | 112.6 | ||||
| 471 | V | 86.5 | Confident | 75.3 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | trans | -81.3 | 131.1 | 178 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | D475 L523 K526 A527 N530 | V471-D475 HydrophobicContact CG1-CB 3.86Å; V471-L523 HydrophobicContact CG1-CD2 4.3Å; V471-L523 HydrophobicContact CG2-CD2 4.26Å; V471-K526 HydrophobicContact CB-CB 3.97Å; V471-K526 HydrophobicContact CG2-CB 3.84Å; V471-K526 HydrophobicContact CG2-CD 4.18Å; V471-A527 HydrophobicContact CG1-CB 4.12Å; V471-A527 WeakPolarHBondContact O-CA 3.5Å; V471-N530 WeakPolarHBondContact O-CB 3.5Å; V471-N530 PolarHBondContact O-ND2 3.42Å | ||
| 472 | T | 89.1 | Confident | 76.9 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | trans | -109.5 | 170.4 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 111 | D474 D475 | T472-D474 PolarHBondContact O-N 3.01Å; T472-D475 PolarHBondContact N-OD2 2.82Å; T472-D475 WeakPolarHBondContact O-CB 3.44Å; T472-D475 PolarHBondContact O-N 3Å; T472-D475 VanDerWaalsContact O-N 3.08Å; T472-D475 PolarHBondContact OG1-OD2 2.67Å | ||
| 473 | W | 89.2 | Confident | 78.7 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -59.1 | -25.8 | 172.4 | -68.1 | 128.8 | 0 | 0 | 0 | 114 | D475 I476 K483 L486 Q487 L524 A527 I528 E531 | W473-D475 PolarHBondContact O-N 2.64Å; W473-I476 HydrophobicContact CE3-CD1 4.16Å; W473-I476 HydrophobicContact CZ3-CD1 4.2Å; W473-I476 PolarHBondContact O-N 2.82Å; W473-K483 HydrophobicContact CB-CD 4.49Å; W473-K483 HydrophobicContact CD2-CD 4.21Å; W473-K483 HydrophobicContact CD2-CG 4.3Å; W473-K483 HydrophobicContact CE3-CB 4.35Å; W473-K483 HydrophobicContact CE3-CD 3.85Å; W473-K483 HydrophobicContact CE3-CG 3.69Å; W473-K483 HydrophobicContact CG-CD 4.5Å; W473-K483 HydrophobicContact CZ3-CB 4.37Å; W473-K483 HydrophobicContact CZ3-CG 3.85Å; W473-K483 PolarHBondContact O-NZ 2.95Å; W473-K483 VanDerWaalsContact O-NZ 3.11Å; W473-L486 HydrophobicContact CH2-CB 4.47Å; W473-L486 HydrophobicContact CH2-CD1 4.32Å; W473-Q487 HydrophobicContact CZ2-CG 4.27Å; W473-L524 HydrophobicContact CZ3-CD1 3.75Å; W473-A527 HydrophobicContact CD2-CB 4.39Å; W473-A527 HydrophobicContact CE3-CB 3.72Å; W473-A527 HydrophobicContact CH2-CB 4.35Å; W473-A527 HydrophobicContact CZ3-CB 3.69Å; W473-I528 HydrophobicContact CH2-CB 3.83Å; W473-I528 HydrophobicContact CH2-CD1 4.01Å; W473-I528 HydrophobicContact CH2-CG1 4.48Å; W473-I528 HydrophobicContact CZ2-CB 4.2Å; W473-I528 HydrophobicContact CZ2-CD1 3.66Å; W473-E531 VanDerWaalsContact CD1-OE1 3.25Å; W473-E531 VanDerWaalsContact CD1-OE2 3.28Å; W473-E531 HydrophobicContact CD2-CG 4.18Å; W473-E531 HydrophobicContact CG-CG 4.14Å; W473-E531 HydrophobicContact CZ2-CB 4.45Å; W473-E531 HydrophobicContact CZ2-CG 4.24Å; W473-E531 PolarHBondContact N-OE1 2.99Å; W473-E531 VanDerWaalsContact NE1-CD 3.28Å; W473-E531 PolarHBondContact NE1-OE2 3.36Å |
| 474 | D | 87.2 | Confident | 80.7 | Confident | 135 Ų | 135 | 52.3 Ų | 52.3 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -71.6 | -19.1 | 177.7 | -71.2 | -19 | 0 | 0 | 0 | 113.1 | T472 I476 | T472-D474 PolarHBondContact O-N 3.01Å; D474-I476 VanDerWaalsContact C-N 3.25Å |
| 475 | D | 85.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -82.8 | -6.6 | 174.8 | -59.5 | -47.9 | 0 | 0 | 0 | 112.3 | V471 T472 W473 R659 | V471-D475 HydrophobicContact CG1-CB 3.86Å; T472-D475 PolarHBondContact N-OD2 2.82Å; T472-D475 WeakPolarHBondContact O-CB 3.44Å; T472-D475 PolarHBondContact O-N 3Å; T472-D475 VanDerWaalsContact O-N 3.08Å; T472-D475 PolarHBondContact OG1-OD2 2.67Å; W473-D475 PolarHBondContact O-N 2.64Å; D475-R659 IonicContact OD1-CZ 3.61Å; D475-R659 VanDerWaalsContact OD1-CZ 3.29Å; D475-R659 IonicContact OD1-NH1 2.71Å; D475-R659 PolarHBondContact OD1-NH1 3.34Å; D475-R659 IonicContact OD1-NH2 3.43Å; D475-R659 PolarHBondContact OD1-NH2 3.16Å |
| 476 | I | 86.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -113.3 | 107.3 | -179.5 | -56.6 | -175.6 | 0 | 0 | 0 | 109.3 | W473 D474 G478 L479 K483 L523 L524 A527 | W473-I476 HydrophobicContact CE3-CD1 4.16Å; W473-I476 HydrophobicContact CZ3-CD1 4.2Å; W473-I476 PolarHBondContact O-N 2.82Å; D474-I476 VanDerWaalsContact C-N 3.25Å; I476-G478 PolarHBondContact O-N 2.89Å; I476-L479 HydrophobicContact CG2-CD1 4.36Å; I476-K483 WeakPolarHBondContact O-CE 3.42Å; I476-K483 PolarHBondContact O-NZ 2.91Å; I476-L523 HydrophobicContact CD1-CB 4.5Å; I476-L524 VanDerWaalsContact CD1-CA 3.43Å; I476-L524 HydrophobicContact CD1-CB 4.14Å; I476-L524 HydrophobicContact CD1-CD1 3.77Å; I476-L524 HydrophobicContact CG2-CD1 4.31Å; I476-A527 HydrophobicContact CD1-CB 3.45Å; I476-A527 VanDerWaalsContact CD1-CB 3.45Å; I476-A527 HydrophobicContact CG1-CB 4.38Å |
| 477 | G | 81.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -75.4 | 116.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 478 | G | 86.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 79.4 | -147 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | I476 E480 K483 S649 | I476-G478 PolarHBondContact O-N 2.89Å; G478-E480 PolarHBondContact O-N 3.35Å; G478-K483 WeakPolarHBondContact O-CE 3.39Å; G478-K483 PolarHBondContact O-NZ 3.41Å; G478-S649 WeakPolarHBondContact CA-OG 3.11Å |
| 479 | L | 88.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | trans | 57.7 | 31.6 | -176.9 | -60.8 | 174.1 | 0 | 0 | 0 | 113.7 | I476 N481 V482 K483 I642 P643 | I476-L479 HydrophobicContact CG2-CD1 4.36Å; L479-N481 PolarHBondContact O-N 3.37Å; L479-N481 VanDerWaalsContact O-N 3.12Å; L479-V482 HydrophobicContact CB-CB 4.17Å; L479-V482 HydrophobicContact CD2-CG2 4.43Å; L479-V482 WeakPolarHBondContact O-CA 3.26Å; L479-V482 WeakPolarHBondContact O-CB 3.31Å; L479-V482 PolarHBondContact O-N 2.98Å; L479-K483 PolarHBondContact O-N 2.99Å; L479-I642 HydrophobicContact CD1-CG2 3.88Å; L479-I642 HydrophobicContact CD2-CG2 4.28Å; L479-P643 HydrophobicContact CD2-CG 4.16Å | ||
| 480 | E | 89.6 | Confident | 87.5 | Confident | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.9 | -34.4 | -172.7 | -58.5 | -51.9 | 137.3 | 0 | 0 | 113.8 | G478 K483 R484 | G478-E480 PolarHBondContact O-N 3.35Å; E480-K483 IonicContact OE1-NZ 3.01Å; E480-K483 PolarHBondContact OE1-NZ 3.31Å; E480-R484 WeakPolarHBondContact O-CB 3.27Å; E480-R484 PolarHBondContact O-N 2.97Å; E480-R484 VanDerWaalsContact O-N 3.12Å |
| 481 | N | 88.1 | Confident | 87.7 | Confident | 107 Ų | 107 | 45.9 Ų | 45.9 | 57% | 0.572 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.9 | -40.1 | 174.9 | -68.1 | -28.1 | 0 | 0 | 0 | 112.3 | L479 R484 E485 | L479-N481 PolarHBondContact O-N 3.37Å; L479-N481 VanDerWaalsContact O-N 3.12Å; N481-R484 PolarHBondContact OD1-NH1 2.93Å; N481-R484 PolarHBondContact OD1-NH2 3.28Å; N481-E485 WeakPolarHBondContact O-CB 3.42Å; N481-E485 PolarHBondContact O-N 2.96Å |
| 482 | V | 90.6 | Very high | 87.7 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | 179 | 172 | 0 | 0 | 0 | 0 | 110.9 | L479 R484 E485 L486 L524 I640 | L479-V482 HydrophobicContact CB-CB 4.17Å; L479-V482 HydrophobicContact CD2-CG2 4.43Å; L479-V482 WeakPolarHBondContact O-CA 3.26Å; L479-V482 WeakPolarHBondContact O-CB 3.31Å; L479-V482 PolarHBondContact O-N 2.98Å; V482-R484 VanDerWaalsContact C-N 3.33Å; V482-R484 PolarHBondContact O-N 3.49Å; V482-E485 PolarHBondContact O-N 3.29Å; V482-L486 HydrophobicContact CG1-CD1 4.36Å; V482-L486 WeakPolarHBondContact O-CG 3.38Å; V482-L486 PolarHBondContact O-N 3.16Å; V482-L524 HydrophobicContact CG1-CD1 4.46Å; V482-L524 HydrophobicContact CG1-CD2 3.56Å; V482-I640 HydrophobicContact CB-CG2 4.33Å; V482-I640 HydrophobicContact CG1-CG2 3.59Å; V482-I640 HydrophobicContact CG2-CG2 3.93Å |
| 483 | K | 92 | Very high | 87.3 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.1 | -48.3 | 174.3 | -68.7 | -178.7 | -179.8 | 168.1 | 0 | 110.9 | W473 I476 G478 L479 E480 L486 Q487 | W473-K483 HydrophobicContact CB-CD 4.49Å; W473-K483 HydrophobicContact CD2-CD 4.21Å; W473-K483 HydrophobicContact CD2-CG 4.3Å; W473-K483 HydrophobicContact CE3-CB 4.35Å; W473-K483 HydrophobicContact CE3-CD 3.85Å; W473-K483 HydrophobicContact CE3-CG 3.69Å; W473-K483 HydrophobicContact CG-CD 4.5Å; W473-K483 HydrophobicContact CZ3-CB 4.37Å; W473-K483 HydrophobicContact CZ3-CG 3.85Å; W473-K483 PolarHBondContact O-NZ 2.95Å; W473-K483 VanDerWaalsContact O-NZ 3.11Å; I476-K483 WeakPolarHBondContact O-CE 3.42Å; I476-K483 PolarHBondContact O-NZ 2.91Å; G478-K483 WeakPolarHBondContact O-CE 3.39Å; G478-K483 PolarHBondContact O-NZ 3.41Å; L479-K483 PolarHBondContact O-N 2.99Å; E480-K483 IonicContact OE1-NZ 3.01Å; E480-K483 PolarHBondContact OE1-NZ 3.31Å; K483-L486 PolarHBondContact O-N 3.42Å; K483-Q487 WeakPolarHBondContact O-CG 3.35Å; K483-Q487 PolarHBondContact O-N 2.95Å |
| 484 | R | 91.2 | Very high | 86.7 | Confident | 114 Ų | 114 | 51 Ų | 51 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.2 | -176.3 | 176.5 | 63.4 | -104.1 | -0.5 | 112.1 | E480 N481 V482 L486 Q487 E488 | E480-R484 WeakPolarHBondContact O-CB 3.27Å; E480-R484 PolarHBondContact O-N 2.97Å; E480-R484 VanDerWaalsContact O-N 3.12Å; N481-R484 PolarHBondContact OD1-NH1 2.93Å; N481-R484 PolarHBondContact OD1-NH2 3.28Å; V482-R484 VanDerWaalsContact C-N 3.33Å; V482-R484 PolarHBondContact O-N 3.49Å; R484-L486 VanDerWaalsContact C-N 3.28Å; R484-L486 PolarHBondContact O-N 3.11Å; R484-Q487 WeakPolarHBondContact O-CB 3.46Å; R484-Q487 PolarHBondContact O-N 2.84Å; R484-E488 WeakPolarHBondContact O-CG 3.29Å; R484-E488 PolarHBondContact O-N 3.18Å |
| 485 | E | 90.4 | Very high | 86.4 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 176.9 | -173 | 175.9 | -174.5 | 0 | 0 | 111.6 | N481 V482 E488 L489 I640 | N481-E485 WeakPolarHBondContact O-CB 3.42Å; N481-E485 PolarHBondContact O-N 2.96Å; V482-E485 PolarHBondContact O-N 3.29Å; E485-E488 PolarHBondContact O-N 3.16Å; E485-L489 HydrophobicContact CG-CD1 4.13Å; E485-L489 WeakPolarHBondContact O-CB 3.15Å; E485-L489 WeakPolarHBondContact O-CG 3.42Å; E485-L489 PolarHBondContact O-N 3.34Å; E485-I640 HydrophobicContact CB-CD1 4.45Å; E485-I640 HydrophobicContact CG-CD1 3.94Å |
| 486 | L | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.4 | -76.5 | 176.7 | 0 | 0 | 0 | 113.9 | W473 V482 K483 R484 E488 L489 V490 V511 F513 L524 I528 I640 | W473-L486 HydrophobicContact CH2-CB 4.47Å; W473-L486 HydrophobicContact CH2-CD1 4.32Å; V482-L486 HydrophobicContact CG1-CD1 4.36Å; V482-L486 WeakPolarHBondContact O-CG 3.38Å; V482-L486 PolarHBondContact O-N 3.16Å; K483-L486 PolarHBondContact O-N 3.42Å; R484-L486 VanDerWaalsContact C-N 3.28Å; R484-L486 PolarHBondContact O-N 3.11Å; L486-E488 VanDerWaalsContact C-N 3.31Å; L486-E488 PolarHBondContact O-N 3.01Å; L486-L489 PolarHBondContact O-N 3.39Å; L486-V490 WeakPolarHBondContact O-CB 3.37Å; L486-V490 WeakPolarHBondContact O-CG2 3.2Å; L486-V490 PolarHBondContact O-N 3.48Å; L486-V511 HydrophobicContact CD2-CG1 4.27Å; L486-F513 HydrophobicContact CD1-CE1 4.19Å; L486-F513 HydrophobicContact CD1-CZ 3.7Å; L486-F513 HydrophobicContact CD2-CE1 3.85Å; L486-F513 HydrophobicContact CD2-CZ 3.81Å; L486-F513 HydrophobicContact CG-CE1 4.45Å; L486-F513 HydrophobicContact CG-CZ 4.33Å; L486-L524 HydrophobicContact CD1-CD1 4.13Å; L486-L524 HydrophobicContact CD1-CD2 3.56Å; L486-L524 HydrophobicContact CD1-CG 3.58Å; L486-I528 HydrophobicContact CB-CD1 4.04Å; L486-I528 HydrophobicContact CB-CG1 4.26Å; L486-I640 HydrophobicContact CD2-CD1 4Å; L486-I640 HydrophobicContact CG-CD1 4.2Å |
| 487 | Q | 88.6 | Confident | 86 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -59.7 | -44.2 | 173.2 | -71.6 | 174.5 | -20.1 | 0 | 0 | 110.7 | W473 K483 R484 L489 Q491 Y492 | W473-Q487 HydrophobicContact CZ2-CG 4.27Å; K483-Q487 WeakPolarHBondContact O-CG 3.35Å; K483-Q487 PolarHBondContact O-N 2.95Å; R484-Q487 WeakPolarHBondContact O-CB 3.46Å; R484-Q487 PolarHBondContact O-N 2.84Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; Q487-L489 PolarHBondContact O-N 2.77Å; Q487-Q491 WeakPolarHBondContact O-CA 3.4Å; Q487-Q491 VanDerWaalsContact O-CB 3.26Å; Q487-Q491 WeakPolarHBondContact O-CB 3.49Å; Q487-Q491 PolarHBondContact O-N 2.86Å; Q487-Y492 HydrophobicContact CB-CE1 4.49Å; Q487-Y492 PolarHBondContact O-N 2.74Å |
| 488 | E | 88.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -63.3 | -36.4 | 177.2 | -72.1 | 173.1 | -164.3 | 0 | 0 | 112.9 | R484 E485 L486 Y492 | R484-E488 WeakPolarHBondContact O-CG 3.29Å; R484-E488 PolarHBondContact O-N 3.18Å; E485-E488 PolarHBondContact O-N 3.16Å; L486-E488 VanDerWaalsContact C-N 3.31Å; L486-E488 PolarHBondContact O-N 3.01Å; E488-Y492 HydrophobicContact CB-CD2 4.2Å; E488-Y492 HydrophobicContact CB-CE2 4.35Å; E488-Y492 HydrophobicContact CG-CD2 3.87Å; E488-Y492 HydrophobicContact CG-CE2 3.54Å |
| 489 | L | 85.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -81 | -35.7 | -177.9 | -70.5 | 173.1 | 0 | 0 | 0 | 114.1 | E485 L486 Q487 P493 Q638 I640 | E485-L489 HydrophobicContact CG-CD1 4.13Å; E485-L489 WeakPolarHBondContact O-CB 3.15Å; E485-L489 WeakPolarHBondContact O-CG 3.42Å; E485-L489 PolarHBondContact O-N 3.34Å; L486-L489 PolarHBondContact O-N 3.39Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; Q487-L489 PolarHBondContact O-N 2.77Å; L489-P493 WeakPolarHBondContact O-CG 3.45Å; L489-Q638 HydrophobicContact CD1-CB 4.02Å; L489-Q638 HydrophobicContact CD1-CG 3.81Å; L489-Q638 HydrophobicContact CD2-CG 3.8Å; L489-Q638 HydrophobicContact CG-CG 4.47Å; L489-I640 HydrophobicContact CD1-CD1 4.31Å |
| 490 | V | 83.2 | Confident | 86 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -110.9 | -49.4 | -171.2 | -169.8 | 0 | 0 | 0 | 0 | 112 | L486 V494 I528 F615 | L486-V490 WeakPolarHBondContact O-CB 3.37Å; L486-V490 WeakPolarHBondContact O-CG2 3.2Å; L486-V490 PolarHBondContact O-N 3.48Å; V490-V494 WeakPolarHBondContact O-CG2 3.42Å; V490-I528 HydrophobicContact CB-CD1 4.15Å; V490-I528 HydrophobicContact CB-CG1 3.95Å; V490-I528 HydrophobicContact CG1-CG1 4.23Å; V490-I528 HydrophobicContact CG2-CD1 4.48Å; V490-I528 HydrophobicContact CG2-CG1 3.95Å; V490-F615 HydrophobicContact CG1-CB 4.42Å; V490-F615 HydrophobicContact CG1-CD1 4.27Å; V490-F615 HydrophobicContact CG1-CG 4.19Å; V490-F615 HydrophobicContact CG2-CD1 3.56Å; V490-F615 HydrophobicContact CG2-CD2 4.1Å; V490-F615 HydrophobicContact CG2-CE1 3.27Å; V490-F615 HydrophobicContact CG2-CE2 3.86Å; V490-F615 HydrophobicContact CG2-CG 3.96Å; V490-F615 HydrophobicContact CG2-CZ 3.45Å; V490-F615 VanDerWaalsContact CG2-CZ 3.45Å |
| 491 | Q | 83 | Confident | 85.5 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -76.4 | -47.9 | -172.9 | -174.2 | 174.8 | 19.6 | 0 | 0 | 111.5 | Q487 V494 E495 | Q487-Q491 WeakPolarHBondContact O-CA 3.4Å; Q487-Q491 VanDerWaalsContact O-CB 3.26Å; Q487-Q491 WeakPolarHBondContact O-CB 3.49Å; Q487-Q491 PolarHBondContact O-N 2.86Å; Q491-V494 PolarHBondContact O-N 3.39Å; Q491-V494 VanDerWaalsContact O-N 3.11Å; Q491-E495 VanDerWaalsContact CG-CD 3.44Å; Q491-E495 HydrophobicContact CG-CG 4.12Å; Q491-E495 VanDerWaalsContact CG-OE1 3.27Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.45Å; Q491-E495 PolarHBondContact NE2-OE1 3.2Å; Q491-E495 PolarHBondContact O-N 2.81Å |
| 492 | Y | 86.7 | Confident | 85.5 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -39 | -175.1 | -69.3 | 3.6 | 0 | 0 | 0 | 114.5 | Q487 E488 V494 E495 H496 | Q487-Y492 HydrophobicContact CB-CE1 4.49Å; Q487-Y492 PolarHBondContact O-N 2.74Å; E488-Y492 HydrophobicContact CB-CD2 4.2Å; E488-Y492 HydrophobicContact CB-CE2 4.35Å; E488-Y492 HydrophobicContact CG-CD2 3.87Å; E488-Y492 HydrophobicContact CG-CE2 3.54Å; Y492-V494 PolarHBondContact O-N 3.44Å; Y492-E495 PolarHBondContact O-N 2.93Å; Y492-H496 WeakPolarHBondContact O-CA 3.19Å; Y492-H496 WeakPolarHBondContact O-CB 3.4Å; Y492-H496 PolarHBondContact O-N 2.93Å |
| 493 | P | 81.3 | Confident | 85.3 | Confident | 21 Ų | 21 | 74 Ų | 74 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 174.8 | -23.3 | 32.8 | 0 | 0 | 0 | 113.9 | L489 F500 P507 | L489-P493 WeakPolarHBondContact O-CG 3.45Å; P493-F500 HydrophobicContact CB-CD2 4.38Å; P493-F500 HydrophobicContact CB-CE2 4.13Å; P493-F500 HydrophobicContact CB-CZ 4.23Å; P493-F500 HydrophobicContact CG-CE1 4.03Å; P493-F500 HydrophobicContact CG-CE2 3.93Å; P493-F500 HydrophobicContact CG-CZ 3.61Å; P493-P507 HydrophobicContact CB-CB 3.78Å; P493-P507 HydrophobicContact CB-CG 4.44Å; P493-P507 HydrophobicContact CG-CB 3.98Å |
| 494 | V | 76.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.1 | -42.6 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | V490 Q491 Y492 | V490-V494 WeakPolarHBondContact O-CG2 3.42Å; Q491-V494 PolarHBondContact O-N 3.39Å; Q491-V494 VanDerWaalsContact O-N 3.11Å; Y492-V494 PolarHBondContact O-N 3.44Å |
| 495 | E | 80 | Confident | 84.4 | Confident | 102 Ų | 102 | 76.4 Ų | 76.4 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -81.7 | -25.2 | -178.1 | -68.6 | -178.4 | 175.3 | 0 | 0 | 114 | Q491 Y492 P497 | Q491-E495 VanDerWaalsContact CG-CD 3.44Å; Q491-E495 HydrophobicContact CG-CG 4.12Å; Q491-E495 VanDerWaalsContact CG-OE1 3.27Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.45Å; Q491-E495 PolarHBondContact NE2-OE1 3.2Å; Q491-E495 PolarHBondContact O-N 2.81Å; Y492-E495 PolarHBondContact O-N 2.93Å; E495-P497 VanDerWaalsContact C-CD 3.47Å |
| 496 | H | 83 | Confident | 83.7 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 29% | 0.292 | 41% | 0.408 | S | S | . | . | trans | -133.8 | 52.1 | -174 | -57 | -44.1 | 0 | 0 | 0 | 114 | Y492 D498 K499 F500 | Y492-H496 WeakPolarHBondContact O-CA 3.19Å; Y492-H496 WeakPolarHBondContact O-CB 3.4Å; Y492-H496 PolarHBondContact O-N 2.93Å; H496-D498 PolarHBondContact O-N 2.84Å; H496-K499 HydrophobicContact CB-CB 4.34Å; H496-K499 HydrophobicContact CB-CD 3.85Å; H496-K499 HydrophobicContact CB-CG 4.13Å; H496-K499 PolarHBondContact CD2-NZ 3.48Å; H496-K499 PolarHBondContact NE2-NZ 3.06Å; H496-K499 PolarHBondContact O-N 3.44Å; H496-K499 VanDerWaalsContact O-N 3.13Å; H496-F500 WeakPolarHBondContact O-CD2 3.34Å | ||
| 497 | P | 81 | Confident | 83.1 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | -175.9 | 26.3 | -35.5 | 0 | 0 | 0 | 113.3 | E495 K499 F500 L501 | E495-P497 VanDerWaalsContact C-CD 3.47Å; P497-K499 VanDerWaalsContact C-N 3.34Å; P497-K499 PolarHBondContact O-N 3.22Å; P497-F500 PolarHBondContact O-N 3.24Å; P497-L501 WeakPolarHBondContact O-CB 3.46Å; P497-L501 PolarHBondContact O-N 3.37Å |
| 498 | D | 84.9 | Confident | 82.7 | Confident | 104 Ų | 104 | 80.1 Ų | 80.1 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 177.1 | 65.1 | -57.2 | 0 | 0 | 0 | 112.5 | H496 K502 | H496-D498 PolarHBondContact O-N 2.84Å; D498-K502 WeakPolarHBondContact O-CB 3.46Å; D498-K502 PolarHBondContact O-N 3.33Å |
| 499 | K | 87 | Confident | 82.3 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 177.1 | -63.3 | -177.5 | -170.2 | 161.1 | 0 | 110.5 | H496 P497 L501 K502 F503 | H496-K499 HydrophobicContact CB-CB 4.34Å; H496-K499 HydrophobicContact CB-CD 3.85Å; H496-K499 HydrophobicContact CB-CG 4.13Å; H496-K499 PolarHBondContact CD2-NZ 3.48Å; H496-K499 PolarHBondContact NE2-NZ 3.06Å; H496-K499 PolarHBondContact O-N 3.44Å; H496-K499 VanDerWaalsContact O-N 3.13Å; P497-K499 VanDerWaalsContact C-N 3.34Å; P497-K499 PolarHBondContact O-N 3.22Å; K499-L501 VanDerWaalsContact C-N 3.34Å; K499-L501 PolarHBondContact O-N 3.4Å; K499-K502 WeakPolarHBondContact O-CB 3.02Å; K499-K502 PolarHBondContact O-N 3.24Å; K499-F503 WeakPolarHBondContact O-CD2 3.43Å; K499-F503 PolarHBondContact O-N 3.32Å; K499-F503 VanDerWaalsContact O-N 3.15Å |
| 500 | F | 83.7 | Confident | 82.5 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.3 | -77.8 | -97 | 0 | 0 | 0 | 111.5 | P493 H496 P497 K502 F503 G504 M505 | P493-F500 HydrophobicContact CB-CD2 4.38Å; P493-F500 HydrophobicContact CB-CE2 4.13Å; P493-F500 HydrophobicContact CB-CZ 4.23Å; P493-F500 HydrophobicContact CG-CE1 4.03Å; P493-F500 HydrophobicContact CG-CE2 3.93Å; P493-F500 HydrophobicContact CG-CZ 3.61Å; H496-F500 WeakPolarHBondContact O-CD2 3.34Å; P497-F500 PolarHBondContact O-N 3.24Å; F500-K502 PolarHBondContact O-N 3.33Å; F500-F503 CarbonylContact O-C 3.59Å; F500-F503 PolarHBondContact O-N 3.39Å; F500-G504 PolarHBondContact O-N 2.89Å; F500-G504 VanDerWaalsContact O-N 3.08Å; F500-M505 HydrophobicContact CD1-CB 3.92Å; F500-M505 PolarHBondContact O-N 2.93Å |
| 501 | L | 81.1 | Confident | 83 | Confident | 142 Ų | 142 | 76.6 Ų | 76.6 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 176 | -174 | 66.4 | 0 | 0 | 0 | 112.1 | P497 K499 F503 G504 | P497-L501 WeakPolarHBondContact O-CB 3.46Å; P497-L501 PolarHBondContact O-N 3.37Å; K499-L501 VanDerWaalsContact C-N 3.34Å; K499-L501 PolarHBondContact O-N 3.4Å; L501-F503 VanDerWaalsContact C-N 3.27Å; L501-F503 PolarHBondContact O-N 3.08Å; L501-G504 PolarHBondContact O-N 3.31Å |
| 502 | K | 86.6 | Confident | 83.5 | Confident | 172 Ų | 172 | 75.2 Ų | 75.2 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.1 | -38.9 | 176.9 | 178 | -175.6 | 175.8 | -176.7 | 0 | 112.2 | D498 K499 F500 G504 | D498-K502 WeakPolarHBondContact O-CB 3.46Å; D498-K502 PolarHBondContact O-N 3.33Å; K499-K502 WeakPolarHBondContact O-CB 3.02Å; K499-K502 PolarHBondContact O-N 3.24Å; F500-K502 PolarHBondContact O-N 3.33Å; K502-G504 VanDerWaalsContact C-N 3.31Å |
| 503 | F | 87.4 | Confident | 83.9 | Confident | 147 Ų | 147 | 71 Ų | 71 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 5.5 | 177.7 | -69.4 | -74.1 | 0 | 0 | 0 | 113.3 | K499 F500 L501 M505 | K499-F503 WeakPolarHBondContact O-CD2 3.43Å; K499-F503 PolarHBondContact O-N 3.32Å; K499-F503 VanDerWaalsContact O-N 3.15Å; F500-F503 CarbonylContact O-C 3.59Å; F500-F503 PolarHBondContact O-N 3.39Å; L501-F503 VanDerWaalsContact C-N 3.27Å; L501-F503 PolarHBondContact O-N 3.08Å; F503-M505 HydrophobicContact CB-CG 4.03Å; F503-M505 HydrophobicContact CB-SD 4.27Å; F503-M505 PolarHBondContact O-N 3.26Å |
| 504 | G | 83.3 | Confident | 84.4 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F500 L501 K502 | F500-G504 PolarHBondContact O-N 2.89Å; F500-G504 VanDerWaalsContact O-N 3.08Å; L501-G504 PolarHBondContact O-N 3.31Å; K502-G504 VanDerWaalsContact C-N 3.31Å |
| 505 | M | 80.1 | Confident | 85.1 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 137.4 | -177 | -68.9 | -175.1 | 66.6 | 0 | 0 | 110.8 | F500 F503 | F500-M505 HydrophobicContact CD1-CB 3.92Å; F500-M505 PolarHBondContact O-N 2.93Å; F503-M505 HydrophobicContact CB-CG 4.03Å; F503-M505 HydrophobicContact CB-SD 4.27Å; F503-M505 PolarHBondContact O-N 3.26Å |
| 506 | T | 76 | Confident | 85.7 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 72% | 0.724 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -96 | 135.7 | 165.4 | 52 | 0 | 0 | 0 | 0 | 109.4 | ||
| 507 | P | 77.3 | Confident | 86 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 151.1 | 175.1 | 21.5 | -29.6 | 0 | 0 | 0 | 111.7 | P493 | P493-P507 HydrophobicContact CB-CB 3.78Å; P493-P507 HydrophobicContact CB-CG 4.44Å; P493-P507 HydrophobicContact CG-CB 3.98Å |
| 508 | S | 79.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 146.3 | 173.9 | 62 | 0 | 0 | 0 | 0 | 110 | ||
| 509 | K | 80.1 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | trans | -89.5 | -20.4 | -177.8 | -74.8 | 179.4 | 159 | -162.5 | 0 | 112.7 | M605 M608 I616 G634 | K509-M605 PolarHBondContact NZ-O 3.44Å; K509-M608 WeakPolarHBondContact CE-O 3.16Å; K509-M608 PolarHBondContact NZ-O 3.44Å; K509-I616 PolarHBondContact O-N 3.26Å; K509-G634 WeakPolarHBondContact CD-O 3.46Å | ||
| 510 | G | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 171.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I616 R635 D637 Q638 | G510-I616 CarbonylContact C-O 3.58Å; G510-I616 WeakPolarHBondContact CA-O 3.36Å; G510-R635 PolarHBondContact N-O 3.33Å; G510-R635 VanDerWaalsContact N-O 3.16Å; G510-D637 PolarHBondContact O-N 3.41Å; G510-Q638 PolarHBondContact O-N 2.99Å |
| 511 | V | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142 | -176.7 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | L486 F513 F615 I616 I617 G618 Q638 I640 | L486-V511 HydrophobicContact CD2-CG1 4.27Å; V511-F513 HydrophobicContact CB-CE1 4.45Å; V511-F513 HydrophobicContact CG1-CD1 4.34Å; V511-F513 HydrophobicContact CG1-CE1 3.71Å; V511-F513 HydrophobicContact CG1-CZ 4.14Å; V511-F513 HydrophobicContact CG2-CD1 4.03Å; V511-F513 HydrophobicContact CG2-CE1 3.81Å; V511-F615 HydrophobicContact CB-CZ 4.23Å; V511-F615 HydrophobicContact CG1-CE1 3.68Å; V511-F615 HydrophobicContact CG1-CZ 3.88Å; V511-I616 PolarHBondContact N-O 3.08Å; V511-I617 HydrophobicContact CG1-CB 4.26Å; V511-I617 HydrophobicContact CG1-CD1 4.5Å; V511-I617 HydrophobicContact CG1-CG1 3.81Å; V511-I617 HydrophobicContact CG1-CG2 4.11Å; V511-I617 CarbonylContact O-C 3.56Å; V511-I617 WeakPolarHBondContact O-CA 3.42Å; V511-G618 PolarHBondContact O-N 2.94Å; V511-Q638 CarbonylContact C-O 3.49Å; V511-Q638 VanDerWaalsContact CA-O 3.27Å; V511-Q638 WeakPolarHBondContact CA-O 3.14Å; V511-Q638 HydrophobicContact CB-CB 3.95Å; V511-Q638 HydrophobicContact CG2-CB 3.79Å; V511-Q638 WeakPolarHBondContact CG2-O 3.44Å; V511-I640 HydrophobicContact CG2-CB 4.17Å; V511-I640 HydrophobicContact CG2-CD1 3.66Å; V511-I640 HydrophobicContact CG2-CG1 3.63Å |
| 512 | L | 93.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.2 | 169.9 | -178.3 | 65.3 | 0 | 0 | 0 | 109.9 | L576 G618 T620 I626 L631 L636 Q638 L639 I640 | L512-L576 HydrophobicContact CD1-CD1 3.84Å; L512-G618 CarbonylContact C-O 3.46Å; L512-G618 WeakPolarHBondContact CA-O 3.04Å; L512-T620 HydrophobicContact CD1-CG2 4.01Å; L512-T620 HydrophobicContact CD2-CG2 4.26Å; L512-T620 HydrophobicContact CG-CG2 4.33Å; L512-I626 HydrophobicContact CD2-CG2 4.5Å; L512-L631 HydrophobicContact CD2-CD2 3.38Å; L512-L636 HydrophobicContact CB-CB 4.1Å; L512-L636 HydrophobicContact CB-CD1 4.06Å; L512-L636 HydrophobicContact CD1-CD1 3.99Å; L512-Q638 PolarHBondContact N-O 3.21Å; L512-L639 HydrophobicContact CB-CD2 4.33Å; L512-L639 HydrophobicContact CD2-CD2 3.97Å; L512-I640 PolarHBondContact O-N 3.17Å |
| 513 | F | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.5 | 165.8 | -61.1 | -17.8 | 0 | 0 | 0 | 110 | L486 V511 K521 L524 A525 I617 G618 A619 T620 I640 I642 | L486-F513 HydrophobicContact CD1-CE1 4.19Å; L486-F513 HydrophobicContact CD1-CZ 3.7Å; L486-F513 HydrophobicContact CD2-CE1 3.85Å; L486-F513 HydrophobicContact CD2-CZ 3.81Å; L486-F513 HydrophobicContact CG-CE1 4.45Å; L486-F513 HydrophobicContact CG-CZ 4.33Å; V511-F513 HydrophobicContact CB-CE1 4.45Å; V511-F513 HydrophobicContact CG1-CD1 4.34Å; V511-F513 HydrophobicContact CG1-CE1 3.71Å; V511-F513 HydrophobicContact CG1-CZ 4.14Å; V511-F513 HydrophobicContact CG2-CD1 4.03Å; V511-F513 HydrophobicContact CG2-CE1 3.81Å; F513-K521 HydrophobicContact CB-CB 4.46Å; F513-K521 HydrophobicContact CB-CD 4.05Å; F513-K521 HydrophobicContact CB-CG 4.02Å; F513-K521 HydrophobicContact CD2-CB 4.46Å; F513-L524 HydrophobicContact CD2-CD2 4.37Å; F513-L524 HydrophobicContact CE1-CD2 4.21Å; F513-L524 HydrophobicContact CE2-CB 4.23Å; F513-L524 HydrophobicContact CE2-CD2 3.83Å; F513-L524 HydrophobicContact CE2-CG 4.26Å; F513-L524 HydrophobicContact CZ-CD2 3.76Å; F513-L524 HydrophobicContact CZ-CG 4.34Å; F513-A525 HydrophobicContact CE2-CB 4.17Å; F513-I617 HydrophobicContact CD2-CG2 3.63Å; F513-I617 HydrophobicContact CE1-CG2 4.32Å; F513-I617 HydrophobicContact CE2-CD1 4.38Å; F513-I617 HydrophobicContact CE2-CG2 3.4Å; F513-I617 VanDerWaalsContact CE2-CG2 3.4Å; F513-I617 HydrophobicContact CG-CG2 4.18Å; F513-I617 HydrophobicContact CZ-CD1 4.24Å; F513-I617 HydrophobicContact CZ-CG2 3.76Å; F513-G618 PolarHBondContact N-O 2.88Å; F513-A619 HydrophobicContact CB-CB 4.48Å; F513-A619 WeakPolarHBondContact O-CA 3.32Å; F513-T620 PolarHBondContact O-N 3.4Å; F513-I640 WeakPolarHBondContact CA-O 3.11Å; F513-I640 HydrophobicContact CD1-CB 4.02Å; F513-I640 HydrophobicContact CD1-CG2 4.39Å; F513-I640 HydrophobicContact CE1-CB 4.31Å; F513-I640 HydrophobicContact CE1-CD1 4.22Å; F513-I642 HydrophobicContact CB-CD1 4.17Å; F513-I642 HydrophobicContact CB-CG1 4.49Å; F513-I642 HydrophobicContact CD2-CD1 4.24Å; F513-I642 HydrophobicContact CG-CD1 4.08Å |
| 514 | Y | 92.9 | Very high | 88 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.6 | 173.1 | 70.5 | -83.7 | 0 | 0 | 0 | 111 | T620 P623 L639 I640 Y641 I642 F754 A755 L758 | Y514-T620 WeakPolarHBondContact CA-O 3.29Å; Y514-P623 HydrophobicContact CD2-CB 4.32Å; Y514-P623 HydrophobicContact CD2-CG 4.06Å; Y514-P623 HydrophobicContact CG-CB 4.25Å; Y514-P623 HydrophobicContact CG-CG 4.42Å; Y514-L639 HydrophobicContact CD1-CD2 4.34Å; Y514-L639 HydrophobicContact CE1-CB 4.03Å; Y514-L639 HydrophobicContact CE1-CD2 4.33Å; Y514-I640 WeakPolarHBondContact CD1-O 3.47Å; Y514-I640 PolarHBondContact N-O 3.02Å; Y514-I640 VanDerWaalsContact N-O 3.08Å; Y514-Y641 AromaticContact CD2-CD2 3.87Å; Y514-Y641 HydrophobicContact CD2-CD2 3.87Å; Y514-Y641 AromaticContact CE2-CD2 3.59Å; Y514-Y641 HydrophobicContact CE2-CD2 3.59Å; Y514-Y641 AromaticContact CE2-CG 3.99Å; Y514-Y641 HydrophobicContact CE2-CG 3.99Å; Y514-Y641 WeakPolarHBondContact O-CA 3.41Å; Y514-Y641 WeakPolarHBondContact O-CD2 3.43Å; Y514-I642 PolarHBondContact O-N 2.71Å; Y514-F754 AromaticContact CD2-CD1 3.92Å; Y514-F754 HydrophobicContact CD2-CD1 3.92Å; Y514-F754 HydrophobicContact CD2-CE1 4.1Å; Y514-F754 AromaticContact CE2-CD1 3.66Å; Y514-F754 HydrophobicContact CE2-CD1 3.66Å; Y514-F754 HydrophobicContact CE2-CE1 4.05Å; Y514-A755 HydrophobicContact CE2-CB 4.22Å; Y514-A755 WeakPolarHBondContact OH-CA 3.46Å; Y514-A755 WeakPolarHBondContact OH-CB 3.44Å; Y514-L758 HydrophobicContact CE1-CD1 4.29Å |
| 515 | G | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 148.7 | 179.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K521 N621 Y751 | G515-K521 PolarHBondContact O-NZ 3.28Å; G515-N621 PolarHBondContact O-OD1 3.44Å; G515-Y751 VanDerWaalsContact C-CE1 3.47Å |
| 516 | P | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -53.9 | 150.8 | -178.3 | 15.5 | -27.6 | 0 | 0 | 0 | 113.9 | K521 I642 L644 V743 Y751 | P516-K521 PolarHBondContact O-NZ 3.24Å; P516-I642 WeakPolarHBondContact CD-O 3.46Å; P516-L644 HydrophobicContact CG-CD2 4.44Å; P516-L644 HydrophobicContact CG-CG 4.16Å; P516-V743 HydrophobicContact CB-CG1 3.91Å; P516-V743 HydrophobicContact CB-CG2 3.83Å; P516-Y751 HydrophobicContact CB-CD2 4.28Å; P516-Y751 HydrophobicContact CB-CE2 3.91Å; P516-Y751 HydrophobicContact CG-CD2 4.36Å; P516-Y751 HydrophobicContact CG-CE2 4.45Å | ||
| 517 | P | 90 | Very high | 89.6 | Confident | 56 Ų | 56 | 22 Ų | 22 | 36% | 0.364 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 155.3 | 174 | 28.5 | -34.9 | 0 | 0 | 0 | 111 | C519 N621 V743 | P517-C519 VanDerWaalsContact C-N 3.29Å; P517-C519 PolarHBondContact O-N 2.9Å; P517-N621 WeakPolarHBondContact CA-OD1 3.38Å; P517-V743 HydrophobicContact CG-CG2 4.39Å |
| 518 | G | 88 | Confident | 90.2 | Very high | 33 Ų | 33 | 19.3 Ų | 19.3 | 34% | 0.34 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 10.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116 | G681 A682 | G518-G681 CarbonylContact O-C 3.56Å; G518-G681 WeakPolarHBondContact O-CA 3.31Å; G518-G681 PolarHBondContact O-N 2.98Å; G518-A682 PolarHBondContact O-N 3.38Å |
| 519 | C | 89.9 | Confident | 90.6 | Very high | 13 Ų | 13 | 18.2 Ų | 18.2 | 9% | 0.088 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -99.1 | 16.2 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | P517 I642 | P517-C519 VanDerWaalsContact C-N 3.29Å; P517-C519 PolarHBondContact O-N 2.9Å; C519-I642 HydrophobicContact CB-CG2 3.96Å; C519-I642 WeakPolarHBondContact O-CG2 3.38Å |
| 520 | G | 89.1 | Confident | 90.9 | Very high | 25 Ų | 25 | 16.9 Ų | 16.9 | 26% | 0.258 | 11% | 0.106 | S | C | . | . | S | Bend | trans | 85.7 | 19 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T522 L523 L524 | G520-T522 PolarHBondContact O-N 2.79Å; G520-L523 PolarHBondContact O-N 2.98Å; G520-L523 VanDerWaalsContact O-N 3.15Å; G520-L524 WeakPolarHBondContact O-CB 3.47Å; G520-L524 PolarHBondContact O-N 2.95Å |
| 521 | K | 92.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 20 Ų | 20 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -49.6 | -51.9 | 175.8 | -73.1 | -175.5 | -73.7 | -81.8 | 0 | 113 | F513 G515 P516 L524 A525 A619 N621 I642 | F513-K521 HydrophobicContact CB-CB 4.46Å; F513-K521 HydrophobicContact CB-CD 4.05Å; F513-K521 HydrophobicContact CB-CG 4.02Å; F513-K521 HydrophobicContact CD2-CB 4.46Å; G515-K521 PolarHBondContact O-NZ 3.28Å; P516-K521 PolarHBondContact O-NZ 3.24Å; K521-L524 PolarHBondContact O-N 2.67Å; K521-A525 PolarHBondContact O-N 3.41Å; K521-A525 VanDerWaalsContact O-N 3.13Å; K521-A619 HydrophobicContact CB-CB 4.2Å; K521-A619 HydrophobicContact CD-CB 4.1Å; K521-N621 WeakPolarHBondContact CE-OD1 3.22Å; K521-N621 PolarHBondContact NZ-OD1 2.86Å; K521-I642 HydrophobicContact CB-CD1 4.37Å; K521-I642 HydrophobicContact CG-CD1 3.71Å; K521-I642 HydrophobicContact CG-CG1 4.33Å |
| 522 | T | 88.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 21.2 Ų | 21.2 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 179.1 | -42.5 | 0 | 0 | 0 | 0 | 112 | G520 A525 K526 F572 D574 | G520-T522 PolarHBondContact O-N 2.79Å; T522-A525 PolarHBondContact O-N 2.87Å; T522-K526 WeakPolarHBondContact O-CG 3.4Å; T522-K526 PolarHBondContact O-N 2.76Å; T522-K526 VanDerWaalsContact O-N 3.09Å; T522-F572 HydrophobicContact CG2-CD1 4.39Å; T522-F572 HydrophobicContact CG2-CE1 3.68Å; T522-F572 HydrophobicContact CG2-CZ 4.33Å; T522-D574 PolarHBondContact OG1-OD2 3.37Å |
| 523 | L | 90.3 | Very high | 89.3 | Confident | 85 Ų | 85 | 26.2 Ų | 26.2 | 45% | 0.445 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 176 | -74.4 | 177.1 | 0 | 0 | 0 | 111.7 | V471 I476 G520 K526 A527 | V471-L523 HydrophobicContact CG1-CD2 4.3Å; V471-L523 HydrophobicContact CG2-CD2 4.26Å; I476-L523 HydrophobicContact CD1-CB 4.5Å; G520-L523 PolarHBondContact O-N 2.98Å; G520-L523 VanDerWaalsContact O-N 3.15Å; L523-K526 PolarHBondContact O-N 3.13Å; L523-A527 PolarHBondContact O-N 2.76Å |
| 524 | L | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.6 | -166.2 | 78 | 0 | 0 | 0 | 112.1 | W473 I476 V482 L486 F513 G520 K521 K526 A527 I528 I642 | W473-L524 HydrophobicContact CZ3-CD1 3.75Å; I476-L524 VanDerWaalsContact CD1-CA 3.43Å; I476-L524 HydrophobicContact CD1-CB 4.14Å; I476-L524 HydrophobicContact CD1-CD1 3.77Å; I476-L524 HydrophobicContact CG2-CD1 4.31Å; V482-L524 HydrophobicContact CG1-CD1 4.46Å; V482-L524 HydrophobicContact CG1-CD2 3.56Å; L486-L524 HydrophobicContact CD1-CD1 4.13Å; L486-L524 HydrophobicContact CD1-CD2 3.56Å; L486-L524 HydrophobicContact CD1-CG 3.58Å; F513-L524 HydrophobicContact CD2-CD2 4.37Å; F513-L524 HydrophobicContact CE1-CD2 4.21Å; F513-L524 HydrophobicContact CE2-CB 4.23Å; F513-L524 HydrophobicContact CE2-CD2 3.83Å; F513-L524 HydrophobicContact CE2-CG 4.26Å; F513-L524 HydrophobicContact CZ-CD2 3.76Å; F513-L524 HydrophobicContact CZ-CG 4.34Å; G520-L524 WeakPolarHBondContact O-CB 3.47Å; G520-L524 PolarHBondContact O-N 2.95Å; K521-L524 PolarHBondContact O-N 2.67Å; L524-K526 VanDerWaalsContact C-N 3.35Å; L524-A527 PolarHBondContact O-N 3.11Å; L524-I528 WeakPolarHBondContact O-CG2 3.48Å; L524-I528 PolarHBondContact O-N 3.17Å; L524-I642 HydrophobicContact CD2-CD1 3.55Å |
| 525 | A | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F513 K521 T522 I528 A529 F536 F572 I617 | F513-A525 HydrophobicContact CE2-CB 4.17Å; K521-A525 PolarHBondContact O-N 3.41Å; K521-A525 VanDerWaalsContact O-N 3.13Å; T522-A525 PolarHBondContact O-N 2.87Å; A525-I528 VanDerWaalsContact O-CG2 3.27Å; A525-I528 WeakPolarHBondContact O-CG2 3.12Å; A525-A529 WeakPolarHBondContact O-CB 3.19Å; A525-A529 PolarHBondContact O-N 2.84Å; A525-F536 HydrophobicContact CB-CE2 3.83Å; A525-F536 HydrophobicContact CB-CZ 4.08Å; A525-F572 HydrophobicContact CB-CB 4.47Å; A525-F572 HydrophobicContact CB-CD2 3.44Å; A525-F572 VanDerWaalsContact CB-CD2 3.44Å; A525-F572 HydrophobicContact CB-CE2 3.66Å; A525-F572 HydrophobicContact CB-CG 3.91Å; A525-F572 HydrophobicContact CB-CZ 4.3Å; A525-I617 HydrophobicContact CB-CD1 4.01Å; A525-I617 HydrophobicContact CB-CG2 4.21Å |
| 526 | K | 90.2 | Very high | 88 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 174.3 | -70.8 | -168.6 | -177.5 | -150.9 | 0 | 112.1 | E467 P469 V471 T522 L523 L524 A529 N530 F536 | E467-K526 IonicContact OE2-NZ 2.86Å; E467-K526 PolarHBondContact OE2-NZ 3.14Å; P469-K526 HydrophobicContact CB-CB 4.04Å; P469-K526 HydrophobicContact CB-CG 4.47Å; P469-K526 VanDerWaalsContact CB-O 3.3Å; P469-K526 WeakPolarHBondContact CB-O 2.9Å; V471-K526 HydrophobicContact CB-CB 3.97Å; V471-K526 HydrophobicContact CG2-CB 3.84Å; V471-K526 HydrophobicContact CG2-CD 4.18Å; T522-K526 WeakPolarHBondContact O-CG 3.4Å; T522-K526 PolarHBondContact O-N 2.76Å; T522-K526 VanDerWaalsContact O-N 3.09Å; L523-K526 PolarHBondContact O-N 3.13Å; L524-K526 VanDerWaalsContact C-N 3.35Å; K526-A529 PolarHBondContact O-N 3.38Å; K526-N530 PolarHBondContact O-N 3.2Å; K526-F536 HydrophobicContact CD-CE1 4.21Å; K526-F536 HydrophobicContact CG-CD1 3.99Å; K526-F536 HydrophobicContact CG-CE1 3.53Å; K526-F536 HydrophobicContact CG-CE2 4.22Å; K526-F536 HydrophobicContact CG-CG 4.49Å; K526-F536 HydrophobicContact CG-CZ 3.67Å |
| 527 | A | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V471 W473 I476 L523 L524 A529 N530 E531 | V471-A527 HydrophobicContact CG1-CB 4.12Å; V471-A527 WeakPolarHBondContact O-CA 3.5Å; W473-A527 HydrophobicContact CD2-CB 4.39Å; W473-A527 HydrophobicContact CE3-CB 3.72Å; W473-A527 HydrophobicContact CH2-CB 4.35Å; W473-A527 HydrophobicContact CZ3-CB 3.69Å; I476-A527 HydrophobicContact CD1-CB 3.45Å; I476-A527 VanDerWaalsContact CD1-CB 3.45Å; I476-A527 HydrophobicContact CG1-CB 4.38Å; L523-A527 PolarHBondContact O-N 2.76Å; L524-A527 PolarHBondContact O-N 3.11Å; A527-A529 PolarHBondContact O-N 3.47Å; A527-N530 PolarHBondContact O-N 3.16Å; A527-N530 VanDerWaalsContact O-N 3.16Å; A527-E531 WeakPolarHBondContact O-CB 3.48Å; A527-E531 WeakPolarHBondContact O-CG 3.5Å; A527-E531 PolarHBondContact O-N 3.18Å |
| 528 | I | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 179.3 | -171.8 | 60.8 | 0 | 0 | 0 | 112.1 | W473 L486 V490 L524 A525 C532 I617 | W473-I528 HydrophobicContact CH2-CB 3.83Å; W473-I528 HydrophobicContact CH2-CD1 4.01Å; W473-I528 HydrophobicContact CH2-CG1 4.48Å; W473-I528 HydrophobicContact CZ2-CB 4.2Å; W473-I528 HydrophobicContact CZ2-CD1 3.66Å; L486-I528 HydrophobicContact CB-CD1 4.04Å; L486-I528 HydrophobicContact CB-CG1 4.26Å; V490-I528 HydrophobicContact CB-CD1 4.15Å; V490-I528 HydrophobicContact CB-CG1 3.95Å; V490-I528 HydrophobicContact CG1-CG1 4.23Å; V490-I528 HydrophobicContact CG2-CD1 4.48Å; V490-I528 HydrophobicContact CG2-CG1 3.95Å; L524-I528 WeakPolarHBondContact O-CG2 3.48Å; L524-I528 PolarHBondContact O-N 3.17Å; A525-I528 VanDerWaalsContact O-CG2 3.27Å; A525-I528 WeakPolarHBondContact O-CG2 3.12Å; I528-C532 WeakPolarHBondContact O-CB 3.36Å; I528-C532 PolarHBondContact O-N 2.94Å; I528-C532 PolarHBondContact O-SG 2.98Å; I528-I617 HydrophobicContact CG2-CD1 3.72Å |
| 529 | A | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P469 A525 K526 A527 C532 Q533 A534 F536 V570 | P469-A529 HydrophobicContact CG-CB 3.72Å; A525-A529 WeakPolarHBondContact O-CB 3.19Å; A525-A529 PolarHBondContact O-N 2.84Å; K526-A529 PolarHBondContact O-N 3.38Å; A527-A529 PolarHBondContact O-N 3.47Å; A529-C532 PolarHBondContact O-N 3.29Å; A529-Q533 PolarHBondContact O-N 3.29Å; A529-A534 PolarHBondContact O-N 2.86Å; A529-F536 HydrophobicContact CB-CB 4.17Å; A529-F536 HydrophobicContact CB-CD2 3.71Å; A529-F536 HydrophobicContact CB-CG 4.36Å; A529-V570 HydrophobicContact CB-CB 3.77Å; A529-V570 HydrophobicContact CB-CG1 4.31Å; A529-V570 HydrophobicContact CB-CG2 3.65Å |
| 530 | N | 86.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 28.3 Ų | 28.3 | 15% | 0.15 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 176 | -173.7 | 27.9 | 0 | 0 | 0 | 111.8 | P469 V471 K526 A527 C532 Q533 | P469-N530 HydrophobicContact CB-CB 4.13Å; P469-N530 HydrophobicContact CG-CB 3.88Å; P469-N530 WeakPolarHBondContact O-CB 3.42Å; P469-N530 PolarHBondContact O-OD1 3.25Å; P469-N530 VanDerWaalsContact O-OD1 3.06Å; V471-N530 WeakPolarHBondContact O-CB 3.5Å; V471-N530 PolarHBondContact O-ND2 3.42Å; K526-N530 PolarHBondContact O-N 3.2Å; A527-N530 PolarHBondContact O-N 3.16Å; A527-N530 VanDerWaalsContact O-N 3.16Å; N530-C532 VanDerWaalsContact C-N 3.3Å; N530-C532 PolarHBondContact O-N 3.03Å; N530-Q533 WeakPolarHBondContact O-CA 3.5Å; N530-Q533 PolarHBondContact O-N 2.86Å; N530-Q533 PolarHBondContact O-NE2 3.39Å |
| 531 | E | 85.6 | Confident | 86.2 | Confident | 64 Ų | 64 | 27.2 Ų | 27.2 | 30% | 0.299 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67 | -33.7 | -178.1 | -64.5 | -83.1 | 165 | 0 | 0 | 111.6 | W473 A527 Q533 | W473-E531 VanDerWaalsContact CD1-OE1 3.25Å; W473-E531 VanDerWaalsContact CD1-OE2 3.28Å; W473-E531 HydrophobicContact CD2-CG 4.18Å; W473-E531 HydrophobicContact CG-CG 4.14Å; W473-E531 HydrophobicContact CZ2-CB 4.45Å; W473-E531 HydrophobicContact CZ2-CG 4.24Å; W473-E531 PolarHBondContact N-OE1 2.99Å; W473-E531 VanDerWaalsContact NE1-CD 3.28Å; W473-E531 PolarHBondContact NE1-OE2 3.36Å; A527-E531 WeakPolarHBondContact O-CB 3.48Å; A527-E531 WeakPolarHBondContact O-CG 3.5Å; A527-E531 PolarHBondContact O-N 3.18Å; E531-Q533 PolarHBondContact O-N 3.2Å |
| 532 | C | 81 | Confident | 85.1 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.9 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | I528 A529 N530 A534 | I528-C532 WeakPolarHBondContact O-CB 3.36Å; I528-C532 PolarHBondContact O-N 2.94Å; I528-C532 PolarHBondContact O-SG 2.98Å; A529-C532 PolarHBondContact O-N 3.29Å; N530-C532 VanDerWaalsContact C-N 3.3Å; N530-C532 PolarHBondContact O-N 3.03Å; C532-A534 HydrophobicContact CB-CB 4.3Å; C532-A534 PolarHBondContact O-N 3.33Å; C532-A534 VanDerWaalsContact O-N 3.16Å |
| 533 | Q | 77.6 | Confident | 84.3 | Confident | 106 Ų | 106 | 33.1 Ų | 33.1 | 50% | 0.495 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.8 | -175.9 | -59.3 | -71.8 | -67.4 | 0 | 0 | 112.5 | H401 A529 N530 E531 | H401-Q533 PolarHBondContact CE1-OE1 2.89Å; A529-Q533 PolarHBondContact O-N 3.29Å; N530-Q533 WeakPolarHBondContact O-CA 3.5Å; N530-Q533 PolarHBondContact O-N 2.86Å; N530-Q533 PolarHBondContact O-NE2 3.39Å; E531-Q533 PolarHBondContact O-N 3.2Å |
| 534 | A | 81.9 | Confident | 83.3 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 7% | 0.066 | 15% | 0.148 | C | C | . | . | trans | -103.3 | 146.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A529 C532 P568 V570 | A529-A534 PolarHBondContact O-N 2.86Å; C532-A534 HydrophobicContact CB-CB 4.3Å; C532-A534 PolarHBondContact O-N 3.33Å; C532-A534 VanDerWaalsContact O-N 3.16Å; A534-P568 CarbonylContact C-O 3.59Å; A534-P568 WeakPolarHBondContact CA-O 3.4Å; A534-P568 HydrophobicContact CB-CB 4.24Å; A534-V570 HydrophobicContact CB-CG2 4.25Å | ||
| 535 | N | 83 | Confident | 81.9 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 145.5 | 171.8 | -69.2 | -45.1 | 0 | 0 | 0 | 110.3 | V466 A566 P568 C569 V570 | V466-N535 HydrophobicContact CG1-CB 3.67Å; N535-A566 HydrophobicContact CB-CB 4.21Å; N535-A566 PolarHBondContact ND2-O 3.39Å; N535-P568 PolarHBondContact N-O 3.12Å; N535-C569 HydrophobicContact CB-CB 4.33Å; N535-C569 CarbonylContact O-C 3.59Å; N535-C569 WeakPolarHBondContact O-CA 3.48Å; N535-C569 PolarHBondContact O-SG 3.32Å; N535-C569 VanDerWaalsContact O-SG 3.41Å; N535-V570 PolarHBondContact O-N 3.39Å |
| 536 | F | 86.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.7 | -178.2 | -174.7 | -104.4 | 0 | 0 | 0 | 110.9 | V466 E467 P469 A525 K526 A529 V570 F572 | V466-F536 CarbonylContact C-O 3.6Å; V466-F536 WeakPolarHBondContact CA-O 3.21Å; E467-F536 PolarHBondContact N-O 3.43Å; E467-F536 WeakPolarHBondContact O-CB 3.39Å; E467-F536 PolarHBondContact O-N 2.9Å; P469-F536 HydrophobicContact CB-CB 4.32Å; P469-F536 HydrophobicContact CG-CB 3.94Å; A525-F536 HydrophobicContact CB-CE2 3.83Å; A525-F536 HydrophobicContact CB-CZ 4.08Å; K526-F536 HydrophobicContact CD-CE1 4.21Å; K526-F536 HydrophobicContact CG-CD1 3.99Å; K526-F536 HydrophobicContact CG-CE1 3.53Å; K526-F536 HydrophobicContact CG-CE2 4.22Å; K526-F536 HydrophobicContact CG-CG 4.49Å; K526-F536 HydrophobicContact CG-CZ 3.67Å; A529-F536 HydrophobicContact CB-CB 4.17Å; A529-F536 HydrophobicContact CB-CD2 3.71Å; A529-F536 HydrophobicContact CB-CG 4.36Å; F536-V570 HydrophobicContact CD2-CB 4.07Å; F536-V570 HydrophobicContact CD2-CG1 3.96Å; F536-V570 HydrophobicContact CE2-CG1 4.05Å; F536-F572 HydrophobicContact CE1-CB 4.38Å; F536-F572 HydrophobicContact CE2-CB 3.54Å; F536-F572 HydrophobicContact CE2-CG 4.15Å; F536-F572 HydrophobicContact CZ-CB 3.44Å; F536-F572 VanDerWaalsContact CZ-CB 3.44Å; F536-F572 AromaticContact CZ-CD1 3.78Å; F536-F572 HydrophobicContact CZ-CD1 3.78Å; F536-F572 AromaticContact CZ-CG 3.74Å; F536-F572 HydrophobicContact CZ-CG 3.74Å |
| 537 | I | 86.7 | Confident | 78 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.9 | 172.9 | -60.1 | -177.9 | 0 | 0 | 0 | 107.7 | V466 I539 A563 V570 L571 F572 | V466-I537 HydrophobicContact CB-CG1 4.12Å; V466-I537 HydrophobicContact CG1-CD1 4.41Å; V466-I537 HydrophobicContact CG1-CG1 3.87Å; V466-I537 HydrophobicContact CG2-CD1 3.78Å; V466-I537 HydrophobicContact CG2-CG1 3.8Å; I537-I539 HydrophobicContact CG2-CD1 3.68Å; I537-I539 HydrophobicContact CG2-CG1 4.24Å; I537-A563 HydrophobicContact CD1-CB 3.98Å; I537-V570 PolarHBondContact N-O 3.12Å; I537-L571 HydrophobicContact CB-CD1 3.81Å; I537-L571 HydrophobicContact CG2-CD1 3.73Å; I537-F572 PolarHBondContact O-N 3.37Å |
| 538 | S | 86.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.7 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | F572 | S538-F572 WeakPolarHBondContact CA-O 3.45Å |
| 539 | I | 86 | Confident | 73.3 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.5 | 171.4 | -61.1 | 118.7 | 0 | 0 | 0 | 108.4 | I537 E543 L544 I559 L571 F572 F573 D574 | I537-I539 HydrophobicContact CG2-CD1 3.68Å; I537-I539 HydrophobicContact CG2-CG1 4.24Å; I539-E543 HydrophobicContact CG2-CB 4.43Å; I539-L544 HydrophobicContact CG2-CD1 4Å; I539-L544 HydrophobicContact CG2-CD2 3.89Å; I539-L544 HydrophobicContact CG2-CG 3.69Å; I539-I559 HydrophobicContact CD1-CB 4.48Å; I539-I559 HydrophobicContact CD1-CD1 4.14Å; I539-I559 HydrophobicContact CD1-CG1 4.34Å; I539-I559 HydrophobicContact CD1-CG2 3.37Å; I539-I559 HydrophobicContact CG1-CD1 4.01Å; I539-I559 HydrophobicContact CG1-CG1 4.5Å; I539-I559 HydrophobicContact CG1-CG2 4.36Å; I539-I559 HydrophobicContact CG2-CD1 4.39Å; I539-L571 HydrophobicContact CD1-CD1 3.43Å; I539-L571 VanDerWaalsContact CD1-CD1 3.43Å; I539-F572 PolarHBondContact N-O 2.79Å; I539-F573 HydrophobicContact CB-CD1 4.31Å; I539-F573 HydrophobicContact CB-CE1 4.46Å; I539-F573 HydrophobicContact CD1-CE1 4.08Å; I539-F573 HydrophobicContact CD1-CZ 4.5Å; I539-F573 WeakPolarHBondContact O-CA 3.27Å; I539-D574 PolarHBondContact O-N 3.07Å |
| 540 | K | 80.8 | Confident | 71.9 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.7 | 169.8 | -62.2 | -176.8 | 177 | -178.5 | 0 | 109.1 | P542 E543 D574 | K540-P542 VanDerWaalsContact C-N 3.29Å; K540-P542 VanDerWaalsContact O-N 3.1Å; K540-E543 HydrophobicContact CB-CG 4.2Å; K540-E543 VanDerWaalsContact O-CB 3.3Å; K540-E543 WeakPolarHBondContact O-CB 3.4Å; K540-E543 PolarHBondContact O-N 3.12Å; K540-D574 HydrophobicContact CG-CB 4.39Å |
| 541 | G | 71.5 | Confident | 70.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -47.8 | -41.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E543 L544 D574 S578 I579 | G541-E543 PolarHBondContact O-N 3.04Å; G541-L544 WeakPolarHBondContact O-CB 3.43Å; G541-L544 PolarHBondContact O-N 3.31Å; G541-L544 VanDerWaalsContact O-N 3.16Å; G541-D574 PolarHBondContact N-O 3.15Å; G541-S578 VanDerWaalsContact CA-OG 3.26Å; G541-S578 WeakPolarHBondContact CA-OG 3.21Å; G541-I579 WeakPolarHBondContact O-CG2 3.41Å |
| 542 | P | 69.4 | Low | 70 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -60.3 | -26 | 176.2 | -25.8 | 36.6 | 0 | 0 | 0 | 115.3 | K540 L544 L545 S578 | K540-P542 VanDerWaalsContact C-N 3.29Å; K540-P542 VanDerWaalsContact O-N 3.1Å; P542-L544 PolarHBondContact O-N 3.39Å; P542-L545 PolarHBondContact O-N 2.89Å; P542-S578 WeakPolarHBondContact CD-OG 3.32Å |
| 543 | E | 70.7 | Confident | 69.8 | Low | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -70.1 | -20 | 179.8 | -63.7 | 170.3 | -166.7 | 0 | 0 | 112.5 | I539 K540 G541 L545 | I539-E543 HydrophobicContact CG2-CB 4.43Å; K540-E543 HydrophobicContact CB-CG 4.2Å; K540-E543 VanDerWaalsContact O-CB 3.3Å; K540-E543 WeakPolarHBondContact O-CB 3.4Å; K540-E543 PolarHBondContact O-N 3.12Å; G541-E543 PolarHBondContact O-N 3.04Å; E543-L545 VanDerWaalsContact C-N 3.34Å |
| 544 | L | 70.2 | Confident | 69.5 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -81.8 | -16.3 | 178.3 | -66.1 | 171 | 0 | 0 | 0 | 112.9 | I539 G541 P542 S552 V556 I559 F573 I579 V597 | I539-L544 HydrophobicContact CG2-CD1 4Å; I539-L544 HydrophobicContact CG2-CD2 3.89Å; I539-L544 HydrophobicContact CG2-CG 3.69Å; G541-L544 WeakPolarHBondContact O-CB 3.43Å; G541-L544 PolarHBondContact O-N 3.31Å; G541-L544 VanDerWaalsContact O-N 3.16Å; P542-L544 PolarHBondContact O-N 3.39Å; L544-S552 VanDerWaalsContact O-CB 3.29Å; L544-S552 WeakPolarHBondContact O-CB 3.49Å; L544-S552 PolarHBondContact O-OG 3.21Å; L544-V556 HydrophobicContact CD2-CG2 4.09Å; L544-I559 HydrophobicContact CD2-CD1 3.31Å; L544-F573 HydrophobicContact CD1-CD1 4.15Å; L544-F573 HydrophobicContact CD1-CE1 3.99Å; L544-I579 HydrophobicContact CD1-CD1 3.7Å; L544-V597 HydrophobicContact CB-CG1 4.06Å; L544-V597 HydrophobicContact CD1-CG1 4.42Å |
| 545 | L | 63.1 | Low | 69 | Low | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | trans | -92 | 111 | -178.6 | -62.9 | 172.7 | 0 | 0 | 0 | 109.5 | P542 E543 I579 A594 V597 | P542-L545 PolarHBondContact O-N 2.89Å; E543-L545 VanDerWaalsContact C-N 3.34Å; L545-I579 HydrophobicContact CD1-CG2 4.12Å; L545-I579 HydrophobicContact CD2-CG2 4.3Å; L545-I579 HydrophobicContact CG-CG2 4.02Å; L545-A594 HydrophobicContact CD2-CB 4.2Å; L545-V597 HydrophobicContact CD2-CG2 4.31Å | ||
| 546 | T | 55.5 | Low | 69 | Low | 36 Ų | 36 | 56 Ų | 56 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | trans | -110.9 | 156.6 | 169.7 | 73.2 | 0 | 0 | 0 | 0 | 110.5 | W548 E551 S552 | T546-W548 PolarHBondContact O-N 3.27Å; T546-E551 VanDerWaalsContact CB-OE2 3.29Å; T546-E551 WeakPolarHBondContact CB-OE2 3.27Å; T546-E551 PolarHBondContact OG1-OE2 3.04Å; T546-S552 PolarHBondContact N-OG 3.16Å; T546-S552 PolarHBondContact O-OG 3.02Å; T546-S552 PolarHBondContact OG1-OG 2.87Å; T546-S552 VanDerWaalsContact OG1-OG 3.05Å | ||
| 547 | M | 45.9 | Very low | 68.7 | Low | 188 Ų | 188 | 60.1 Ų | 60.1 | 93% | 0.926 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -77 | -5.4 | 179.7 | -67.4 | -168.4 | -72.7 | 0 | 0 | 113.5 | ||
| 548 | W | 40.2 | Very low | 68.2 | Low | 191 Ų | 191 | 63.4 Ų | 63.4 | 72% | 0.723 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -104 | 136.6 | -172.9 | -55.1 | 97 | 0 | 0 | 0 | 112.2 | T546 G550 E551 | T546-W548 PolarHBondContact O-N 3.27Å; W548-G550 PolarHBondContact O-N 2.91Å; W548-E551 HydrophobicContact CB-CB 4.25Å |
| 549 | F | 41.6 | Very low | 68 | Low | 167 Ų | 167 | 62.9 Ų | 62.9 | 73% | 0.732 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 129.1 | -177.9 | -117.5 | -89.4 | 0 | 0 | 0 | 112.1 | E551 | F549-E551 PolarHBondContact O-N 2.77Š|
| 550 | G | 58.8 | Low | 68 | Low | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -15.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | W548 E553 A554 | W548-G550 PolarHBondContact O-N 2.91Å; G550-E553 WeakPolarHBondContact CA-OE2 3.08Å; G550-E553 PolarHBondContact N-OE2 2.62Å; G550-A554 WeakPolarHBondContact O-CB 3.42Å; G550-A554 PolarHBondContact O-N 3.2Å; G550-A554 VanDerWaalsContact O-N 3.15Å |
| 551 | E | 64.7 | Low | 67.9 | Low | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.3 | -40.4 | -179.7 | -173.6 | -172.3 | -147.7 | 0 | 0 | 111.1 | T546 W548 F549 E553 A554 N555 | T546-E551 VanDerWaalsContact CB-OE2 3.29Å; T546-E551 WeakPolarHBondContact CB-OE2 3.27Å; T546-E551 PolarHBondContact OG1-OE2 3.04Å; W548-E551 HydrophobicContact CB-CB 4.25Å; F549-E551 PolarHBondContact O-N 2.77Å; E551-E553 VanDerWaalsContact C-N 3.31Å; E551-E553 PolarHBondContact O-N 2.78Å; E551-A554 CarbonylContact O-C 3.54Å; E551-A554 WeakPolarHBondContact O-CA 3.18Å; E551-A554 WeakPolarHBondContact O-CB 3.4Å; E551-A554 PolarHBondContact O-N 2.98Å; E551-A554 VanDerWaalsContact O-N 3.07Å; E551-N555 VanDerWaalsContact O-CG 3.31Å; E551-N555 PolarHBondContact O-N 2.89Å; E551-N555 PolarHBondContact O-OD1 3.41Å |
| 552 | S | 67.8 | Low | 68 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.2 | -54 | 0 | 0 | 0 | 0 | 111.8 | L544 T546 N555 V556 V597 | L544-S552 VanDerWaalsContact O-CB 3.29Å; L544-S552 WeakPolarHBondContact O-CB 3.49Å; L544-S552 PolarHBondContact O-OG 3.21Å; T546-S552 PolarHBondContact N-OG 3.16Å; T546-S552 PolarHBondContact O-OG 3.02Å; T546-S552 PolarHBondContact OG1-OG 2.87Å; T546-S552 VanDerWaalsContact OG1-OG 3.05Å; S552-N555 PolarHBondContact O-N 2.87Å; S552-V556 WeakPolarHBondContact O-CG2 3.44Å; S552-V556 PolarHBondContact O-N 3.05Å; S552-V556 VanDerWaalsContact O-N 3.12Å; S552-V597 VanDerWaalsContact CB-CG2 3.49Å |
| 553 | E | 76.9 | Confident | 68.6 | Low | 22 Ų | 22 | 58.8 Ų | 58.8 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -31.5 | 175 | -55.9 | 90.5 | 152.5 | 0 | 0 | 112.4 | G550 E551 R557 R596 Q600 | G550-E553 WeakPolarHBondContact CA-OE2 3.08Å; G550-E553 PolarHBondContact N-OE2 2.62Å; E551-E553 VanDerWaalsContact C-N 3.31Å; E551-E553 PolarHBondContact O-N 2.78Å; E553-R557 PolarHBondContact O-N 2.7Å; E553-R557 PolarHBondContact O-NH1 3Å; E553-R596 HydrophobicContact CG-CB 4.22Å; E553-R596 WeakPolarHBondContact OE1-CB 3.4Å; E553-R596 WeakPolarHBondContact OE1-CD 3.17Å; E553-R596 IonicContact OE1-NE 3.6Å; E553-R596 PolarHBondContact OE1-NE 3.13Å; E553-R596 VanDerWaalsContact OE1-NE 3.14Å; E553-Q600 HydrophobicContact CB-CB 4.21Å; E553-Q600 HydrophobicContact CB-CG 4.06Å; E553-Q600 HydrophobicContact CG-CB 4.25Å |
| 554 | A | 70.8 | Confident | 69 | Low | 18 Ų | 18 | 54.8 Ų | 54.8 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G550 E551 V556 R557 D558 | G550-A554 WeakPolarHBondContact O-CB 3.42Å; G550-A554 PolarHBondContact O-N 3.2Å; G550-A554 VanDerWaalsContact O-N 3.15Å; E551-A554 CarbonylContact O-C 3.54Å; E551-A554 WeakPolarHBondContact O-CA 3.18Å; E551-A554 WeakPolarHBondContact O-CB 3.4Å; E551-A554 PolarHBondContact O-N 2.98Å; E551-A554 VanDerWaalsContact O-N 3.07Å; A554-V556 VanDerWaalsContact C-N 3.33Å; A554-V556 PolarHBondContact O-N 3.3Å; A554-R557 VanDerWaalsContact CA-NH1 3.34Å; A554-R557 WeakPolarHBondContact O-CB 3.35Å; A554-R557 PolarHBondContact O-N 2.85Å; A554-R557 VanDerWaalsContact O-N 3.12Å; A554-D558 WeakPolarHBondContact O-CB 3.3Å; A554-D558 VanDerWaalsContact O-CG 3.23Å; A554-D558 PolarHBondContact O-N 2.72Å |
| 555 | N | 72.3 | Confident | 69.2 | Low | 48 Ų | 48 | 56.6 Ų | 56.6 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 176.6 | -71.8 | -2.7 | 0 | 0 | 0 | 111.5 | E551 S552 D558 I559 | E551-N555 VanDerWaalsContact O-CG 3.31Å; E551-N555 PolarHBondContact O-N 2.89Å; E551-N555 PolarHBondContact O-OD1 3.41Å; S552-N555 PolarHBondContact O-N 2.87Å; N555-D558 PolarHBondContact O-N 3.43Å; N555-I559 VanDerWaalsContact O-CB 3.32Å; N555-I559 WeakPolarHBondContact O-CB 3.45Å; N555-I559 WeakPolarHBondContact O-CD1 3.43Å; N555-I559 WeakPolarHBondContact O-CG1 3.21Å; N555-I559 PolarHBondContact O-N 3.46Å |
| 556 | V | 83.1 | Confident | 69.8 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.5 | 176 | 0 | 0 | 0 | 0 | 111.1 | L544 S552 A554 D558 I559 F560 V597 Q600 L601 E604 | L544-V556 HydrophobicContact CD2-CG2 4.09Å; S552-V556 WeakPolarHBondContact O-CG2 3.44Å; S552-V556 PolarHBondContact O-N 3.05Å; S552-V556 VanDerWaalsContact O-N 3.12Å; A554-V556 VanDerWaalsContact C-N 3.33Å; A554-V556 PolarHBondContact O-N 3.3Å; V556-D558 PolarHBondContact O-N 3.3Å; V556-I559 PolarHBondContact O-N 2.84Å; V556-F560 HydrophobicContact CG1-CD2 4.08Å; V556-F560 HydrophobicContact CG1-CE2 4.12Å; V556-F560 VanDerWaalsContact O-CD2 3.31Å; V556-F560 WeakPolarHBondContact O-CD2 3.44Å; V556-F560 PolarHBondContact O-N 3.12Å; V556-F560 VanDerWaalsContact O-N 3.08Å; V556-V597 HydrophobicContact CG2-CG1 3.92Å; V556-Q600 HydrophobicContact CB-CB 4.43Å; V556-Q600 HydrophobicContact CB-CG 3.9Å; V556-Q600 HydrophobicContact CG1-CB 4.29Å; V556-Q600 HydrophobicContact CG1-CG 3.83Å; V556-L601 HydrophobicContact CG1-CB 4.39Å; V556-E604 HydrophobicContact CG1-CG 4.03Å |
| 557 | R | 80.9 | Confident | 70.9 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 33% | 0.328 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 177 | -76.5 | -176.3 | -129.5 | 97.1 | 7 | 112.1 | E553 A554 I559 F560 D561 Q600 E604 | E553-R557 PolarHBondContact O-N 2.7Å; E553-R557 PolarHBondContact O-NH1 3Å; A554-R557 VanDerWaalsContact CA-NH1 3.34Å; A554-R557 WeakPolarHBondContact O-CB 3.35Å; A554-R557 PolarHBondContact O-N 2.85Å; A554-R557 VanDerWaalsContact O-N 3.12Å; R557-I559 VanDerWaalsContact C-N 3.31Å; R557-I559 PolarHBondContact O-N 3.49Å; R557-F560 PolarHBondContact O-N 2.69Å; R557-D561 WeakPolarHBondContact O-CB 3.41Å; R557-D561 PolarHBondContact O-N 2.75Å; R557-Q600 HydrophobicContact CG-CG 4.32Å; R557-E604 WeakPolarHBondContact CG-OE1 3.3Å |
| 558 | D | 76.3 | Confident | 72.4 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | -177.2 | -68.3 | -16 | 0 | 0 | 0 | 111 | A554 N555 V556 D561 K562 | A554-D558 WeakPolarHBondContact O-CB 3.3Å; A554-D558 VanDerWaalsContact O-CG 3.23Å; A554-D558 PolarHBondContact O-N 2.72Å; N555-D558 PolarHBondContact O-N 3.43Å; V556-D558 PolarHBondContact O-N 3.3Å; D558-D561 PolarHBondContact O-N 3.04Å; D558-K562 WeakPolarHBondContact O-CB 3.18Å; D558-K562 WeakPolarHBondContact O-CG 3.43Å; D558-K562 PolarHBondContact O-N 3.16Å |
| 559 | I | 81.8 | Confident | 74.6 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 173.3 | -78.4 | 164.1 | 0 | 0 | 0 | 111.5 | T464 I539 L544 N555 V556 R557 K562 A563 L571 | T464-I559 HydrophobicContact CG2-CG1 4.38Å; I539-I559 HydrophobicContact CD1-CB 4.48Å; I539-I559 HydrophobicContact CD1-CD1 4.14Å; I539-I559 HydrophobicContact CD1-CG1 4.34Å; I539-I559 HydrophobicContact CD1-CG2 3.37Å; I539-I559 HydrophobicContact CG1-CD1 4.01Å; I539-I559 HydrophobicContact CG1-CG1 4.5Å; I539-I559 HydrophobicContact CG1-CG2 4.36Å; I539-I559 HydrophobicContact CG2-CD1 4.39Å; L544-I559 HydrophobicContact CD2-CD1 3.31Å; N555-I559 VanDerWaalsContact O-CB 3.32Å; N555-I559 WeakPolarHBondContact O-CB 3.45Å; N555-I559 WeakPolarHBondContact O-CD1 3.43Å; N555-I559 WeakPolarHBondContact O-CG1 3.21Å; N555-I559 PolarHBondContact O-N 3.46Å; V556-I559 PolarHBondContact O-N 2.84Å; R557-I559 VanDerWaalsContact C-N 3.31Å; R557-I559 PolarHBondContact O-N 3.49Å; I559-K562 PolarHBondContact O-N 3.44Å; I559-A563 WeakPolarHBondContact O-CB 3.46Å; I559-A563 PolarHBondContact O-N 2.83Å; I559-L571 HydrophobicContact CG2-CD1 3.94Å; I559-L571 HydrophobicContact CG2-CD2 4.46Å |
| 560 | F | 85.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | 179.3 | -89.4 | -101.1 | 0 | 0 | 0 | 112.1 | V556 R557 K562 A563 R564 L571 F573 L601 E604 M605 M608 I616 | V556-F560 HydrophobicContact CG1-CD2 4.08Å; V556-F560 HydrophobicContact CG1-CE2 4.12Å; V556-F560 VanDerWaalsContact O-CD2 3.31Å; V556-F560 WeakPolarHBondContact O-CD2 3.44Å; V556-F560 PolarHBondContact O-N 3.12Å; V556-F560 VanDerWaalsContact O-N 3.08Å; R557-F560 PolarHBondContact O-N 2.69Å; F560-K562 VanDerWaalsContact C-N 3.33Å; F560-A563 PolarHBondContact O-N 3.44Å; F560-R564 WeakPolarHBondContact O-CB 3.37Å; F560-R564 WeakPolarHBondContact O-CD 3.47Å; F560-R564 WeakPolarHBondContact O-CG 3.44Å; F560-R564 PolarHBondContact O-N 2.83Å; F560-L571 HydrophobicContact CD1-CD2 4.27Å; F560-L571 HydrophobicContact CD2-CD2 4.26Å; F560-L571 HydrophobicContact CE1-CD2 4.06Å; F560-L571 HydrophobicContact CE2-CD2 4.03Å; F560-L571 HydrophobicContact CG-CD2 4.4Å; F560-L571 HydrophobicContact CZ-CD2 3.93Å; F560-F573 HydrophobicContact CE2-CE2 4.27Å; F560-F573 AromaticContact CE2-CZ 3.71Å; F560-F573 HydrophobicContact CE2-CZ 3.71Å; F560-F573 HydrophobicContact CZ-CE2 4.2Å; F560-F573 HydrophobicContact CZ-CZ 4.11Å; F560-L601 HydrophobicContact CE2-CD1 3.41Å; F560-L601 VanDerWaalsContact CE2-CD1 3.41Å; F560-L601 HydrophobicContact CZ-CD1 3.57Å; F560-E604 HydrophobicContact CB-CB 4.22Å; F560-E604 HydrophobicContact CB-CG 4.15Å; F560-E604 HydrophobicContact CD1-CB 3.58Å; F560-E604 HydrophobicContact CD1-CG 4.4Å; F560-E604 HydrophobicContact CD2-CB 3.71Å; F560-E604 HydrophobicContact CD2-CG 3.91Å; F560-E604 HydrophobicContact CE1-CB 3.69Å; F560-E604 HydrophobicContact CE2-CB 3.85Å; F560-E604 HydrophobicContact CE2-CG 4.38Å; F560-E604 HydrophobicContact CG-CB 3.56Å; F560-E604 HydrophobicContact CG-CG 3.9Å; F560-E604 HydrophobicContact CZ-CB 3.83Å; F560-M605 HydrophobicContact CE1-CG 4.2Å; F560-M605 HydrophobicContact CZ-CG 3.97Å; F560-M608 HydrophobicContact CD1-CG 4.39Å; F560-M608 HydrophobicContact CD1-SD 4.14Å; F560-M608 HydrophobicContact CE1-CG 4.42Å; F560-M608 HydrophobicContact CE1-SD 4Å; F560-I616 HydrophobicContact CE1-CD1 3.69Å; F560-I616 HydrophobicContact CZ-CD1 3.97Å |
| 561 | D | 78.6 | Confident | 78.4 | Confident | 35 Ų | 35 | 29 Ų | 29 | 19% | 0.187 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 173.8 | -78.7 | -32.8 | 0 | 0 | 0 | 112.2 | N348 R557 D558 R564 Q565 | N348-D561 PolarHBondContact ND2-OD2 2.95Å; R557-D561 WeakPolarHBondContact O-CB 3.41Å; R557-D561 PolarHBondContact O-N 2.75Å; D558-D561 PolarHBondContact O-N 3.04Å; D561-R564 WeakPolarHBondContact O-CB 3.31Å; D561-R564 PolarHBondContact O-N 3.11Å; D561-R564 IonicContact OD1-CZ 2.71Å; D561-R564 IonicContact OD1-NH1 2.8Å; D561-R564 PolarHBondContact OD1-NH1 2.9Å; D561-Q565 VanDerWaalsContact O-CG 3.27Å; D561-Q565 WeakPolarHBondContact O-CG 3.41Å; D561-Q565 PolarHBondContact O-N 2.81Å |
| 562 | K | 73.7 | Confident | 79.8 | Confident | 49 Ų | 49 | 25 Ų | 25 | 21% | 0.213 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.5 | -73.2 | 176.8 | -174.5 | 177.1 | 0 | 112.1 | E463 T464 D558 I559 F560 R564 Q565 A566 | E463-K562 PolarHBondContact O-NZ 3.5Å; E463-K562 IonicContact OE2-NZ 3.11Å; T464-K562 HydrophobicContact CG2-CD 4Å; T464-K562 WeakPolarHBondContact OG1-CD 3.14Å; D558-K562 WeakPolarHBondContact O-CB 3.18Å; D558-K562 WeakPolarHBondContact O-CG 3.43Å; D558-K562 PolarHBondContact O-N 3.16Å; I559-K562 PolarHBondContact O-N 3.44Å; F560-K562 VanDerWaalsContact C-N 3.33Å; K562-R564 PolarHBondContact O-N 3.47Å; K562-Q565 PolarHBondContact O-N 3.08Å; K562-Q565 VanDerWaalsContact O-N 3.11Å; K562-A566 WeakPolarHBondContact O-CB 3.23Å; K562-A566 PolarHBondContact O-N 3.16Å |
| 563 | A | 81.7 | Confident | 81 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I537 I559 F560 A566 A567 C569 L571 V614 | I537-A563 HydrophobicContact CD1-CB 3.98Å; I559-A563 WeakPolarHBondContact O-CB 3.46Å; I559-A563 PolarHBondContact O-N 2.83Å; F560-A563 PolarHBondContact O-N 3.44Å; A563-A566 CarbonylContact O-C 3.58Å; A563-A566 PolarHBondContact O-N 3.26Å; A563-A567 PolarHBondContact O-N 2.87Å; A563-A567 VanDerWaalsContact O-N 3.16Å; A563-C569 WeakPolarHBondContact O-CB 3.27Å; A563-L571 HydrophobicContact CB-CD1 4.34Å; A563-L571 HydrophobicContact CB-CD2 4.23Å; A563-V614 HydrophobicContact CB-CG1 3.97Å; A563-V614 HydrophobicContact CB-CG2 4.47Å; A563-V614 WeakPolarHBondContact O-CG2 3.45Å |
| 564 | R | 80.3 | Confident | 81.6 | Confident | 33 Ų | 33 | 25.1 Ų | 25.1 | 13% | 0.125 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 174.6 | -69 | 165.8 | -167.1 | 138.9 | 4.2 | 112.5 | F560 D561 K562 A566 A567 E604 K612 V614 | F560-R564 WeakPolarHBondContact O-CB 3.37Å; F560-R564 WeakPolarHBondContact O-CD 3.47Å; F560-R564 WeakPolarHBondContact O-CG 3.44Å; F560-R564 PolarHBondContact O-N 2.83Å; D561-R564 WeakPolarHBondContact O-CB 3.31Å; D561-R564 PolarHBondContact O-N 3.11Å; D561-R564 IonicContact OD1-CZ 2.71Å; D561-R564 IonicContact OD1-NH1 2.8Å; D561-R564 PolarHBondContact OD1-NH1 2.9Å; K562-R564 PolarHBondContact O-N 3.47Å; R564-A566 VanDerWaalsContact C-N 3.27Å; R564-A567 WeakPolarHBondContact O-CB 3.47Å; R564-A567 PolarHBondContact O-N 2.78Å; R564-E604 IonicContact CZ-OE2 3.02Å; R564-E604 IonicContact NH1-OE2 2.71Å; R564-E604 PolarHBondContact NH1-OE2 3.01Å; R564-E604 IonicContact NH2-OE2 3.26Å; R564-E604 PolarHBondContact NH2-OE2 3.15Å; R564-K612 HydrophobicContact CB-CD 3.89Å; R564-K612 HydrophobicContact CG-CD 3.6Å; R564-V614 HydrophobicContact CG-CG2 4.28Å |
| 565 | Q | 74.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.8 | -28.3 | 177.2 | -71.6 | 172 | 25.4 | 0 | 0 | 112.4 | P243 D561 K562 | P243-Q565 HydrophobicContact CG-CB 4.31Å; D561-Q565 VanDerWaalsContact O-CG 3.27Å; D561-Q565 WeakPolarHBondContact O-CG 3.41Å; D561-Q565 PolarHBondContact O-N 2.81Å; K562-Q565 PolarHBondContact O-N 3.08Å; K562-Q565 VanDerWaalsContact O-N 3.11Å |
| 566 | A | 75.3 | Confident | 83.1 | Confident | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V466 N535 K562 A563 R564 P568 C569 | V466-A566 HydrophobicContact CG1-CB 4.17Å; N535-A566 HydrophobicContact CB-CB 4.21Å; N535-A566 PolarHBondContact ND2-O 3.39Å; K562-A566 WeakPolarHBondContact O-CB 3.23Å; K562-A566 PolarHBondContact O-N 3.16Å; A563-A566 CarbonylContact O-C 3.58Å; A563-A566 PolarHBondContact O-N 3.26Å; R564-A566 VanDerWaalsContact C-N 3.27Å; A566-P568 CarbonylContact O-C 3.56Å; A566-P568 VanDerWaalsContact O-O 3.09Å; A566-C569 HydrophobicContact CB-CB 4.38Å; A566-C569 WeakPolarHBondContact O-CB 3.43Å |
| 567 | A | 78.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 27.1 Ų | 27.1 | 33% | 0.331 | 14% | 0.139 | S | C | . | . | trans | -63.1 | 139 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A563 R564 V614 | A563-A567 PolarHBondContact O-N 2.87Å; A563-A567 VanDerWaalsContact O-N 3.16Å; R564-A567 WeakPolarHBondContact O-CB 3.47Å; R564-A567 PolarHBondContact O-N 2.78Å; A567-V614 HydrophobicContact CB-CG2 4.22Å | ||
| 568 | P | 78.9 | Confident | 83.2 | Confident | 57 Ų | 57 | 24.7 Ų | 24.7 | 37% | 0.37 | 14% | 0.135 | S | C | . | . | S | Bend | cis | -69.6 | 128.4 | 2.4 | 29.5 | -34.2 | 0 | 0 | 0 | 112.3 | A534 N535 A566 N613 | A534-P568 CarbonylContact C-O 3.59Å; A534-P568 WeakPolarHBondContact CA-O 3.4Å; A534-P568 HydrophobicContact CB-CB 4.24Å; N535-P568 PolarHBondContact N-O 3.12Å; A566-P568 CarbonylContact O-C 3.56Å; A566-P568 VanDerWaalsContact O-O 3.09Å; P568-N613 WeakPolarHBondContact CA-O 3.49Å; P568-N613 HydrophobicContact CB-CB 4.13Å |
| 569 | C | 85.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.2 | -171.6 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | N535 A563 A566 N613 V614 F615 | N535-C569 HydrophobicContact CB-CB 4.33Å; N535-C569 CarbonylContact O-C 3.59Å; N535-C569 WeakPolarHBondContact O-CA 3.48Å; N535-C569 PolarHBondContact O-SG 3.32Å; N535-C569 VanDerWaalsContact O-SG 3.41Å; A563-C569 WeakPolarHBondContact O-CB 3.27Å; A566-C569 HydrophobicContact CB-CB 4.38Å; A566-C569 WeakPolarHBondContact O-CB 3.43Å; C569-N613 PolarHBondContact N-O 3.36Å; C569-V614 VanDerWaalsContact O-CA 3.31Å; C569-V614 WeakPolarHBondContact O-CA 3.29Å; C569-F615 PolarHBondContact O-N 3.18Å |
| 570 | V | 90 | Very high | 82.4 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.5 | 166.6 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | A529 A534 N535 F536 I537 F615 I617 | A529-V570 HydrophobicContact CB-CB 3.77Å; A529-V570 HydrophobicContact CB-CG1 4.31Å; A529-V570 HydrophobicContact CB-CG2 3.65Å; A534-V570 HydrophobicContact CB-CG2 4.25Å; N535-V570 PolarHBondContact O-N 3.39Å; F536-V570 HydrophobicContact CD2-CB 4.07Å; F536-V570 HydrophobicContact CD2-CG1 3.96Å; F536-V570 HydrophobicContact CE2-CG1 4.05Å; I537-V570 PolarHBondContact N-O 3.12Å; V570-F615 CarbonylContact C-O 3.59Å; V570-F615 WeakPolarHBondContact CA-O 3.35Å; V570-I617 HydrophobicContact CG1-CD1 3.53Å; V570-I617 HydrophobicContact CG1-CG1 3.91Å |
| 571 | L | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 105.9 | 177.3 | -177.5 | 61.6 | 0 | 0 | 0 | 109.3 | I537 I539 I559 F560 A563 F573 V614 F615 I616 I617 | I537-L571 HydrophobicContact CB-CD1 3.81Å; I537-L571 HydrophobicContact CG2-CD1 3.73Å; I539-L571 HydrophobicContact CD1-CD1 3.43Å; I539-L571 VanDerWaalsContact CD1-CD1 3.43Å; I559-L571 HydrophobicContact CG2-CD1 3.94Å; I559-L571 HydrophobicContact CG2-CD2 4.46Å; F560-L571 HydrophobicContact CD1-CD2 4.27Å; F560-L571 HydrophobicContact CD2-CD2 4.26Å; F560-L571 HydrophobicContact CE1-CD2 4.06Å; F560-L571 HydrophobicContact CE2-CD2 4.03Å; F560-L571 HydrophobicContact CG-CD2 4.4Å; F560-L571 HydrophobicContact CZ-CD2 3.93Å; A563-L571 HydrophobicContact CB-CD1 4.34Å; A563-L571 HydrophobicContact CB-CD2 4.23Å; L571-F573 HydrophobicContact CD1-CZ 4.39Å; L571-F573 HydrophobicContact CD2-CE2 3.59Å; L571-F573 HydrophobicContact CD2-CZ 3.72Å; L571-F573 HydrophobicContact CG-CD2 4.36Å; L571-F573 HydrophobicContact CG-CE2 3.64Å; L571-F573 HydrophobicContact CG-CZ 3.94Å; L571-V614 HydrophobicContact CB-CG1 4.22Å; L571-F615 PolarHBondContact N-O 3.36Å; L571-I616 HydrophobicContact CB-CG1 4.44Å; L571-I616 HydrophobicContact CD2-CG1 4.47Å; L571-I616 CarbonylContact O-C 3.55Å; L571-I616 WeakPolarHBondContact O-CA 3.36Å; L571-I617 PolarHBondContact O-N 2.74Å |
| 572 | F | 93.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.1 | -176.7 | -178.2 | -115.2 | 0 | 0 | 0 | 111.8 | T522 A525 F536 I537 S538 I539 D574 I617 A619 | T522-F572 HydrophobicContact CG2-CD1 4.39Å; T522-F572 HydrophobicContact CG2-CE1 3.68Å; T522-F572 HydrophobicContact CG2-CZ 4.33Å; A525-F572 HydrophobicContact CB-CB 4.47Å; A525-F572 HydrophobicContact CB-CD2 3.44Å; A525-F572 VanDerWaalsContact CB-CD2 3.44Å; A525-F572 HydrophobicContact CB-CE2 3.66Å; A525-F572 HydrophobicContact CB-CG 3.91Å; A525-F572 HydrophobicContact CB-CZ 4.3Å; F536-F572 HydrophobicContact CE1-CB 4.38Å; F536-F572 HydrophobicContact CE2-CB 3.54Å; F536-F572 HydrophobicContact CE2-CG 4.15Å; F536-F572 HydrophobicContact CZ-CB 3.44Å; F536-F572 VanDerWaalsContact CZ-CB 3.44Å; F536-F572 AromaticContact CZ-CD1 3.78Å; F536-F572 HydrophobicContact CZ-CD1 3.78Å; F536-F572 AromaticContact CZ-CG 3.74Å; F536-F572 HydrophobicContact CZ-CG 3.74Å; I537-F572 PolarHBondContact O-N 3.37Å; S538-F572 WeakPolarHBondContact CA-O 3.45Å; I539-F572 PolarHBondContact N-O 2.79Å; F572-D574 HydrophobicContact CD1-CB 4.18Å; F572-D574 HydrophobicContact CE1-CB 3.51Å; F572-D574 HydrophobicContact CZ-CB 4.05Å; F572-I617 CarbonylContact C-O 3.56Å; F572-I617 VanDerWaalsContact CA-O 3.27Å; F572-I617 WeakPolarHBondContact CA-O 3.49Å; F572-I617 HydrophobicContact CD2-CB 3.83Å; F572-I617 HydrophobicContact CD2-CG2 3.56Å; F572-I617 HydrophobicContact CE2-CG2 3.83Å; F572-A619 HydrophobicContact CE2-CB 3.54Å; F572-A619 HydrophobicContact CZ-CB 3.5Å; F572-A619 VanDerWaalsContact CZ-CB 3.5Å |
| 573 | F | 92.2 | Very high | 80 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 103.2 | 170.6 | -67.6 | -79.7 | 0 | 0 | 0 | 109.6 | I539 L544 F560 L571 L576 L601 I616 I617 G618 A619 | I539-F573 HydrophobicContact CB-CD1 4.31Å; I539-F573 HydrophobicContact CB-CE1 4.46Å; I539-F573 HydrophobicContact CD1-CE1 4.08Å; I539-F573 HydrophobicContact CD1-CZ 4.5Å; I539-F573 WeakPolarHBondContact O-CA 3.27Å; L544-F573 HydrophobicContact CD1-CD1 4.15Å; L544-F573 HydrophobicContact CD1-CE1 3.99Å; F560-F573 HydrophobicContact CE2-CE2 4.27Å; F560-F573 AromaticContact CE2-CZ 3.71Å; F560-F573 HydrophobicContact CE2-CZ 3.71Å; F560-F573 HydrophobicContact CZ-CE2 4.2Å; F560-F573 HydrophobicContact CZ-CZ 4.11Å; L571-F573 HydrophobicContact CD1-CZ 4.39Å; L571-F573 HydrophobicContact CD2-CE2 3.59Å; L571-F573 HydrophobicContact CD2-CZ 3.72Å; L571-F573 HydrophobicContact CG-CD2 4.36Å; L571-F573 HydrophobicContact CG-CE2 3.64Å; L571-F573 HydrophobicContact CG-CZ 3.94Å; F573-L576 HydrophobicContact CB-CD1 4.27Å; F573-L576 HydrophobicContact CB-CD2 3.58Å; F573-L576 HydrophobicContact CB-CG 3.77Å; F573-L576 HydrophobicContact CG-CD2 4.18Å; F573-L601 HydrophobicContact CE1-CD1 4.08Å; F573-L601 HydrophobicContact CE2-CD1 3.9Å; F573-L601 HydrophobicContact CZ-CD1 3.56Å; F573-I616 HydrophobicContact CD2-CG2 3.81Å; F573-I616 HydrophobicContact CE2-CG2 3.88Å; F573-I617 PolarHBondContact N-O 2.8Å; F573-G618 CarbonylContact O-C 3.53Å; F573-A619 PolarHBondContact O-N 2.89Å |
| 574 | D | 90.4 | Very high | 78.5 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 150.1 | 173.5 | -147.6 | -12.5 | 0 | 0 | 0 | 110.9 | T522 I539 K540 G541 F572 L576 | T522-D574 PolarHBondContact OG1-OD2 3.37Å; I539-D574 PolarHBondContact O-N 3.07Å; K540-D574 HydrophobicContact CG-CB 4.39Å; G541-D574 PolarHBondContact N-O 3.15Å; F572-D574 HydrophobicContact CD1-CB 4.18Å; F572-D574 HydrophobicContact CE1-CB 3.51Å; F572-D574 HydrophobicContact CZ-CB 4.05Å; D574-L576 VanDerWaalsContact C-N 3.34Å; D574-L576 PolarHBondContact O-N 2.82Å |
| 575 | E | 87 | Confident | 77.1 | Confident | 80 Ų | 80 | 37.3 Ų | 37.3 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | 53.1 | 46 | -179.5 | -56.2 | -177.3 | 157.2 | 0 | 0 | 113.5 | D577 S578 A619 | E575-D577 PolarHBondContact O-N 2.89Å; E575-D577 VanDerWaalsContact O-N 3.07Å; E575-S578 WeakPolarHBondContact O-CB 3.39Å; E575-S578 PolarHBondContact O-N 2.8Å; E575-S578 PolarHBondContact O-OG 2.83Å; E575-A619 PolarHBondContact N-O 2.98Å | ||
| 576 | L | 87 | Confident | 75.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -54.6 | -29.8 | 179.7 | -88 | 177.8 | 0 | 0 | 0 | 113 | L512 F573 D574 S578 I579 A580 L601 A619 I626 L636 | L512-L576 HydrophobicContact CD1-CD1 3.84Å; F573-L576 HydrophobicContact CB-CD1 4.27Å; F573-L576 HydrophobicContact CB-CD2 3.58Å; F573-L576 HydrophobicContact CB-CG 3.77Å; F573-L576 HydrophobicContact CG-CD2 4.18Å; D574-L576 VanDerWaalsContact C-N 3.34Å; D574-L576 PolarHBondContact O-N 2.82Å; L576-S578 PolarHBondContact O-N 3.47Å; L576-S578 VanDerWaalsContact O-N 3.11Å; L576-I579 HydrophobicContact CD2-CD1 4.03Å; L576-I579 HydrophobicContact CD2-CG1 4.26Å; L576-I579 WeakPolarHBondContact O-CG1 3.37Å; L576-I579 PolarHBondContact O-N 2.75Å; L576-I579 VanDerWaalsContact O-N 3.1Å; L576-A580 WeakPolarHBondContact O-CB 3.11Å; L576-A580 PolarHBondContact O-N 3.12Å; L576-L601 HydrophobicContact CD2-CD2 4.48Å; L576-A619 PolarHBondContact N-O 3.35Å; L576-I626 HydrophobicContact CB-CD1 4.11Å; L576-L636 HydrophobicContact CD1-CD1 3.76Å |
| 577 | D | 86.3 | Confident | 74.6 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -61.7 | -14 | 175.6 | 46.3 | -59.2 | 0 | 0 | 0 | 114.7 | E575 K581 T620 R622 I625 I626 | E575-D577 PolarHBondContact O-N 2.89Å; E575-D577 VanDerWaalsContact O-N 3.07Å; D577-K581 WeakPolarHBondContact O-CE 3.49Å; D577-K581 VanDerWaalsContact O-CG 3.27Å; D577-K581 WeakPolarHBondContact O-CG 3.41Å; D577-T620 WeakPolarHBondContact CB-OG1 3.36Å; D577-T620 VanDerWaalsContact CG-OG1 3.24Å; D577-T620 PolarHBondContact OD1-OG1 2.58Å; D577-R622 HydrophobicContact CB-CB 3.87Å; D577-I625 HydrophobicContact CB-CD1 3.76Å; D577-I625 HydrophobicContact CB-CG1 4.08Å; D577-I626 HydrophobicContact CB-CD1 4.12Å |
| 578 | S | 80.6 | Confident | 73 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -73.9 | -34.5 | 172.4 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | G541 P542 E575 L576 | G541-S578 VanDerWaalsContact CA-OG 3.26Å; G541-S578 WeakPolarHBondContact CA-OG 3.21Å; P542-S578 WeakPolarHBondContact CD-OG 3.32Å; E575-S578 WeakPolarHBondContact O-CB 3.39Å; E575-S578 PolarHBondContact O-N 2.8Å; E575-S578 PolarHBondContact O-OG 2.83Å; L576-S578 PolarHBondContact O-N 3.47Å; L576-S578 VanDerWaalsContact O-N 3.11Å |
| 579 | I | 74.4 | Confident | 71.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -29.1 | -177.8 | 59.7 | 172.5 | 0 | 0 | 0 | 113.3 | G541 L544 L545 L576 K581 V597 I598 L601 | G541-I579 WeakPolarHBondContact O-CG2 3.41Å; L544-I579 HydrophobicContact CD1-CD1 3.7Å; L545-I579 HydrophobicContact CD1-CG2 4.12Å; L545-I579 HydrophobicContact CD2-CG2 4.3Å; L545-I579 HydrophobicContact CG-CG2 4.02Å; L576-I579 HydrophobicContact CD2-CD1 4.03Å; L576-I579 HydrophobicContact CD2-CG1 4.26Å; L576-I579 WeakPolarHBondContact O-CG1 3.37Å; L576-I579 PolarHBondContact O-N 2.75Å; L576-I579 VanDerWaalsContact O-N 3.1Å; I579-K581 PolarHBondContact O-N 3.29Å; I579-V597 HydrophobicContact CD1-CG1 4.38Å; I579-I598 WeakPolarHBondContact O-CD1 3.39Å; I579-I598 WeakPolarHBondContact O-CG1 3.27Å; I579-L601 HydrophobicContact CD1-CD2 4.39Å |
| 580 | A | 66.9 | Low | 69.9 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | trans | -100.3 | 35.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L576 I626 D627 I630 | L576-A580 WeakPolarHBondContact O-CB 3.11Å; L576-A580 PolarHBondContact O-N 3.12Å; A580-I626 HydrophobicContact CB-CD1 4.04Å; A580-I626 CarbonylContact O-C 3.14Å; A580-I626 WeakPolarHBondContact O-CA 3.35Å; A580-D627 PolarHBondContact O-N 2.86Å; A580-I630 HydrophobicContact CB-CD1 3.44Å; A580-I630 VanDerWaalsContact CB-CD1 3.44Å | ||
| 581 | K | 70.7 | Confident | 68.2 | Low | 119 Ų | 119 | 57.6 Ų | 57.6 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 141.4 | -178.7 | -65.2 | -177.1 | -176.9 | 171.8 | 0 | 110.7 | D577 I579 R583 I625 | D577-K581 WeakPolarHBondContact O-CE 3.49Å; D577-K581 VanDerWaalsContact O-CG 3.27Å; D577-K581 WeakPolarHBondContact O-CG 3.41Å; I579-K581 PolarHBondContact O-N 3.29Å; K581-R583 PolarHBondContact O-N 2.89Å; K581-I625 CarbonylContact C-O 3.47Å; K581-I625 VanDerWaalsContact CA-O 3.31Å; K581-I625 WeakPolarHBondContact CA-O 3.27Å; K581-I625 HydrophobicContact CG-CD1 4.15Å |
| 582 | A | 58.9 | Low | 67 | Low | 64 Ų | 64 | 58.7 Ų | 58.7 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 123.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | G584 I625 | A582-G584 PolarHBondContact O-N 3.32Å; A582-I625 PolarHBondContact N-O 2.85Å |
| 583 | R | 56.7 | Low | 65.7 | Low | 128 Ų | 128 | 59.5 Ų | 59.5 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.1 | -178.7 | -72.3 | 169.3 | -76.9 | 174.9 | -5 | 111 | K581 D627 | K581-R583 PolarHBondContact O-N 2.89Å; R583-D627 IonicContact CZ-OD2 3.5Å; R583-D627 VanDerWaalsContact CZ-OD2 3.26Å; R583-D627 IonicContact NE-OD2 3.21Å; R583-D627 PolarHBondContact NE-OD2 3.4Å; R583-D627 IonicContact NH2-OD1 2.82Å; R583-D627 PolarHBondContact NH2-OD1 3.37Å; R583-D627 IonicContact NH2-OD2 3.18Å; R583-D627 PolarHBondContact NH2-OD2 2.97Å |
| 584 | G | 51.7 | Low | 64.6 | Low | 83 Ų | 83 | 60.1 Ų | 60.1 | 86% | 0.856 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.4 | -4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | A582 | A582-G584 PolarHBondContact O-N 3.32Š|
| 585 | G | 50.3 | Low | 63.9 | Low | 74 Ų | 74 | 61.9 Ų | 61.9 | 76% | 0.763 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -97 | -22.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 586 | S | 48.3 | Very low | 63.4 | Low | 100 Ų | 100 | 61.6 Ų | 61.6 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | trans | -134.8 | 111.8 | -169.8 | -78.4 | 0 | 0 | 0 | 0 | 112.9 | G588 | S586-G588 PolarHBondContact O-N 3.13Š| ||
| 587 | V | 47.9 | Very low | 63.1 | Low | 167 Ų | 167 | 61.4 Ų | 61.4 | 100% | 1.012 | 41% | 0.408 | S | S | * | . | trans | -77.6 | 30 | 173.7 | -169 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 588 | G | 45.8 | Very low | 62.9 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -112.7 | 141.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S586 A590 G591 | S586-G588 PolarHBondContact O-N 3.13Å; G588-A590 PolarHBondContact O-N 3.42Å; G588-G591 PolarHBondContact O-N 2.87Å |
| 589 | D | 48.7 | Very low | 63 | Low | 148 Ų | 148 | 62 Ų | 62 | 79% | 0.791 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -51.6 | -27.7 | -178 | -122.7 | -2.1 | 0 | 0 | 0 | 113.9 | G591 G592 | D589-G591 VanDerWaalsContact C-N 3.29Å; D589-G591 PolarHBondContact O-N 3.29Å; D589-G592 PolarHBondContact O-N 2.78Å |
| 590 | A | 48.7 | Very low | 63.6 | Low | 90 Ų | 90 | 63.4 Ų | 63.4 | 74% | 0.744 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.5 | -30.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G588 G592 | G588-A590 PolarHBondContact O-N 3.42Å; A590-G592 VanDerWaalsContact C-N 3.34Å |
| 591 | G | 54.5 | Low | 64.6 | Low | 23 Ų | 23 | 63.6 Ų | 63.6 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.9 | -31.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G588 D589 A593 A594 D595 | G588-G591 PolarHBondContact O-N 2.87Å; D589-G591 VanDerWaalsContact C-N 3.29Å; D589-G591 PolarHBondContact O-N 3.29Å; G591-A593 VanDerWaalsContact C-N 3.32Å; G591-A593 PolarHBondContact O-N 3.28Å; G591-A594 PolarHBondContact O-N 3.11Å; G591-D595 PolarHBondContact O-N 3.34Å |
| 592 | G | 66.8 | Low | 65.3 | Low | 23 Ų | 23 | 58.4 Ų | 58.4 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -31.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D589 A590 R596 | D589-G592 PolarHBondContact O-N 2.78Å; A590-G592 VanDerWaalsContact C-N 3.34Å; G592-R596 VanDerWaalsContact O-CG 3.27Å; G592-R596 WeakPolarHBondContact O-CG 3.12Å; G592-R596 PolarHBondContact O-N 2.88Å; G592-R596 VanDerWaalsContact O-N 3.1Å; G592-R596 PolarHBondContact O-NH1 2.69Å |
| 593 | A | 65 | Low | 66.6 | Low | 16 Ų | 16 | 59.4 Ų | 59.4 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G591 D595 R596 V597 | G591-A593 VanDerWaalsContact C-N 3.32Å; G591-A593 PolarHBondContact O-N 3.28Å; A593-D595 PolarHBondContact O-N 2.84Å; A593-R596 PolarHBondContact O-N 3.27Å; A593-V597 WeakPolarHBondContact O-CG2 3.48Å; A593-V597 PolarHBondContact O-N 3.19Å |
| 594 | A | 69.4 | Low | 68 | Low | 19 Ų | 19 | 54.4 Ų | 54.4 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L545 G591 R596 V597 I598 | L545-A594 HydrophobicContact CD2-CB 4.2Å; G591-A594 PolarHBondContact O-N 3.11Å; A594-R596 VanDerWaalsContact C-N 3.32Å; A594-R596 PolarHBondContact O-N 3.09Å; A594-V597 PolarHBondContact O-N 3.41Å; A594-I598 WeakPolarHBondContact O-CG1 3.46Å; A594-I598 PolarHBondContact O-N 3.08Å |
| 595 | D | 75.7 | Confident | 69.6 | Low | 58 Ų | 58 | 50.6 Ų | 50.6 | 31% | 0.31 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 177.9 | -73.1 | -17.7 | 0 | 0 | 0 | 112.7 | G591 A593 I598 N599 | G591-D595 PolarHBondContact O-N 3.34Å; A593-D595 PolarHBondContact O-N 2.84Å; D595-I598 PolarHBondContact O-N 2.72Å; D595-N599 VanDerWaalsContact O-CG 3.3Å; D595-N599 PolarHBondContact O-N 3.22Å; D595-N599 PolarHBondContact O-ND2 3.12Å; D595-N599 VanDerWaalsContact O-ND2 3.15Å |
| 596 | R | 77.7 | Confident | 71.2 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 175.9 | -70.8 | -174.8 | -54.5 | -100.7 | 3.9 | 112.1 | E553 G592 A593 A594 N599 Q600 | E553-R596 HydrophobicContact CG-CB 4.22Å; E553-R596 WeakPolarHBondContact OE1-CB 3.4Å; E553-R596 WeakPolarHBondContact OE1-CD 3.17Å; E553-R596 IonicContact OE1-NE 3.6Å; E553-R596 PolarHBondContact OE1-NE 3.13Å; E553-R596 VanDerWaalsContact OE1-NE 3.14Å; G592-R596 VanDerWaalsContact O-CG 3.27Å; G592-R596 WeakPolarHBondContact O-CG 3.12Å; G592-R596 PolarHBondContact O-N 2.88Å; G592-R596 VanDerWaalsContact O-N 3.1Å; G592-R596 PolarHBondContact O-NH1 2.69Å; A593-R596 PolarHBondContact O-N 3.27Å; A594-R596 VanDerWaalsContact C-N 3.32Å; A594-R596 PolarHBondContact O-N 3.09Å; R596-N599 PolarHBondContact O-N 3.24Å; R596-Q600 PolarHBondContact O-N 2.71Å |
| 597 | V | 80.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L544 L545 S552 V556 I579 A593 A594 Q600 L601 | L544-V597 HydrophobicContact CB-CG1 4.06Å; L544-V597 HydrophobicContact CD1-CG1 4.42Å; L545-V597 HydrophobicContact CD2-CG2 4.31Å; S552-V597 VanDerWaalsContact CB-CG2 3.49Å; V556-V597 HydrophobicContact CG2-CG1 3.92Å; I579-V597 HydrophobicContact CD1-CG1 4.38Å; A593-V597 WeakPolarHBondContact O-CG2 3.48Å; A593-V597 PolarHBondContact O-N 3.19Å; A594-V597 PolarHBondContact O-N 3.41Å; V597-Q600 PolarHBondContact O-N 3.41Å; V597-L601 VanDerWaalsContact O-CB 3.29Å; V597-L601 WeakPolarHBondContact O-CB 3.29Å; V597-L601 PolarHBondContact O-N 3.43Å |
| 598 | I | 82 | Confident | 73.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 174.1 | -64.8 | 170.2 | 0 | 0 | 0 | 110.2 | I579 A594 D595 Q600 L601 L602 I630 | I579-I598 WeakPolarHBondContact O-CD1 3.39Å; I579-I598 WeakPolarHBondContact O-CG1 3.27Å; A594-I598 WeakPolarHBondContact O-CG1 3.46Å; A594-I598 PolarHBondContact O-N 3.08Å; D595-I598 PolarHBondContact O-N 2.72Å; I598-Q600 VanDerWaalsContact C-N 3.29Å; I598-Q600 PolarHBondContact O-N 2.89Å; I598-L601 WeakPolarHBondContact O-CB 3.04Å; I598-L601 PolarHBondContact O-N 3.38Å; I598-L601 VanDerWaalsContact O-N 3.11Å; I598-L602 HydrophobicContact CG2-CD1 3.9Å; I598-L602 HydrophobicContact CG2-CG 4.05Å; I598-L602 VanDerWaalsContact O-CG 3.27Å; I598-L602 WeakPolarHBondContact O-CG 3.13Å; I598-L602 PolarHBondContact O-N 3.44Å; I598-I630 HydrophobicContact CG2-CD1 4.36Å |
| 599 | N | 83.4 | Confident | 74.6 | Confident | 74 Ų | 74 | 43 Ų | 43 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | -177.3 | -73.4 | -34.2 | 0 | 0 | 0 | 112 | D595 R596 T603 | D595-N599 VanDerWaalsContact O-CG 3.3Å; D595-N599 PolarHBondContact O-N 3.22Å; D595-N599 PolarHBondContact O-ND2 3.12Å; D595-N599 VanDerWaalsContact O-ND2 3.15Å; R596-N599 PolarHBondContact O-N 3.24Å; N599-T603 WeakPolarHBondContact O-CB 3.21Å; N599-T603 PolarHBondContact O-N 2.8Å; N599-T603 PolarHBondContact O-OG1 3.01Å |
| 600 | Q | 85.8 | Confident | 75 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 173.5 | -171.6 | 66.4 | 58 | 0 | 0 | 111.1 | E553 V556 R557 R596 V597 I598 L602 T603 E604 | E553-Q600 HydrophobicContact CB-CB 4.21Å; E553-Q600 HydrophobicContact CB-CG 4.06Å; E553-Q600 HydrophobicContact CG-CB 4.25Å; V556-Q600 HydrophobicContact CB-CB 4.43Å; V556-Q600 HydrophobicContact CB-CG 3.9Å; V556-Q600 HydrophobicContact CG1-CB 4.29Å; V556-Q600 HydrophobicContact CG1-CG 3.83Å; R557-Q600 HydrophobicContact CG-CG 4.32Å; R596-Q600 PolarHBondContact O-N 2.71Å; V597-Q600 PolarHBondContact O-N 3.41Å; I598-Q600 VanDerWaalsContact C-N 3.29Å; I598-Q600 PolarHBondContact O-N 2.89Å; Q600-L602 PolarHBondContact O-N 3.5Å; Q600-T603 WeakPolarHBondContact O-CB 3.47Å; Q600-T603 PolarHBondContact O-N 3.26Å; Q600-T603 VanDerWaalsContact O-N 3.16Å; Q600-E604 PolarHBondContact NE2-OE1 2.81Å; Q600-E604 WeakPolarHBondContact O-CG 3.29Å; Q600-E604 PolarHBondContact O-N 3.4Å |
| 601 | L | 87.5 | Confident | 75.4 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 176.4 | 179.9 | 64.5 | 0 | 0 | 0 | 111.2 | V556 F560 F573 L576 I579 V597 I598 T603 E604 M605 | V556-L601 HydrophobicContact CG1-CB 4.39Å; F560-L601 HydrophobicContact CE2-CD1 3.41Å; F560-L601 VanDerWaalsContact CE2-CD1 3.41Å; F560-L601 HydrophobicContact CZ-CD1 3.57Å; F573-L601 HydrophobicContact CE1-CD1 4.08Å; F573-L601 HydrophobicContact CE2-CD1 3.9Å; F573-L601 HydrophobicContact CZ-CD1 3.56Å; L576-L601 HydrophobicContact CD2-CD2 4.48Å; I579-L601 HydrophobicContact CD1-CD2 4.39Å; V597-L601 VanDerWaalsContact O-CB 3.29Å; V597-L601 WeakPolarHBondContact O-CB 3.29Å; V597-L601 PolarHBondContact O-N 3.43Å; I598-L601 WeakPolarHBondContact O-CB 3.04Å; I598-L601 PolarHBondContact O-N 3.38Å; I598-L601 VanDerWaalsContact O-N 3.11Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 3.46Å; L601-E604 PolarHBondContact O-N 3.11Å; L601-M605 HydrophobicContact CG-SD 4.25Å; L601-M605 VanDerWaalsContact O-CG 3.23Å; L601-M605 WeakPolarHBondContact O-CG 3.49Å; L601-M605 PolarHBondContact O-N 3.34Å |
| 602 | L | 86.2 | Confident | 75.7 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.7 | -67.6 | -179.8 | 0 | 0 | 0 | 111.8 | I598 Q600 E604 M605 D606 A629 I630 | I598-L602 HydrophobicContact CG2-CD1 3.9Å; I598-L602 HydrophobicContact CG2-CG 4.05Å; I598-L602 VanDerWaalsContact O-CG 3.27Å; I598-L602 WeakPolarHBondContact O-CG 3.13Å; I598-L602 PolarHBondContact O-N 3.44Å; Q600-L602 PolarHBondContact O-N 3.5Å; L602-E604 VanDerWaalsContact C-N 3.35Å; L602-E604 PolarHBondContact O-N 3.48Å; L602-M605 PolarHBondContact O-N 3.38Å; L602-D606 WeakPolarHBondContact O-CB 3.36Å; L602-D606 VanDerWaalsContact O-CG 3.25Å; L602-D606 PolarHBondContact O-N 2.93Å; L602-A629 HydrophobicContact CD1-CB 3.97Å; L602-I630 HydrophobicContact CD2-CB 4.36Å; L602-I630 HydrophobicContact CD2-CG1 3.59Å; L602-I630 HydrophobicContact CG-CG1 4.48Å |
| 603 | T | 85.3 | Confident | 76.1 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | N599 Q600 L601 G607 | N599-T603 WeakPolarHBondContact O-CB 3.21Å; N599-T603 PolarHBondContact O-N 2.8Å; N599-T603 PolarHBondContact O-OG1 3.01Å; Q600-T603 WeakPolarHBondContact O-CB 3.47Å; Q600-T603 PolarHBondContact O-N 3.26Å; Q600-T603 VanDerWaalsContact O-N 3.16Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 3.46Å; T603-G607 PolarHBondContact O-N 3.48Å |
| 604 | E | 87.1 | Confident | 77.1 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.9 | -69.7 | -51.3 | 129.3 | 0 | 0 | 112.4 | V556 R557 F560 R564 Q600 L601 L602 G607 M608 | V556-E604 HydrophobicContact CG1-CG 4.03Å; R557-E604 WeakPolarHBondContact CG-OE1 3.3Å; F560-E604 HydrophobicContact CB-CB 4.22Å; F560-E604 HydrophobicContact CB-CG 4.15Å; F560-E604 HydrophobicContact CD1-CB 3.58Å; F560-E604 HydrophobicContact CD1-CG 4.4Å; F560-E604 HydrophobicContact CD2-CB 3.71Å; F560-E604 HydrophobicContact CD2-CG 3.91Å; F560-E604 HydrophobicContact CE1-CB 3.69Å; F560-E604 HydrophobicContact CE2-CB 3.85Å; F560-E604 HydrophobicContact CE2-CG 4.38Å; F560-E604 HydrophobicContact CG-CB 3.56Å; F560-E604 HydrophobicContact CG-CG 3.9Å; F560-E604 HydrophobicContact CZ-CB 3.83Å; R564-E604 IonicContact CZ-OE2 3.02Å; R564-E604 IonicContact NH1-OE2 2.71Å; R564-E604 PolarHBondContact NH1-OE2 3.01Å; R564-E604 IonicContact NH2-OE2 3.26Å; R564-E604 PolarHBondContact NH2-OE2 3.15Å; Q600-E604 PolarHBondContact NE2-OE1 2.81Å; Q600-E604 WeakPolarHBondContact O-CG 3.29Å; Q600-E604 PolarHBondContact O-N 3.4Å; L601-E604 PolarHBondContact O-N 3.11Å; L602-E604 VanDerWaalsContact C-N 3.35Å; L602-E604 PolarHBondContact O-N 3.48Å; E604-G607 PolarHBondContact O-N 2.87Å; E604-M608 WeakPolarHBondContact O-CG 3.45Å; E604-M608 PolarHBondContact O-N 3.19Å; E604-M608 VanDerWaalsContact O-N 3.14Å |
| 605 | M | 85.8 | Confident | 78 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 177 | -69.1 | 178.4 | 79.8 | 0 | 0 | 112.3 | K509 F560 L601 L602 G607 M608 I616 R635 L636 | K509-M605 PolarHBondContact NZ-O 3.44Å; F560-M605 HydrophobicContact CE1-CG 4.2Å; F560-M605 HydrophobicContact CZ-CG 3.97Å; L601-M605 HydrophobicContact CG-SD 4.25Å; L601-M605 VanDerWaalsContact O-CG 3.23Å; L601-M605 WeakPolarHBondContact O-CG 3.49Å; L601-M605 PolarHBondContact O-N 3.34Å; L602-M605 PolarHBondContact O-N 3.38Å; M605-G607 VanDerWaalsContact C-N 3.35Å; M605-M608 WeakPolarHBondContact O-CB 3.44Å; M605-M608 PolarHBondContact O-N 2.96Å; M605-I616 HydrophobicContact CE-CD1 4.03Å; M605-I616 HydrophobicContact CE-CG2 4.47Å; M605-I616 HydrophobicContact CG-CD1 3.67Å; M605-R635 HydrophobicContact CB-CG 4.48Å; M605-R635 HydrophobicContact CE-CB 3.66Å; M605-R635 HydrophobicContact CE-CG 4.36Å; M605-R635 HydrophobicContact SD-CB 4.46Å; M605-L636 HydrophobicContact CE-CD2 3.73Å; M605-L636 HydrophobicContact CE-CG 3.86Å |
| 606 | D | 83.5 | Confident | 78.8 | Confident | 81 Ų | 81 | 47.8 Ų | 47.8 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 177.9 | -68.6 | -12.9 | 0 | 0 | 0 | 110.5 | L602 M608 R635 | L602-D606 WeakPolarHBondContact O-CB 3.36Å; L602-D606 VanDerWaalsContact O-CG 3.25Å; L602-D606 PolarHBondContact O-N 2.93Å; D606-M608 PolarHBondContact O-N 3.27Å; D606-R635 IonicContact OD1-CZ 3.87Å; D606-R635 IonicContact OD1-NE 3.57Å; D606-R635 PolarHBondContact OD1-NE 3.34Å; D606-R635 IonicContact OD1-NH2 3.79Å; D606-R635 PolarHBondContact OD1-NH2 2.98Å; D606-R635 IonicContact OD2-CZ 2.66Å; D606-R635 IonicContact OD2-NE 3.16Å; D606-R635 IonicContact OD2-NH2 2.78Å; D606-R635 PolarHBondContact OD2-NH2 3.43Å |
| 607 | G | 77.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.8 | -12.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T603 E604 M605 S609 | T603-G607 PolarHBondContact O-N 3.48Å; E604-G607 PolarHBondContact O-N 2.87Å; M605-G607 VanDerWaalsContact C-N 3.35Å; G607-S609 PolarHBondContact O-N 3.37Å; G607-S609 VanDerWaalsContact O-N 3.09Å |
| 608 | M | 72.7 | Confident | 80.2 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.069 | 25% | 0.253 | C | S | . | . | trans | -66.3 | 112.5 | 174.5 | -64.1 | -158.9 | -56.9 | 0 | 0 | 110.6 | K509 F560 E604 M605 D606 V614 I616 | K509-M608 WeakPolarHBondContact CE-O 3.16Å; K509-M608 PolarHBondContact NZ-O 3.44Å; F560-M608 HydrophobicContact CD1-CG 4.39Å; F560-M608 HydrophobicContact CD1-SD 4.14Å; F560-M608 HydrophobicContact CE1-CG 4.42Å; F560-M608 HydrophobicContact CE1-SD 4Å; E604-M608 WeakPolarHBondContact O-CG 3.45Å; E604-M608 PolarHBondContact O-N 3.19Å; E604-M608 VanDerWaalsContact O-N 3.14Å; M605-M608 WeakPolarHBondContact O-CB 3.44Å; M605-M608 PolarHBondContact O-N 2.96Å; D606-M608 PolarHBondContact O-N 3.27Å; M608-V614 HydrophobicContact SD-CB 4.2Å; M608-V614 HydrophobicContact SD-CG1 4.2Å; M608-I616 HydrophobicContact CE-CD1 3.27Å; M608-I616 HydrophobicContact CE-CG1 3.81Å; M608-I616 HydrophobicContact SD-CD1 3.92Å; M608-I616 HydrophobicContact SD-CG1 4.41Å | ||
| 609 | S | 61.7 | Low | 80.8 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 52% | 0.524 | 25% | 0.252 | S | S | . | . | trans | -70.3 | 139.4 | 169.4 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | G607 K611 K612 | G607-S609 PolarHBondContact O-N 3.37Å; G607-S609 VanDerWaalsContact O-N 3.09Å; S609-K611 PolarHBondContact O-N 3.43Å; S609-K612 PolarHBondContact O-N 3.14Å; S609-K612 VanDerWaalsContact O-N 3.07Å | ||
| 610 | A | 58.6 | Low | 81.2 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -11.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K612 | A610-K612 VanDerWaalsContact C-N 3.34Š|
| 611 | K | 56.4 | Low | 81.4 | Confident | 196 Ų | 196 | 41.1 Ų | 41.1 | 85% | 0.852 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.3 | 176.8 | -69.9 | -173 | 177.6 | -179.6 | 0 | 114.1 | S609 | S609-K611 PolarHBondContact O-N 3.43Š|
| 612 | K | 61.2 | Low | 81.4 | Confident | 85 Ų | 85 | 46.7 Ų | 46.7 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -97.9 | 119.8 | -179.2 | -62 | -162.2 | 175.9 | -161.4 | 0 | 108.7 | R564 S609 A610 V614 | R564-K612 HydrophobicContact CB-CD 3.89Å; R564-K612 HydrophobicContact CG-CD 3.6Å; S609-K612 PolarHBondContact O-N 3.14Å; S609-K612 VanDerWaalsContact O-N 3.07Å; A610-K612 VanDerWaalsContact C-N 3.34Å; K612-V614 PolarHBondContact O-N 2.95Å |
| 613 | N | 75.2 | Confident | 81.4 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | trans | -75 | 57.5 | -178.9 | -66.8 | -3.6 | 0 | 0 | 0 | 111.4 | P568 C569 | P568-N613 WeakPolarHBondContact CA-O 3.49Å; P568-N613 HydrophobicContact CB-CB 4.13Å; C569-N613 PolarHBondContact N-O 3.36Å | ||
| 614 | V | 84.9 | Confident | 81.4 | Confident | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.2 | 173.7 | -177 | 0 | 0 | 0 | 0 | 108 | A563 R564 A567 C569 L571 M608 K612 | A563-V614 HydrophobicContact CB-CG1 3.97Å; A563-V614 HydrophobicContact CB-CG2 4.47Å; A563-V614 WeakPolarHBondContact O-CG2 3.45Å; R564-V614 HydrophobicContact CG-CG2 4.28Å; A567-V614 HydrophobicContact CB-CG2 4.22Å; C569-V614 VanDerWaalsContact O-CA 3.31Å; C569-V614 WeakPolarHBondContact O-CA 3.29Å; L571-V614 HydrophobicContact CB-CG1 4.22Å; M608-V614 HydrophobicContact SD-CB 4.2Å; M608-V614 HydrophobicContact SD-CG1 4.2Å; K612-V614 PolarHBondContact O-N 2.95Å |
| 615 | F | 89.3 | Confident | 81.3 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.7 | 178.3 | -172.9 | -100.9 | 0 | 0 | 0 | 109.9 | V490 V511 C569 V570 L571 I617 | V490-F615 HydrophobicContact CG1-CB 4.42Å; V490-F615 HydrophobicContact CG1-CD1 4.27Å; V490-F615 HydrophobicContact CG1-CG 4.19Å; V490-F615 HydrophobicContact CG2-CD1 3.56Å; V490-F615 HydrophobicContact CG2-CD2 4.1Å; V490-F615 HydrophobicContact CG2-CE1 3.27Å; V490-F615 HydrophobicContact CG2-CE2 3.86Å; V490-F615 HydrophobicContact CG2-CG 3.96Å; V490-F615 HydrophobicContact CG2-CZ 3.45Å; V490-F615 VanDerWaalsContact CG2-CZ 3.45Å; V511-F615 HydrophobicContact CB-CZ 4.23Å; V511-F615 HydrophobicContact CG1-CE1 3.68Å; V511-F615 HydrophobicContact CG1-CZ 3.88Å; C569-F615 PolarHBondContact O-N 3.18Å; V570-F615 CarbonylContact C-O 3.59Å; V570-F615 WeakPolarHBondContact CA-O 3.35Å; L571-F615 PolarHBondContact N-O 3.36Å; F615-I617 HydrophobicContact CD1-CD1 4.21Å; F615-I617 HydrophobicContact CD1-CG1 3.76Å; F615-I617 HydrophobicContact CE1-CD1 4.15Å; F615-I617 HydrophobicContact CE1-CG1 3.67Å |
| 616 | I | 92.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.7 | -175.1 | -55.8 | 178.2 | 0 | 0 | 0 | 110.4 | K509 G510 V511 F560 L571 F573 M605 M608 L636 | K509-I616 PolarHBondContact O-N 3.26Å; G510-I616 CarbonylContact C-O 3.58Å; G510-I616 WeakPolarHBondContact CA-O 3.36Å; V511-I616 PolarHBondContact N-O 3.08Å; F560-I616 HydrophobicContact CE1-CD1 3.69Å; F560-I616 HydrophobicContact CZ-CD1 3.97Å; L571-I616 HydrophobicContact CB-CG1 4.44Å; L571-I616 HydrophobicContact CD2-CG1 4.47Å; L571-I616 CarbonylContact O-C 3.55Å; L571-I616 WeakPolarHBondContact O-CA 3.36Å; F573-I616 HydrophobicContact CD2-CG2 3.81Å; F573-I616 HydrophobicContact CE2-CG2 3.88Å; M605-I616 HydrophobicContact CE-CD1 4.03Å; M605-I616 HydrophobicContact CE-CG2 4.47Å; M605-I616 HydrophobicContact CG-CD1 3.67Å; M608-I616 HydrophobicContact CE-CD1 3.27Å; M608-I616 HydrophobicContact CE-CG1 3.81Å; M608-I616 HydrophobicContact SD-CD1 3.92Å; M608-I616 HydrophobicContact SD-CG1 4.41Å; I616-L636 HydrophobicContact CB-CD2 4.23Å; I616-L636 HydrophobicContact CG2-CD2 3.81Å |
| 617 | I | 94.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120 | 172.6 | -57.2 | -177 | 0 | 0 | 0 | 108 | V511 F513 A525 I528 V570 L571 F572 F573 F615 | V511-I617 HydrophobicContact CG1-CB 4.26Å; V511-I617 HydrophobicContact CG1-CD1 4.5Å; V511-I617 HydrophobicContact CG1-CG1 3.81Å; V511-I617 HydrophobicContact CG1-CG2 4.11Å; V511-I617 CarbonylContact O-C 3.56Å; V511-I617 WeakPolarHBondContact O-CA 3.42Å; F513-I617 HydrophobicContact CD2-CG2 3.63Å; F513-I617 HydrophobicContact CE1-CG2 4.32Å; F513-I617 HydrophobicContact CE2-CD1 4.38Å; F513-I617 HydrophobicContact CE2-CG2 3.4Å; F513-I617 VanDerWaalsContact CE2-CG2 3.4Å; F513-I617 HydrophobicContact CG-CG2 4.18Å; F513-I617 HydrophobicContact CZ-CD1 4.24Å; F513-I617 HydrophobicContact CZ-CG2 3.76Å; A525-I617 HydrophobicContact CB-CD1 4.01Å; A525-I617 HydrophobicContact CB-CG2 4.21Å; I528-I617 HydrophobicContact CG2-CD1 3.72Å; V570-I617 HydrophobicContact CG1-CD1 3.53Å; V570-I617 HydrophobicContact CG1-CG1 3.91Å; L571-I617 PolarHBondContact O-N 2.74Å; F572-I617 CarbonylContact C-O 3.56Å; F572-I617 VanDerWaalsContact CA-O 3.27Å; F572-I617 WeakPolarHBondContact CA-O 3.49Å; F572-I617 HydrophobicContact CD2-CB 3.83Å; F572-I617 HydrophobicContact CD2-CG2 3.56Å; F572-I617 HydrophobicContact CE2-CG2 3.83Å; F573-I617 PolarHBondContact N-O 2.8Å; F615-I617 HydrophobicContact CD1-CD1 4.21Å; F615-I617 HydrophobicContact CD1-CG1 3.76Å; F615-I617 HydrophobicContact CE1-CD1 4.15Å; F615-I617 HydrophobicContact CE1-CG1 3.67Å |
| 618 | G | 93.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 144.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V511 L512 F513 F573 | V511-G618 PolarHBondContact O-N 2.94Å; L512-G618 CarbonylContact C-O 3.46Å; L512-G618 WeakPolarHBondContact CA-O 3.04Å; F513-G618 PolarHBondContact N-O 2.88Å; F573-G618 CarbonylContact O-C 3.53Å |
| 619 | A | 93.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F513 K521 F572 F573 E575 L576 | F513-A619 HydrophobicContact CB-CB 4.48Å; F513-A619 WeakPolarHBondContact O-CA 3.32Å; K521-A619 HydrophobicContact CB-CB 4.2Å; K521-A619 HydrophobicContact CD-CB 4.1Å; F572-A619 HydrophobicContact CE2-CB 3.54Å; F572-A619 HydrophobicContact CZ-CB 3.5Å; F572-A619 VanDerWaalsContact CZ-CB 3.5Å; F573-A619 PolarHBondContact O-N 2.89Å; E575-A619 PolarHBondContact N-O 2.98Å; L576-A619 PolarHBondContact N-O 3.35Å |
| 620 | T | 92 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.6 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | L512 F513 Y514 D577 R622 P623 I626 | L512-T620 HydrophobicContact CD1-CG2 4.01Å; L512-T620 HydrophobicContact CD2-CG2 4.26Å; L512-T620 HydrophobicContact CG-CG2 4.33Å; F513-T620 PolarHBondContact O-N 3.4Å; Y514-T620 WeakPolarHBondContact CA-O 3.29Å; D577-T620 WeakPolarHBondContact CB-OG1 3.36Å; D577-T620 VanDerWaalsContact CG-OG1 3.24Å; D577-T620 PolarHBondContact OD1-OG1 2.58Å; T620-R622 PolarHBondContact OG1-N 3.15Å; T620-P623 HydrophobicContact CG2-CB 4.04Å; T620-I626 HydrophobicContact CG2-CD1 4.37Å; T620-I626 HydrophobicContact CG2-CG1 4.05Å |
| 621 | N | 89.3 | Confident | 84.9 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -95.2 | -9.8 | 167 | -60.8 | -53.9 | 0 | 0 | 0 | 111.6 | G515 P517 K521 P623 Y751 | G515-N621 PolarHBondContact O-OD1 3.44Å; P517-N621 WeakPolarHBondContact CA-OD1 3.38Å; K521-N621 WeakPolarHBondContact CE-OD1 3.22Å; K521-N621 PolarHBondContact NZ-OD1 2.86Å; N621-P623 WeakPolarHBondContact O-CD 3.22Å; N621-Y751 WeakPolarHBondContact O-CE1 3.44Å; N621-Y751 PolarHBondContact O-OH 3.34Å |
| 622 | R | 87.2 | Confident | 86.3 | Confident | 120 Ų | 120 | 35.9 Ų | 35.9 | 45% | 0.453 | 18% | 0.177 | S | C | . | . | trans | -129.6 | 69.4 | -174.5 | -65.7 | -63.3 | -58.2 | -97.5 | -3.8 | 110.2 | D577 T620 D624 I625 | D577-R622 HydrophobicContact CB-CB 3.87Å; T620-R622 PolarHBondContact OG1-N 3.15Å; R622-D624 VanDerWaalsContact C-OD1 3.25Å; R622-D624 WeakPolarHBondContact CA-OD1 3.35Å; R622-D624 IonicContact CZ-OD1 2.64Å; R622-D624 IonicContact CZ-OD2 3.61Å; R622-D624 IonicContact NE-OD1 3.94Å; R622-D624 PolarHBondContact NE-OD1 3.19Å; R622-D624 IonicContact NE-OD2 2.8Å; R622-D624 IonicContact NH2-OD1 3.3Å; R622-D624 IonicContact NH2-OD2 3.98Å; R622-D624 PolarHBondContact NH2-OD2 3.31Å; R622-D624 PolarHBondContact O-N 3.43Å; R622-I625 HydrophobicContact CB-CD1 3.78Å; R622-I625 HydrophobicContact CB-CG1 3.73Å; R622-I625 HydrophobicContact CG-CD1 4.49Å; R622-I625 WeakPolarHBondContact O-CG1 3.15Å; R622-I625 PolarHBondContact O-N 3.47Å | ||
| 623 | P | 86.6 | Confident | 87.3 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -69 | -16 | -176.9 | 34.1 | -39.5 | 0 | 0 | 0 | 112.6 | Y514 T620 N621 I625 I626 Y751 F754 | Y514-P623 HydrophobicContact CD2-CB 4.32Å; Y514-P623 HydrophobicContact CD2-CG 4.06Å; Y514-P623 HydrophobicContact CG-CB 4.25Å; Y514-P623 HydrophobicContact CG-CG 4.42Å; T620-P623 HydrophobicContact CG2-CB 4.04Å; N621-P623 WeakPolarHBondContact O-CD 3.22Å; P623-I625 VanDerWaalsContact C-N 3.26Å; P623-I625 PolarHBondContact O-N 3.35Å; P623-I626 PolarHBondContact O-N 3.11Å; P623-Y751 HydrophobicContact CG-CD1 4.46Å; P623-Y751 HydrophobicContact CG-CE1 4.47Å; P623-F754 HydrophobicContact CB-CD1 4.02Å; P623-F754 HydrophobicContact CB-CE1 3.37Å; P623-F754 HydrophobicContact CB-CE2 4.33Å; P623-F754 HydrophobicContact CB-CZ 3.58Å; P623-F754 HydrophobicContact CG-CD1 3.73Å; P623-F754 HydrophobicContact CG-CE1 3.64Å; P623-F754 HydrophobicContact CG-CE2 4.49Å; P623-F754 HydrophobicContact CG-CG 4.2Å; P623-F754 HydrophobicContact CG-CZ 4.07Å |
| 624 | D | 85.3 | Confident | 87.6 | Confident | 93 Ų | 93 | 34.1 Ų | 34.1 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -63.4 | -26.6 | 175.6 | 57.7 | -52.7 | 0 | 0 | 0 | 113.9 | R622 | R622-D624 VanDerWaalsContact C-OD1 3.25Å; R622-D624 WeakPolarHBondContact CA-OD1 3.35Å; R622-D624 IonicContact CZ-OD1 2.64Å; R622-D624 IonicContact CZ-OD2 3.61Å; R622-D624 IonicContact NE-OD1 3.94Å; R622-D624 PolarHBondContact NE-OD1 3.19Å; R622-D624 IonicContact NE-OD2 2.8Å; R622-D624 IonicContact NH2-OD1 3.3Å; R622-D624 IonicContact NH2-OD2 3.98Å; R622-D624 PolarHBondContact NH2-OD2 3.31Å; R622-D624 PolarHBondContact O-N 3.43Å |
| 625 | I | 85.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -106 | -1.7 | -176.8 | 60.1 | 171 | 0 | 0 | 0 | 113.6 | D577 K581 A582 R622 P623 | D577-I625 HydrophobicContact CB-CD1 3.76Å; D577-I625 HydrophobicContact CB-CG1 4.08Å; K581-I625 CarbonylContact C-O 3.47Å; K581-I625 VanDerWaalsContact CA-O 3.31Å; K581-I625 WeakPolarHBondContact CA-O 3.27Å; K581-I625 HydrophobicContact CG-CD1 4.15Å; A582-I625 PolarHBondContact N-O 2.85Å; R622-I625 HydrophobicContact CB-CD1 3.78Å; R622-I625 HydrophobicContact CB-CG1 3.73Å; R622-I625 HydrophobicContact CG-CD1 4.49Å; R622-I625 WeakPolarHBondContact O-CG1 3.15Å; R622-I625 PolarHBondContact O-N 3.47Å; P623-I625 VanDerWaalsContact C-N 3.26Å; P623-I625 PolarHBondContact O-N 3.35Å |
| 626 | I | 86.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 133.5 | -177.8 | -66.6 | -65.5 | 0 | 0 | 0 | 110.7 | L512 L576 D577 A580 T620 P623 G628 L631 | L512-I626 HydrophobicContact CD2-CG2 4.5Å; L576-I626 HydrophobicContact CB-CD1 4.11Å; D577-I626 HydrophobicContact CB-CD1 4.12Å; A580-I626 HydrophobicContact CB-CD1 4.04Å; A580-I626 CarbonylContact O-C 3.14Å; A580-I626 WeakPolarHBondContact O-CA 3.35Å; T620-I626 HydrophobicContact CG2-CD1 4.37Å; T620-I626 HydrophobicContact CG2-CG1 4.05Å; P623-I626 PolarHBondContact O-N 3.11Å; I626-G628 PolarHBondContact O-N 3.42Å; I626-L631 HydrophobicContact CG2-CD1 4.45Å; I626-L631 HydrophobicContact CG2-CD2 4.03Å; I626-L631 HydrophobicContact CG2-CG 4.27Å |
| 627 | D | 84.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 6% | 0.059 | 19% | 0.189 | C | C | . | . | trans | -61.6 | 119.2 | 174.4 | -167.4 | -46.9 | 0 | 0 | 0 | 110.9 | A580 R583 A629 I630 | A580-D627 PolarHBondContact O-N 2.86Å; R583-D627 IonicContact CZ-OD2 3.5Å; R583-D627 VanDerWaalsContact CZ-OD2 3.26Å; R583-D627 IonicContact NE-OD2 3.21Å; R583-D627 PolarHBondContact NE-OD2 3.4Å; R583-D627 IonicContact NH2-OD1 2.82Å; R583-D627 PolarHBondContact NH2-OD1 3.37Å; R583-D627 IonicContact NH2-OD2 3.18Å; R583-D627 PolarHBondContact NH2-OD2 2.97Å; D627-A629 PolarHBondContact O-N 2.94Å; D627-A629 WeakPolarHBondContact OD1-CB 3.45Å; D627-A629 PolarHBondContact OD1-N 3.3Å; D627-I630 PolarHBondContact O-N 3.37Å | ||
| 628 | G | 83.6 | Confident | 87 | Confident | 41 Ų | 41 | 38.1 Ų | 38.1 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | I626 I630 L631 | I626-G628 PolarHBondContact O-N 3.42Å; G628-I630 VanDerWaalsContact C-N 3.29Å; G628-I630 PolarHBondContact O-N 2.99Å; G628-L631 PolarHBondContact O-N 3.36Å |
| 629 | A | 86.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L602 D627 L631 R635 | L602-A629 HydrophobicContact CD1-CB 3.97Å; D627-A629 PolarHBondContact O-N 2.94Å; D627-A629 WeakPolarHBondContact OD1-CB 3.45Å; D627-A629 PolarHBondContact OD1-N 3.3Å; A629-L631 PolarHBondContact O-N 3.44Å; A629-R635 WeakPolarHBondContact O-CD 3.38Å; A629-R635 PolarHBondContact O-NH1 3.24Å |
| 630 | I | 87 | Confident | 86.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.5 | 179 | -66.6 | 165.4 | 0 | 0 | 0 | 111.3 | A580 I598 L602 D627 G628 R632 R635 L636 | A580-I630 HydrophobicContact CB-CD1 3.44Å; A580-I630 VanDerWaalsContact CB-CD1 3.44Å; I598-I630 HydrophobicContact CG2-CD1 4.36Å; L602-I630 HydrophobicContact CD2-CB 4.36Å; L602-I630 HydrophobicContact CD2-CG1 3.59Å; L602-I630 HydrophobicContact CG-CG1 4.48Å; D627-I630 PolarHBondContact O-N 3.37Å; G628-I630 VanDerWaalsContact C-N 3.29Å; G628-I630 PolarHBondContact O-N 2.99Å; I630-R632 VanDerWaalsContact C-N 3.34Å; I630-R632 PolarHBondContact O-N 2.93Å; I630-R635 WeakPolarHBondContact O-CB 3.41Å; I630-L636 HydrophobicContact CG2-CB 4.18Å; I630-L636 HydrophobicContact CG2-CD1 3.56Å; I630-L636 HydrophobicContact CG2-CG 3.75Å; I630-L636 PolarHBondContact O-N 2.99Å |
| 631 | L | 87 | Confident | 86.7 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.6 | -175.7 | -49.8 | -175.9 | 0 | 0 | 0 | 114.4 | L512 I626 G628 A629 L639 | L512-L631 HydrophobicContact CD2-CD2 3.38Å; I626-L631 HydrophobicContact CG2-CD1 4.45Å; I626-L631 HydrophobicContact CG2-CD2 4.03Å; I626-L631 HydrophobicContact CG2-CG 4.27Å; G628-L631 PolarHBondContact O-N 3.36Å; A629-L631 PolarHBondContact O-N 3.44Å; L631-L639 HydrophobicContact CD1-CD2 4.41Å; L631-L639 HydrophobicContact CD2-CD2 4.17Å |
| 632 | R | 85.9 | Confident | 86.8 | Confident | 138 Ų | 138 | 40 Ų | 40 | 52% | 0.521 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -73.6 | 153.1 | -177.5 | -67.5 | -178.5 | -171.8 | 151.5 | 1.7 | 111.6 | I630 G634 R635 | I630-R632 VanDerWaalsContact C-N 3.34Å; I630-R632 PolarHBondContact O-N 2.93Å; R632-G634 PolarHBondContact O-N 3.14Å; R632-R635 WeakPolarHBondContact O-CB 3.41Å; R632-R635 PolarHBondContact O-N 3.07Å; R632-R635 VanDerWaalsContact O-N 3.12Å |
| 633 | P | 82.7 | Confident | 87.1 | Confident | 113 Ų | 113 | 36.5 Ų | 36.5 | 73% | 0.734 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 134.7 | 173.4 | -30.2 | 37 | 0 | 0 | 0 | 113.2 | ||
| 634 | G | 81.1 | Confident | 87.3 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 2.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K509 R632 D637 | K509-G634 WeakPolarHBondContact CD-O 3.46Å; R632-G634 PolarHBondContact O-N 3.14Å; G634-D637 PolarHBondContact N-OD2 3.48Å |
| 635 | R | 88.8 | Confident | 87.7 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 11% | 0.106 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -121 | -117.5 | 176.5 | -62.9 | 171.9 | 179.2 | -179 | -4 | 110.3 | G510 M605 D606 A629 I630 R632 D637 | G510-R635 PolarHBondContact N-O 3.33Å; G510-R635 VanDerWaalsContact N-O 3.16Å; M605-R635 HydrophobicContact CB-CG 4.48Å; M605-R635 HydrophobicContact CE-CB 3.66Å; M605-R635 HydrophobicContact CE-CG 4.36Å; M605-R635 HydrophobicContact SD-CB 4.46Å; D606-R635 IonicContact OD1-CZ 3.87Å; D606-R635 IonicContact OD1-NE 3.57Å; D606-R635 PolarHBondContact OD1-NE 3.34Å; D606-R635 IonicContact OD1-NH2 3.79Å; D606-R635 PolarHBondContact OD1-NH2 2.98Å; D606-R635 IonicContact OD2-CZ 2.66Å; D606-R635 IonicContact OD2-NE 3.16Å; D606-R635 IonicContact OD2-NH2 2.78Å; D606-R635 PolarHBondContact OD2-NH2 3.43Å; A629-R635 WeakPolarHBondContact O-CD 3.38Å; A629-R635 PolarHBondContact O-NH1 3.24Å; I630-R635 WeakPolarHBondContact O-CB 3.41Å; R632-R635 WeakPolarHBondContact O-CB 3.41Å; R632-R635 PolarHBondContact O-N 3.07Å; R632-R635 VanDerWaalsContact O-N 3.12Å; R635-D637 VanDerWaalsContact C-N 3.26Å; R635-D637 PolarHBondContact O-N 3.4Å |
| 636 | L | 89.5 | Confident | 88.1 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -91.1 | 67.1 | 167.2 | -56.4 | -171.8 | 0 | 0 | 0 | 108.8 | L512 L576 M605 I616 I630 | L512-L636 HydrophobicContact CB-CB 4.1Å; L512-L636 HydrophobicContact CB-CD1 4.06Å; L512-L636 HydrophobicContact CD1-CD1 3.99Å; L576-L636 HydrophobicContact CD1-CD1 3.76Å; M605-L636 HydrophobicContact CE-CD2 3.73Å; M605-L636 HydrophobicContact CE-CG 3.86Å; I616-L636 HydrophobicContact CB-CD2 4.23Å; I616-L636 HydrophobicContact CG2-CD2 3.81Å; I630-L636 HydrophobicContact CG2-CB 4.18Å; I630-L636 HydrophobicContact CG2-CD1 3.56Å; I630-L636 HydrophobicContact CG2-CG 3.75Å; I630-L636 PolarHBondContact O-N 2.99Å |
| 637 | D | 83.5 | Confident | 88.4 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | trans | -83.9 | -18.7 | -172 | 59 | 11 | 0 | 0 | 0 | 113.3 | G510 G634 R635 R762 | G510-D637 PolarHBondContact O-N 3.41Å; G634-D637 PolarHBondContact N-OD2 3.48Å; R635-D637 VanDerWaalsContact C-N 3.26Å; R635-D637 PolarHBondContact O-N 3.4Å; D637-R762 VanDerWaalsContact O-CZ 3.24Å; D637-R762 PolarHBondContact O-NH1 2.92Å; D637-R762 PolarHBondContact O-NH2 3.44Å | ||
| 638 | Q | 88 | Confident | 88.8 | Confident | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.9 | 168.4 | -58.1 | -57.4 | -31.9 | 0 | 0 | 110.2 | L489 G510 V511 L512 | L489-Q638 HydrophobicContact CD1-CB 4.02Å; L489-Q638 HydrophobicContact CD1-CG 3.81Å; L489-Q638 HydrophobicContact CD2-CG 3.8Å; L489-Q638 HydrophobicContact CG-CG 4.47Å; G510-Q638 PolarHBondContact O-N 2.99Å; V511-Q638 CarbonylContact C-O 3.49Å; V511-Q638 VanDerWaalsContact CA-O 3.27Å; V511-Q638 WeakPolarHBondContact CA-O 3.14Å; V511-Q638 HydrophobicContact CB-CB 3.95Å; V511-Q638 HydrophobicContact CG2-CB 3.79Å; V511-Q638 WeakPolarHBondContact CG2-O 3.44Å; L512-Q638 PolarHBondContact N-O 3.21Å |
| 639 | L | 88.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 110.9 | -179.5 | -77.2 | 129 | 0 | 0 | 0 | 108.3 | L512 Y514 L631 L758 | L512-L639 HydrophobicContact CB-CD2 4.33Å; L512-L639 HydrophobicContact CD2-CD2 3.97Å; Y514-L639 HydrophobicContact CD1-CD2 4.34Å; Y514-L639 HydrophobicContact CE1-CB 4.03Å; Y514-L639 HydrophobicContact CE1-CD2 4.33Å; L631-L639 HydrophobicContact CD1-CD2 4.41Å; L631-L639 HydrophobicContact CD2-CD2 4.17Å; L639-L758 HydrophobicContact CD1-CD2 4.18Å; L639-L758 HydrophobicContact CD2-CD1 4.03Å |
| 640 | I | 91.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.7 | -177.2 | -63.9 | -174.4 | 0 | 0 | 0 | 109 | V482 E485 L486 L489 V511 L512 F513 Y514 | V482-I640 HydrophobicContact CB-CG2 4.33Å; V482-I640 HydrophobicContact CG1-CG2 3.59Å; V482-I640 HydrophobicContact CG2-CG2 3.93Å; E485-I640 HydrophobicContact CB-CD1 4.45Å; E485-I640 HydrophobicContact CG-CD1 3.94Å; L486-I640 HydrophobicContact CD2-CD1 4Å; L486-I640 HydrophobicContact CG-CD1 4.2Å; L489-I640 HydrophobicContact CD1-CD1 4.31Å; V511-I640 HydrophobicContact CG2-CB 4.17Å; V511-I640 HydrophobicContact CG2-CD1 3.66Å; V511-I640 HydrophobicContact CG2-CG1 3.63Å; L512-I640 PolarHBondContact O-N 3.17Å; F513-I640 WeakPolarHBondContact CA-O 3.11Å; F513-I640 HydrophobicContact CD1-CB 4.02Å; F513-I640 HydrophobicContact CD1-CG2 4.39Å; F513-I640 HydrophobicContact CE1-CB 4.31Å; F513-I640 HydrophobicContact CE1-CD1 4.22Å; Y514-I640 WeakPolarHBondContact CD1-O 3.47Å; Y514-I640 PolarHBondContact N-O 3.02Å; Y514-I640 VanDerWaalsContact N-O 3.08Å |
| 641 | Y | 91.6 | Very high | 90.1 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125 | 172.6 | 179 | -133 | 0 | 0 | 0 | 110.3 | Y514 P643 Y751 A755 | Y514-Y641 AromaticContact CD2-CD2 3.87Å; Y514-Y641 HydrophobicContact CD2-CD2 3.87Å; Y514-Y641 AromaticContact CE2-CD2 3.59Å; Y514-Y641 HydrophobicContact CE2-CD2 3.59Å; Y514-Y641 AromaticContact CE2-CG 3.99Å; Y514-Y641 HydrophobicContact CE2-CG 3.99Å; Y514-Y641 WeakPolarHBondContact O-CA 3.41Å; Y514-Y641 WeakPolarHBondContact O-CD2 3.43Å; Y641-P643 HydrophobicContact CD1-CB 4.27Å; Y641-P643 HydrophobicContact CE1-CB 3.64Å; Y641-P643 HydrophobicContact CE1-CG 4.49Å; Y641-P643 VanDerWaalsContact O-CD 3.3Å; Y641-P643 WeakPolarHBondContact O-CD 3.44Å; Y641-Y751 HydrophobicContact CE2-CG 4.36Å; Y641-A755 HydrophobicContact CD1-CB 4.29Å; Y641-A755 HydrophobicContact CG-CB 4.28Å |
| 642 | I | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -103.3 | 101.7 | 172 | -51.8 | -159.8 | 0 | 0 | 0 | 109 | L479 F513 Y514 P516 C519 K521 L524 | L479-I642 HydrophobicContact CD1-CG2 3.88Å; L479-I642 HydrophobicContact CD2-CG2 4.28Å; F513-I642 HydrophobicContact CB-CD1 4.17Å; F513-I642 HydrophobicContact CB-CG1 4.49Å; F513-I642 HydrophobicContact CD2-CD1 4.24Å; F513-I642 HydrophobicContact CG-CD1 4.08Å; Y514-I642 PolarHBondContact O-N 2.71Å; P516-I642 WeakPolarHBondContact CD-O 3.46Å; C519-I642 HydrophobicContact CB-CG2 3.96Å; C519-I642 WeakPolarHBondContact O-CG2 3.38Å; K521-I642 HydrophobicContact CB-CD1 4.37Å; K521-I642 HydrophobicContact CG-CD1 3.71Å; K521-I642 HydrophobicContact CG-CG1 4.33Å; L524-I642 HydrophobicContact CD2-CD1 3.55Å | ||
| 643 | P | 92.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 38 Ų | 38 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 173.4 | -178.7 | 31.9 | -36.6 | 0 | 0 | 0 | 113 | L479 Y641 | L479-P643 HydrophobicContact CD2-CG 4.16Å; Y641-P643 HydrophobicContact CD1-CB 4.27Å; Y641-P643 HydrophobicContact CE1-CB 3.64Å; Y641-P643 HydrophobicContact CE1-CG 4.49Å; Y641-P643 VanDerWaalsContact O-CD 3.3Å; Y641-P643 WeakPolarHBondContact O-CD 3.44Å |
| 644 | L | 92.2 | Very high | 91.3 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 147.4 | 162.4 | -76.9 | 173 | 0 | 0 | 0 | 110.4 | P516 D646 V743 V748 | P516-L644 HydrophobicContact CG-CD2 4.44Å; P516-L644 HydrophobicContact CG-CG 4.16Å; L644-D646 PolarHBondContact O-N 3.29Å; L644-V743 HydrophobicContact CD1-CB 4.48Å; L644-V743 HydrophobicContact CD1-CG1 4.4Å; L644-V743 HydrophobicContact CD2-CB 4.41Å; L644-V743 HydrophobicContact CD2-CG2 4.24Å; L644-V748 HydrophobicContact CD1-CG2 3.4Å; L644-V748 VanDerWaalsContact CD1-CG2 3.4Å; L644-V748 HydrophobicContact CG-CG2 4.43Å |
| 645 | P | 93.5 | Very high | 91.9 | Very high | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -67 | 132.2 | -177.4 | 27.3 | -35.1 | 0 | 0 | 0 | 112.4 | R650 I653 F679 | P645-R650 HydrophobicContact CB-CG 3.79Å; P645-R650 HydrophobicContact CG-CG 3.75Å; P645-R650 PolarHBondContact O-NH1 3.1Å; P645-I653 HydrophobicContact CB-CD1 3.69Å; P645-I653 HydrophobicContact CG-CD1 3.96Å; P645-F679 WeakPolarHBondContact CD-O 3.34Å; P645-F679 VanDerWaalsContact CG-O 3.3Å; P645-F679 WeakPolarHBondContact CG-O 3.26Å |
| 646 | D | 92.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 36.8 Ų | 36.8 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | trans | -69.2 | 174.5 | 166.7 | 70 | 5.4 | 0 | 0 | 0 | 111.5 | L644 A648 S649 R650 | L644-D646 PolarHBondContact O-N 3.29Å; D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.97Å; D646-A648 PolarHBondContact OD1-N 3.47Å; D646-S649 PolarHBondContact O-N 3.28Å; D646-S649 WeakPolarHBondContact OD1-CB 3.38Å; D646-S649 PolarHBondContact OD1-N 2.85Å; D646-S649 PolarHBondContact OD1-OG 3.35Å; D646-R650 VanDerWaalsContact C-NH1 3.3Å; D646-R650 VanDerWaalsContact O-CG 3.31Å; D646-R650 WeakPolarHBondContact O-CG 3.3Å; D646-R650 PolarHBondContact O-N 3.45Å | ||
| 647 | E | 94 | Very high | 91.9 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -43.3 | -175.4 | -172 | 176.3 | 149.7 | 0 | 0 | 112.8 | R650 V651 K674 | E647-R650 PolarHBondContact O-N 3.06Å; E647-V651 WeakPolarHBondContact O-CG2 3.3Å; E647-V651 PolarHBondContact O-N 3.47Å; E647-V651 VanDerWaalsContact O-N 3.08Å; E647-K674 HydrophobicContact CG-CG 4.42Å; E647-K674 WeakPolarHBondContact OE1-CE 3.26Å; E647-K674 WeakPolarHBondContact OE1-CG 3.49Å |
| 648 | A | 92.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 50% | 0.504 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | D646 R650 V651 N652 | D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.97Å; D646-A648 PolarHBondContact OD1-N 3.47Å; A648-R650 VanDerWaalsContact C-N 3.34Å; A648-R650 PolarHBondContact O-N 3.43Å; A648-V651 PolarHBondContact O-N 2.92Å; A648-N652 PolarHBondContact O-N 2.98Å; A648-N652 VanDerWaalsContact O-N 3.11Å |
| 649 | S | 92.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111 | G478 D646 V651 N652 I653 | G478-S649 WeakPolarHBondContact CA-OG 3.11Å; D646-S649 PolarHBondContact O-N 3.28Å; D646-S649 WeakPolarHBondContact OD1-CB 3.38Å; D646-S649 PolarHBondContact OD1-N 2.85Å; D646-S649 PolarHBondContact OD1-OG 3.35Å; S649-V651 PolarHBondContact O-N 3.48Å; S649-N652 PolarHBondContact O-N 2.78Å; S649-I653 VanDerWaalsContact O-CG1 3.24Å; S649-I653 WeakPolarHBondContact O-CG1 3.2Å; S649-I653 PolarHBondContact O-N 3.11Å |
| 650 | R | 95.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.7 | -65.8 | -163.5 | -61.2 | -78.6 | 0.2 | 112.4 | P645 D646 E647 A648 N652 I653 L654 A673 T676 L684 | P645-R650 HydrophobicContact CB-CG 3.79Å; P645-R650 HydrophobicContact CG-CG 3.75Å; P645-R650 PolarHBondContact O-NH1 3.1Å; D646-R650 VanDerWaalsContact C-NH1 3.3Å; D646-R650 VanDerWaalsContact O-CG 3.31Å; D646-R650 WeakPolarHBondContact O-CG 3.3Å; D646-R650 PolarHBondContact O-N 3.45Å; E647-R650 PolarHBondContact O-N 3.06Å; A648-R650 VanDerWaalsContact C-N 3.34Å; A648-R650 PolarHBondContact O-N 3.43Å; R650-N652 VanDerWaalsContact C-N 3.31Å; R650-N652 PolarHBondContact O-N 3.07Å; R650-I653 PolarHBondContact O-N 3Å; R650-L654 WeakPolarHBondContact O-CB 3.31Å; R650-L654 VanDerWaalsContact O-CG 3.29Å; R650-L654 WeakPolarHBondContact O-CG 3.37Å; R650-L654 PolarHBondContact O-N 3.29Å; R650-A673 HydrophobicContact CB-CB 4.06Å; R650-A673 VanDerWaalsContact CZ-O 3.24Å; R650-A673 PolarHBondContact NE-O 3.22Å; R650-A673 PolarHBondContact NH2-O 3.19Å; R650-T676 WeakPolarHBondContact CD-O 3.37Å; R650-T676 PolarHBondContact NE-O 2.95Å; R650-L684 HydrophobicContact CB-CD1 3.86Å; R650-L684 HydrophobicContact CG-CD1 3.77Å |
| 651 | V | 95.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.9 | -47 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | E647 A648 S649 L654 K655 I669 A673 | E647-V651 WeakPolarHBondContact O-CG2 3.3Å; E647-V651 PolarHBondContact O-N 3.47Å; E647-V651 VanDerWaalsContact O-N 3.08Å; A648-V651 PolarHBondContact O-N 2.92Å; S649-V651 PolarHBondContact O-N 3.48Å; V651-L654 PolarHBondContact O-N 3.33Å; V651-K655 HydrophobicContact CG1-CD 4.12Å; V651-K655 WeakPolarHBondContact O-CG 3.47Å; V651-K655 PolarHBondContact O-N 3.46Å; V651-I669 HydrophobicContact CG1-CG2 4.35Å; V651-A673 HydrophobicContact CB-CB 4.37Å; V651-A673 HydrophobicContact CG2-CB 3.36Å |
| 652 | N | 93 | Very high | 92.2 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | -179.2 | -68.8 | -18.8 | 0 | 0 | 0 | 112.3 | A648 S649 R650 K655 A656 | A648-N652 PolarHBondContact O-N 2.98Å; A648-N652 VanDerWaalsContact O-N 3.11Å; S649-N652 PolarHBondContact O-N 2.78Å; R650-N652 VanDerWaalsContact C-N 3.31Å; R650-N652 PolarHBondContact O-N 3.07Å; N652-K655 PolarHBondContact O-N 2.8Å; N652-A656 WeakPolarHBondContact O-CB 3.38Å; N652-A656 PolarHBondContact O-N 3.1Å |
| 653 | I | 93.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.2 | -67.8 | 164.2 | 0 | 0 | 0 | 110.7 | P645 S649 R650 A656 N657 L684 | P645-I653 HydrophobicContact CB-CD1 3.69Å; P645-I653 HydrophobicContact CG-CD1 3.96Å; S649-I653 VanDerWaalsContact O-CG1 3.24Å; S649-I653 WeakPolarHBondContact O-CG1 3.2Å; S649-I653 PolarHBondContact O-N 3.11Å; R650-I653 PolarHBondContact O-N 3Å; I653-A656 PolarHBondContact O-N 2.85Å; I653-N657 WeakPolarHBondContact CG2-ND2 3.5Å; I653-N657 PolarHBondContact O-N 3.28Å; I653-N657 PolarHBondContact O-ND2 3.47Å; I653-L684 HydrophobicContact CB-CD1 3.95Å; I653-L684 HydrophobicContact CD1-CD1 4.14Å; I653-L684 HydrophobicContact CG2-CB 3.9Å; I653-L684 HydrophobicContact CG2-CD1 3.76Å; I653-L684 HydrophobicContact CG2-CG 4.5Å |
| 654 | L | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.2 | -71.8 | 168.6 | 0 | 0 | 0 | 111.1 | R650 V651 N657 L658 I669 L672 A673 L684 C688 | R650-L654 WeakPolarHBondContact O-CB 3.31Å; R650-L654 VanDerWaalsContact O-CG 3.29Å; R650-L654 WeakPolarHBondContact O-CG 3.37Å; R650-L654 PolarHBondContact O-N 3.29Å; V651-L654 PolarHBondContact O-N 3.33Å; L654-N657 PolarHBondContact O-N 3.38Å; L654-L658 WeakPolarHBondContact O-CB 3.49Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.29Å; L654-L658 PolarHBondContact O-N 3.05Å; L654-I669 HydrophobicContact CB-CG2 3.68Å; L654-I669 HydrophobicContact CD1-CG2 4Å; L654-L672 HydrophobicContact CD1-CB 3.87Å; L654-A673 HydrophobicContact CD1-CB 4.21Å; L654-L684 HydrophobicContact CD2-CB 4.26Å; L654-L684 HydrophobicContact CD2-CD2 4.2Å; L654-L684 HydrophobicContact CG-CD2 4.45Å; L654-C688 VanDerWaalsContact CD2-SG 3.59Å |
| 655 | K | 92.7 | Very high | 92 | Very high | 116 Ų | 116 | 63.4 Ų | 63.4 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.7 | -74.1 | 178 | 179.4 | 177.5 | 0 | 112.4 | V651 N652 L658 R659 I669 | V651-K655 HydrophobicContact CG1-CD 4.12Å; V651-K655 WeakPolarHBondContact O-CG 3.47Å; V651-K655 PolarHBondContact O-N 3.46Å; N652-K655 PolarHBondContact O-N 2.8Å; K655-L658 CarbonylContact O-C 3.51Å; K655-L658 PolarHBondContact O-N 3.47Å; K655-R659 PolarHBondContact O-N 3.37Å; K655-I669 HydrophobicContact CG-CG2 4.3Å |
| 656 | A | 89.2 | Confident | 91.8 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N652 I653 L658 R659 | N652-A656 WeakPolarHBondContact O-CB 3.38Å; N652-A656 PolarHBondContact O-N 3.1Å; I653-A656 PolarHBondContact O-N 2.85Å; A656-L658 VanDerWaalsContact C-N 3.3Å; A656-L658 PolarHBondContact O-N 2.94Å; A656-R659 WeakPolarHBondContact O-CB 3.24Å; A656-R659 PolarHBondContact O-N 2.96Å |
| 657 | N | 89.9 | Confident | 91.8 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 177.3 | -80.2 | -72.6 | 0 | 0 | 0 | 113.2 | I653 L654 T685 C688 | I653-N657 WeakPolarHBondContact CG2-ND2 3.5Å; I653-N657 PolarHBondContact O-N 3.28Å; I653-N657 PolarHBondContact O-ND2 3.47Å; L654-N657 PolarHBondContact O-N 3.38Å; N657-T685 VanDerWaalsContact CG-OG1 3.29Å; N657-T685 PolarHBondContact ND2-OG1 3.35Å; N657-T685 WeakPolarHBondContact OD1-CB 3.19Å; N657-T685 WeakPolarHBondContact OD1-CG2 3.49Å; N657-T685 PolarHBondContact OD1-OG1 2.95Å; N657-C688 HydrophobicContact CB-CB 4.05Å |
| 658 | L | 91.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -98.7 | 1.9 | -175.6 | -59.7 | 172 | 0 | 0 | 0 | 113.5 | L654 K655 A656 K660 S661 I663 I669 C688 F732 | L654-L658 WeakPolarHBondContact O-CB 3.49Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.29Å; L654-L658 PolarHBondContact O-N 3.05Å; K655-L658 CarbonylContact O-C 3.51Å; K655-L658 PolarHBondContact O-N 3.47Å; A656-L658 VanDerWaalsContact C-N 3.3Å; A656-L658 PolarHBondContact O-N 2.94Å; L658-K660 PolarHBondContact O-N 2.65Å; L658-K660 VanDerWaalsContact O-N 3.07Å; L658-S661 PolarHBondContact O-N 2.93Å; L658-I663 HydrophobicContact CB-CD1 3.98Å; L658-I663 HydrophobicContact CB-CG1 4Å; L658-I663 HydrophobicContact CD1-CD1 4.08Å; L658-I663 HydrophobicContact CD1-CG1 4.39Å; L658-I663 HydrophobicContact CD2-CD1 3.81Å; L658-I663 HydrophobicContact CG-CD1 4.15Å; L658-I669 HydrophobicContact CD1-CD1 3.66Å; L658-C688 HydrophobicContact CD2-CB 3.74Å; L658-C688 HydrophobicContact CG-CB 4.36Å; L658-F732 HydrophobicContact CD1-CE1 4.19Å; L658-F732 HydrophobicContact CD1-CZ 3.64Å; L658-F732 HydrophobicContact CD2-CZ 3.94Å; L658-F732 HydrophobicContact CG-CZ 4.46Å |
| 659 | R | 88.1 | Confident | 91.9 | Very high | 138 Ų | 138 | 60.1 Ų | 60.1 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.6 | -174.1 | -174.2 | 171.2 | 69.2 | -132.2 | 1.2 | 113.8 | D475 K655 A656 | D475-R659 IonicContact OD1-CZ 3.61Å; D475-R659 VanDerWaalsContact OD1-CZ 3.29Å; D475-R659 IonicContact OD1-NH1 2.71Å; D475-R659 PolarHBondContact OD1-NH1 3.34Å; D475-R659 IonicContact OD1-NH2 3.43Å; D475-R659 PolarHBondContact OD1-NH2 3.16Å; K655-R659 PolarHBondContact O-N 3.37Å; A656-R659 WeakPolarHBondContact O-CB 3.24Å; A656-R659 PolarHBondContact O-N 2.96Å |
| 660 | K | 85.9 | Confident | 92.1 | Very high | 189 Ų | 189 | 63.8 Ų | 63.8 | 82% | 0.822 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 6.9 | -179.9 | -61 | -175.6 | -179.9 | -178.5 | 0 | 113.2 | L658 | L658-K660 PolarHBondContact O-N 2.65Å; L658-K660 VanDerWaalsContact O-N 3.07Å |
| 661 | S | 92.2 | Very high | 92 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -107.5 | 139.5 | -175.2 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | L658 I663 | L658-S661 PolarHBondContact O-N 2.93Å; S661-I663 PolarHBondContact O-N 3.2Å; S661-I663 VanDerWaalsContact O-N 3.14Å |
| 662 | P | 90.3 | Very high | 92 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | trans | -73.1 | 106.4 | 174.1 | 29.9 | -32.4 | 0 | 0 | 0 | 108.7 | P725 E726 I727 | P662-P725 VanDerWaalsContact CB-O 3.32Å; P662-P725 WeakPolarHBondContact CB-O 3.38Å; P662-P725 WeakPolarHBondContact CG-O 3.42Å; P662-E726 HydrophobicContact CB-CG 4.39Å; P662-E726 WeakPolarHBondContact O-CA 3.45Å; P662-I727 WeakPolarHBondContact O-CG1 3.35Å; P662-I727 PolarHBondContact O-N 2.88Å | ||
| 663 | I | 92.9 | Very high | 92.1 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 129.6 | -178.6 | -53 | -56.3 | 0 | 0 | 0 | 109.4 | L658 S661 V667 I727 F732 | L658-I663 HydrophobicContact CB-CD1 3.98Å; L658-I663 HydrophobicContact CB-CG1 4Å; L658-I663 HydrophobicContact CD1-CD1 4.08Å; L658-I663 HydrophobicContact CD1-CG1 4.39Å; L658-I663 HydrophobicContact CD2-CD1 3.81Å; L658-I663 HydrophobicContact CG-CD1 4.15Å; S661-I663 PolarHBondContact O-N 3.2Å; S661-I663 VanDerWaalsContact O-N 3.14Å; I663-V667 HydrophobicContact CG2-CB 3.62Å; I663-V667 HydrophobicContact CG2-CG1 3.9Å; I663-V667 HydrophobicContact CG2-CG2 3.83Å; I663-I727 HydrophobicContact CD1-CB 4.04Å; I663-I727 HydrophobicContact CD1-CD1 3.82Å; I663-I727 HydrophobicContact CD1-CG1 4.42Å; I663-F732 HydrophobicContact CD1-CE2 4.48Å; I663-F732 HydrophobicContact CD1-CZ 4.48Å |
| 664 | A | 92 | Very high | 92.2 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | trans | -67 | 146.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D666 V667 E726 I727 T728 | A664-D666 WeakPolarHBondContact CB-OD1 3.35Å; A664-D666 PolarHBondContact O-N 2.67Å; A664-V667 HydrophobicContact CB-CG2 4.39Å; A664-V667 WeakPolarHBondContact O-CB 3.46Å; A664-V667 PolarHBondContact O-N 3.47Å; A664-V667 VanDerWaalsContact O-N 3.09Å; A664-E726 VanDerWaalsContact CA-OE2 3.26Å; A664-E726 WeakPolarHBondContact CA-OE2 3.29Å; A664-E726 HydrophobicContact CB-CB 3.9Å; A664-I727 WeakPolarHBondContact CB-O 3.48Å; A664-I727 PolarHBondContact N-O 3.29Å; A664-T728 HydrophobicContact CB-CG2 4.35Å | ||
| 665 | R | 90.1 | Very high | 92.2 | Very high | 246 Ų | 246 | 73.9 Ų | 73.9 | 93% | 0.928 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.6 | -177.3 | -62.1 | -176.5 | -178.2 | -175.3 | 0.7 | 113.8 | V667 | R665-V667 VanDerWaalsContact C-N 3.34Š|
| 666 | D | 87.8 | Confident | 92.2 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.1 | 180 | 73.3 | -31.4 | 0 | 0 | 0 | 113.8 | A664 D668 R729 | A664-D666 WeakPolarHBondContact CB-OD1 3.35Å; A664-D666 PolarHBondContact O-N 2.67Å; D666-D668 PolarHBondContact O-N 2.84Å; D666-R729 PolarHBondContact O-NE 3.49Å; D666-R729 PolarHBondContact O-NH2 3.04Å; D666-R729 WeakPolarHBondContact OD2-CB 3.46Å |
| 667 | V | 92.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 74.5 Ų | 74.5 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | trans | -82.8 | 111.3 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | I663 A664 R665 I669 L672 I727 F732 | I663-V667 HydrophobicContact CG2-CB 3.62Å; I663-V667 HydrophobicContact CG2-CG1 3.9Å; I663-V667 HydrophobicContact CG2-CG2 3.83Å; A664-V667 HydrophobicContact CB-CG2 4.39Å; A664-V667 WeakPolarHBondContact O-CB 3.46Å; A664-V667 PolarHBondContact O-N 3.47Å; A664-V667 VanDerWaalsContact O-N 3.09Å; R665-V667 VanDerWaalsContact C-N 3.34Å; V667-I669 HydrophobicContact CG1-CD1 3.89Å; V667-I669 PolarHBondContact O-N 3.44Å; V667-L672 HydrophobicContact CG1-CD1 4.23Å; V667-I727 WeakPolarHBondContact CG2-O 3.25Å; V667-F732 HydrophobicContact CG1-CD2 3.67Å; V667-F732 HydrophobicContact CG1-CE2 3.64Å; V667-F732 HydrophobicContact CG1-CG 4.44Å; V667-F732 HydrophobicContact CG1-CZ 4.4Å; V667-F732 HydrophobicContact CG2-CD2 3.94Å; V667-F732 HydrophobicContact CG2-CE2 4.08Å | ||
| 668 | D | 95 | Very high | 92.4 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | trans | -90.9 | 100.3 | 174.9 | -174.2 | -6.1 | 0 | 0 | 0 | 111.5 | D666 N670 F671 L672 | D666-D668 PolarHBondContact O-N 2.84Å; D668-N670 VanDerWaalsContact C-N 3.27Å; D668-N670 PolarHBondContact O-N 3.2Å; D668-N670 WeakPolarHBondContact OD1-CA 3.41Å; D668-N670 WeakPolarHBondContact OD1-CB 3.37Å; D668-N670 PolarHBondContact OD1-N 2.89Å; D668-N670 PolarHBondContact OD1-ND2 2.89Å; D668-F671 HydrophobicContact CB-CB 3.82Å; D668-F671 PolarHBondContact O-N 3.08Å; D668-F671 PolarHBondContact OD1-N 3.29Å; D668-F671 VanDerWaalsContact OD1-N 3.13Å; D668-L672 PolarHBondContact O-N 2.93Å; D668-L672 VanDerWaalsContact O-N 3.11Å | ||
| 669 | I | 94.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -32.5 | 177.3 | -55.9 | -60.4 | 0 | 0 | 0 | 112.2 | V651 L654 K655 L658 V667 L672 A673 | V651-I669 HydrophobicContact CG1-CG2 4.35Å; L654-I669 HydrophobicContact CB-CG2 3.68Å; L654-I669 HydrophobicContact CD1-CG2 4Å; K655-I669 HydrophobicContact CG-CG2 4.3Å; L658-I669 HydrophobicContact CD1-CD1 3.66Å; V667-I669 HydrophobicContact CG1-CD1 3.89Å; V667-I669 PolarHBondContact O-N 3.44Å; I669-L672 HydrophobicContact CD1-CD1 4.35Å; I669-L672 PolarHBondContact O-N 3.32Å; I669-A673 WeakPolarHBondContact O-CB 3.46Å; I669-A673 PolarHBondContact O-N 2.78Å |
| 670 | N | 96.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 178.9 | -56.5 | -74.8 | 0 | 0 | 0 | 110.6 | D668 A673 K674 | D668-N670 VanDerWaalsContact C-N 3.27Å; D668-N670 PolarHBondContact O-N 3.2Å; D668-N670 WeakPolarHBondContact OD1-CA 3.41Å; D668-N670 WeakPolarHBondContact OD1-CB 3.37Å; D668-N670 PolarHBondContact OD1-N 2.89Å; D668-N670 PolarHBondContact OD1-ND2 2.89Å; N670-A673 PolarHBondContact O-N 3.06Å; N670-K674 WeakPolarHBondContact O-CG 3.49Å; N670-K674 PolarHBondContact O-N 3.06Å |
| 671 | F | 95.2 | Very high | 93.1 | Very high | 136 Ų | 136 | 57.8 Ų | 57.8 | 60% | 0.596 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 173.4 | -178.1 | -99.8 | 0 | 0 | 0 | 111.6 | D668 A673 K674 A675 | D668-F671 HydrophobicContact CB-CB 3.82Å; D668-F671 PolarHBondContact O-N 3.08Å; D668-F671 PolarHBondContact OD1-N 3.29Å; D668-F671 VanDerWaalsContact OD1-N 3.13Å; F671-A673 VanDerWaalsContact C-N 3.33Å; F671-A673 PolarHBondContact O-N 3.48Å; F671-K674 PolarHBondContact O-N 2.94Å; F671-A675 WeakPolarHBondContact O-CB 3.36Å; F671-A675 PolarHBondContact O-N 3.48Å |
| 672 | L | 94.6 | Very high | 93 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 174 | -69.1 | 175.8 | 0 | 0 | 0 | 111.8 | L654 V667 D668 I669 K674 A675 T676 F732 M736 | L654-L672 HydrophobicContact CD1-CB 3.87Å; V667-L672 HydrophobicContact CG1-CD1 4.23Å; D668-L672 PolarHBondContact O-N 2.93Å; D668-L672 VanDerWaalsContact O-N 3.11Å; I669-L672 HydrophobicContact CD1-CD1 4.35Å; I669-L672 PolarHBondContact O-N 3.32Å; L672-K674 VanDerWaalsContact C-N 3.34Å; L672-K674 PolarHBondContact O-N 3.3Å; L672-A675 PolarHBondContact O-N 3.37Å; L672-T676 WeakPolarHBondContact O-CB 3.11Å; L672-T676 VanDerWaalsContact O-CG2 3.26Å; L672-T676 WeakPolarHBondContact O-CG2 3.38Å; L672-T676 PolarHBondContact O-N 2.87Å; L672-T676 VanDerWaalsContact O-N 3.08Å; L672-T676 PolarHBondContact O-OG1 3.43Å; L672-F732 HydrophobicContact CD1-CB 4.39Å; L672-F732 HydrophobicContact CD1-CD1 3.63Å; L672-F732 HydrophobicContact CD1-CE1 4Å; L672-F732 HydrophobicContact CD1-CG 3.95Å; L672-F732 HydrophobicContact CD2-CB 4.32Å; L672-M736 HydrophobicContact CD2-CG 4.18Å |
| 673 | A | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R650 V651 L654 I669 N670 F671 T676 | R650-A673 HydrophobicContact CB-CB 4.06Å; R650-A673 VanDerWaalsContact CZ-O 3.24Å; R650-A673 PolarHBondContact NE-O 3.22Å; R650-A673 PolarHBondContact NH2-O 3.19Å; V651-A673 HydrophobicContact CB-CB 4.37Å; V651-A673 HydrophobicContact CG2-CB 3.36Å; L654-A673 HydrophobicContact CD1-CB 4.21Å; I669-A673 WeakPolarHBondContact O-CB 3.46Å; I669-A673 PolarHBondContact O-N 2.78Å; N670-A673 PolarHBondContact O-N 3.06Å; F671-A673 VanDerWaalsContact C-N 3.33Å; F671-A673 PolarHBondContact O-N 3.48Å; A673-T676 WeakPolarHBondContact CA-OG1 3.42Å; A673-T676 PolarHBondContact O-N 2.79Å; A673-T676 PolarHBondContact O-OG1 3.4Å |
| 674 | K | 95.3 | Very high | 93.4 | Very high | 128 Ų | 128 | 53.1 Ų | 53.1 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 173.9 | -73.8 | 175.1 | -178.7 | 178.9 | 0 | 112.3 | E647 N670 F671 L672 T676 | E647-K674 HydrophobicContact CG-CG 4.42Å; E647-K674 WeakPolarHBondContact OE1-CE 3.26Å; E647-K674 WeakPolarHBondContact OE1-CG 3.49Å; N670-K674 WeakPolarHBondContact O-CG 3.49Å; N670-K674 PolarHBondContact O-N 3.06Å; F671-K674 PolarHBondContact O-N 2.94Å; L672-K674 VanDerWaalsContact C-N 3.34Å; L672-K674 PolarHBondContact O-N 3.3Å; K674-T676 PolarHBondContact O-N 3.5Å |
| 675 | A | 94.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.7 | -13.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F671 L672 M736 | F671-A675 WeakPolarHBondContact O-CB 3.36Å; F671-A675 PolarHBondContact O-N 3.48Å; L672-A675 PolarHBondContact O-N 3.37Å; A675-M736 HydrophobicContact CB-CE 4.09Å |
| 676 | T | 94.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 32.5 | -175.9 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | R650 L672 A673 K674 G678 F679 L684 I687 M736 | R650-T676 WeakPolarHBondContact CD-O 3.37Å; R650-T676 PolarHBondContact NE-O 2.95Å; L672-T676 WeakPolarHBondContact O-CB 3.11Å; L672-T676 VanDerWaalsContact O-CG2 3.26Å; L672-T676 WeakPolarHBondContact O-CG2 3.38Å; L672-T676 PolarHBondContact O-N 2.87Å; L672-T676 VanDerWaalsContact O-N 3.08Å; L672-T676 PolarHBondContact O-OG1 3.43Å; A673-T676 WeakPolarHBondContact CA-OG1 3.42Å; A673-T676 PolarHBondContact O-N 2.79Å; A673-T676 PolarHBondContact O-OG1 3.4Å; K674-T676 PolarHBondContact O-N 3.5Å; T676-G678 PolarHBondContact O-N 3.07Å; T676-F679 VanDerWaalsContact C-CD2 3.42Å; T676-F679 HydrophobicContact CG2-CD1 4.45Å; T676-F679 HydrophobicContact CG2-CD2 4.42Å; T676-F679 HydrophobicContact CG2-CG 4.33Å; T676-F679 VanDerWaalsContact O-CB 3.31Å; T676-F679 WeakPolarHBondContact O-CB 3.41Å; T676-F679 VanDerWaalsContact O-CD2 3.25Å; T676-F679 WeakPolarHBondContact O-CD2 3.29Å; T676-F679 PolarHBondContact O-N 2.83Å; T676-L684 HydrophobicContact CG2-CD2 3.85Å; T676-I687 HydrophobicContact CG2-CD1 3.83Å; T676-M736 HydrophobicContact CG2-CE 3.91Å; T676-M736 HydrophobicContact CG2-SD 3.98Å |
| 677 | Q | 92.4 | Very high | 93.8 | Very high | 151 Ų | 151 | 43.4 Ų | 43.4 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 130.4 | 174.7 | -173.4 | 179.1 | 1 | 0 | 0 | 111.6 | F679 | Q677-F679 VanDerWaalsContact C-N 3.32Š|
| 678 | G | 90.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T676 R741 | T676-G678 PolarHBondContact O-N 3.07Å; G678-R741 PolarHBondContact O-NE 3.32Å |
| 679 | F | 94.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | trans | -85.1 | 142.2 | 169.6 | -77 | -114.7 | 0 | 0 | 0 | 110.2 | P645 T676 Q677 D683 L684 I687 A739 R741 | P645-F679 WeakPolarHBondContact CD-O 3.34Å; P645-F679 VanDerWaalsContact CG-O 3.3Å; P645-F679 WeakPolarHBondContact CG-O 3.26Å; T676-F679 VanDerWaalsContact C-CD2 3.42Å; T676-F679 HydrophobicContact CG2-CD1 4.45Å; T676-F679 HydrophobicContact CG2-CD2 4.42Å; T676-F679 HydrophobicContact CG2-CG 4.33Å; T676-F679 VanDerWaalsContact O-CB 3.31Å; T676-F679 WeakPolarHBondContact O-CB 3.41Å; T676-F679 VanDerWaalsContact O-CD2 3.25Å; T676-F679 WeakPolarHBondContact O-CD2 3.29Å; T676-F679 PolarHBondContact O-N 2.83Å; Q677-F679 VanDerWaalsContact C-N 3.32Å; F679-D683 HydrophobicContact CB-CB 4.05Å; F679-D683 HydrophobicContact CD1-CB 3.57Å; F679-D683 HydrophobicContact CE1-CB 4.46Å; F679-D683 HydrophobicContact CG-CB 4.26Å; F679-L684 HydrophobicContact CB-CD2 4.17Å; F679-L684 HydrophobicContact CB-CG 4.4Å; F679-I687 HydrophobicContact CD1-CD1 3.85Å; F679-I687 HydrophobicContact CE1-CD1 3.88Å; F679-A739 HydrophobicContact CE1-CB 3.91Å; F679-A739 HydrophobicContact CZ-CB 4.29Å; F679-R741 HydrophobicContact CD2-CG 3.68Å; F679-R741 HydrophobicContact CE1-CG 4.35Å; F679-R741 HydrophobicContact CE2-CG 3.48Å; F679-R741 VanDerWaalsContact CE2-CG 3.48Å; F679-R741 HydrophobicContact CG-CG 4.23Å; F679-R741 HydrophobicContact CZ-CG 3.84Å | ||
| 680 | S | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -78.4 | 167.9 | 171.9 | 76 | 0 | 0 | 0 | 0 | 111.5 | A682 D683 L684 S742 | S680-A682 VanDerWaalsContact C-N 3.26Å; S680-A682 PolarHBondContact O-N 3.2Å; S680-A682 PolarHBondContact OG-N 3.01Å; S680-D683 PolarHBondContact N-OD2 3.44Å; S680-D683 PolarHBondContact O-N 3.07Å; S680-D683 VanDerWaalsContact O-N 3.15Å; S680-D683 PolarHBondContact OG-N 2.78Å; S680-D683 PolarHBondContact OG-OD1 3.25Å; S680-D683 VanDerWaalsContact OG-OD1 3.09Å; S680-D683 PolarHBondContact OG-OD2 2.94Å; S680-L684 WeakPolarHBondContact O-CG 3.49Å; S680-L684 PolarHBondContact O-N 3.09Å; S680-L684 VanDerWaalsContact O-N 3.09Å; S680-S742 PolarHBondContact OG-OG 2.82Å | ||
| 681 | G | 91.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G518 D683 L684 T685 | G518-G681 CarbonylContact O-C 3.56Å; G518-G681 WeakPolarHBondContact O-CA 3.31Å; G518-G681 PolarHBondContact O-N 2.98Å; G681-D683 PolarHBondContact O-N 3.18Å; G681-L684 PolarHBondContact O-N 3.47Å; G681-T685 PolarHBondContact O-N 3.41Å; G681-T685 PolarHBondContact O-OG1 3.37Å |
| 682 | A | 91 | Very high | 93.3 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G518 S680 L684 T685 E686 | G518-A682 PolarHBondContact O-N 3.38Å; S680-A682 VanDerWaalsContact C-N 3.26Å; S680-A682 PolarHBondContact O-N 3.2Å; S680-A682 PolarHBondContact OG-N 3.01Å; A682-L684 VanDerWaalsContact C-N 3.32Å; A682-L684 PolarHBondContact O-N 2.74Å; A682-T685 PolarHBondContact O-N 2.93Å; A682-E686 WeakPolarHBondContact O-CB 3.32Å; A682-E686 PolarHBondContact O-N 3.43Å |
| 683 | D | 95 | Very high | 93 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.4 | -52.5 | -21.9 | 0 | 0 | 0 | 110.9 | F679 S680 G681 E686 I687 S742 | F679-D683 HydrophobicContact CB-CB 4.05Å; F679-D683 HydrophobicContact CD1-CB 3.57Å; F679-D683 HydrophobicContact CE1-CB 4.46Å; F679-D683 HydrophobicContact CG-CB 4.26Å; S680-D683 PolarHBondContact N-OD2 3.44Å; S680-D683 PolarHBondContact O-N 3.07Å; S680-D683 VanDerWaalsContact O-N 3.15Å; S680-D683 PolarHBondContact OG-N 2.78Å; S680-D683 PolarHBondContact OG-OD1 3.25Å; S680-D683 VanDerWaalsContact OG-OD1 3.09Å; S680-D683 PolarHBondContact OG-OD2 2.94Å; G681-D683 PolarHBondContact O-N 3.18Å; D683-E686 PolarHBondContact O-N 3.39Å; D683-I687 WeakPolarHBondContact O-CG1 3.34Å; D683-I687 PolarHBondContact O-N 3.2Å; D683-S742 WeakPolarHBondContact OD1-CB 3.34Å; D683-S742 PolarHBondContact OD1-N 3.18Å; D683-S742 PolarHBondContact OD1-OG 3.06Å; D683-S742 PolarHBondContact OD2-N 3.21Å; D683-S742 VanDerWaalsContact OD2-N 3.12Å; D683-S742 PolarHBondContact OD2-OG 2.56Å; D683-S742 VanDerWaalsContact OD2-OG 3.06Å |
| 684 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 175.5 | -64.1 | 175.9 | 0 | 0 | 0 | 112 | R650 I653 L654 T676 F679 S680 G681 A682 E686 I687 C688 | R650-L684 HydrophobicContact CB-CD1 3.86Å; R650-L684 HydrophobicContact CG-CD1 3.77Å; I653-L684 HydrophobicContact CB-CD1 3.95Å; I653-L684 HydrophobicContact CD1-CD1 4.14Å; I653-L684 HydrophobicContact CG2-CB 3.9Å; I653-L684 HydrophobicContact CG2-CD1 3.76Å; I653-L684 HydrophobicContact CG2-CG 4.5Å; L654-L684 HydrophobicContact CD2-CB 4.26Å; L654-L684 HydrophobicContact CD2-CD2 4.2Å; L654-L684 HydrophobicContact CG-CD2 4.45Å; T676-L684 HydrophobicContact CG2-CD2 3.85Å; F679-L684 HydrophobicContact CB-CD2 4.17Å; F679-L684 HydrophobicContact CB-CG 4.4Å; S680-L684 WeakPolarHBondContact O-CG 3.49Å; S680-L684 PolarHBondContact O-N 3.09Å; S680-L684 VanDerWaalsContact O-N 3.09Å; G681-L684 PolarHBondContact O-N 3.47Å; A682-L684 VanDerWaalsContact C-N 3.32Å; A682-L684 PolarHBondContact O-N 2.74Å; L684-E686 VanDerWaalsContact C-N 3.26Å; L684-E686 PolarHBondContact O-N 3.3Å; L684-I687 HydrophobicContact CD2-CD1 4.39Å; L684-I687 PolarHBondContact O-N 3.45Å; L684-C688 PolarHBondContact O-N 3.36Å; L684-C688 PolarHBondContact O-SG 2.83Å; L684-C688 VanDerWaalsContact O-SG 3.4Å |
| 685 | T | 91.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 173 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | N657 G681 A682 C688 Q689 | N657-T685 VanDerWaalsContact CG-OG1 3.29Å; N657-T685 PolarHBondContact ND2-OG1 3.35Å; N657-T685 WeakPolarHBondContact OD1-CB 3.19Å; N657-T685 WeakPolarHBondContact OD1-CG2 3.49Å; N657-T685 PolarHBondContact OD1-OG1 2.95Å; G681-T685 PolarHBondContact O-N 3.41Å; G681-T685 PolarHBondContact O-OG1 3.37Å; A682-T685 PolarHBondContact O-N 2.93Å; T685-C688 PolarHBondContact O-N 3.24Å; T685-Q689 HydrophobicContact CG2-CG 4.32Å; T685-Q689 WeakPolarHBondContact O-CB 3.06Å; T685-Q689 WeakPolarHBondContact O-CG 3.27Å; T685-Q689 PolarHBondContact O-N 3.45Å |
| 686 | E | 92 | Very high | 92.1 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.5 | -176 | 173.9 | -165.5 | 0 | 0 | 112.2 | A682 D683 L684 Q689 R690 | A682-E686 WeakPolarHBondContact O-CB 3.32Å; A682-E686 PolarHBondContact O-N 3.43Å; D683-E686 PolarHBondContact O-N 3.39Å; L684-E686 VanDerWaalsContact C-N 3.26Å; L684-E686 PolarHBondContact O-N 3.3Å; E686-Q689 PolarHBondContact O-N 3.49Å; E686-R690 HydrophobicContact CG-CG 4.42Å; E686-R690 WeakPolarHBondContact O-CB 3.36Å; E686-R690 VanDerWaalsContact O-CG 3.3Å; E686-R690 WeakPolarHBondContact O-CG 3.02Å; E686-R690 PolarHBondContact O-N 2.83Å; E686-R690 IonicContact OE1-CZ 3.25Å; E686-R690 IonicContact OE1-NE 3.68Å; E686-R690 PolarHBondContact OE1-NE 3.14Å; E686-R690 IonicContact OE1-NH2 2.77Å; E686-R690 PolarHBondContact OE1-NH2 3.19Å |
| 687 | I | 95.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 174.9 | -68.4 | 161.6 | 0 | 0 | 0 | 110.6 | T676 F679 D683 L684 R690 A691 F732 A735 M736 A739 | T676-I687 HydrophobicContact CG2-CD1 3.83Å; F679-I687 HydrophobicContact CD1-CD1 3.85Å; F679-I687 HydrophobicContact CE1-CD1 3.88Å; D683-I687 WeakPolarHBondContact O-CG1 3.34Å; D683-I687 PolarHBondContact O-N 3.2Å; L684-I687 HydrophobicContact CD2-CD1 4.39Å; L684-I687 PolarHBondContact O-N 3.45Å; I687-R690 PolarHBondContact O-N 2.93Å; I687-A691 PolarHBondContact O-N 2.93Å; I687-F732 HydrophobicContact CG2-CD1 4.33Å; I687-A735 HydrophobicContact CG2-CB 4.31Å; I687-M736 HydrophobicContact CD1-SD 3.82Å; I687-M736 HydrophobicContact CG1-SD 4.34Å; I687-M736 HydrophobicContact CG2-SD 4.09Å; I687-A739 HydrophobicContact CD1-CB 3.97Å; I687-A739 HydrophobicContact CG1-CB 3.83Å |
| 688 | C | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 177.4 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | L654 N657 L658 L684 T685 R690 A691 C692 | L654-C688 VanDerWaalsContact CD2-SG 3.59Å; N657-C688 HydrophobicContact CB-CB 4.05Å; L658-C688 HydrophobicContact CD2-CB 3.74Å; L658-C688 HydrophobicContact CG-CB 4.36Å; L684-C688 PolarHBondContact O-N 3.36Å; L684-C688 PolarHBondContact O-SG 2.83Å; L684-C688 VanDerWaalsContact O-SG 3.4Å; T685-C688 PolarHBondContact O-N 3.24Å; C688-R690 VanDerWaalsContact C-N 3.3Å; C688-R690 PolarHBondContact O-N 3.46Å; C688-A691 PolarHBondContact O-N 2.75Å; C688-C692 PolarHBondContact O-N 3.39Å; C688-C692 PolarHBondContact O-SG 2.81Å |
| 689 | Q | 91.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 43.8 Ų | 43.8 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 179.8 | -73.9 | -178.6 | 3.8 | 0 | 0 | 112.5 | T685 E686 C692 K693 | T685-Q689 HydrophobicContact CG2-CG 4.32Å; T685-Q689 WeakPolarHBondContact O-CB 3.06Å; T685-Q689 WeakPolarHBondContact O-CG 3.27Å; T685-Q689 PolarHBondContact O-N 3.45Å; E686-Q689 PolarHBondContact O-N 3.49Å; Q689-C692 PolarHBondContact O-N 3.28Å; Q689-K693 WeakPolarHBondContact O-CB 3.39Å; Q689-K693 VanDerWaalsContact O-CG 3.29Å; Q689-K693 WeakPolarHBondContact O-CG 3.26Å; Q689-K693 PolarHBondContact O-N 2.87Å |
| 690 | R | 92.2 | Very high | 91 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -42 | 175.7 | -76.3 | 177.2 | -178.8 | -172.6 | 1.1 | 111.9 | E686 I687 C688 K693 Q694 A735 F738 | E686-R690 HydrophobicContact CG-CG 4.42Å; E686-R690 WeakPolarHBondContact O-CB 3.36Å; E686-R690 VanDerWaalsContact O-CG 3.3Å; E686-R690 WeakPolarHBondContact O-CG 3.02Å; E686-R690 PolarHBondContact O-N 2.83Å; E686-R690 IonicContact OE1-CZ 3.25Å; E686-R690 IonicContact OE1-NE 3.68Å; E686-R690 PolarHBondContact OE1-NE 3.14Å; E686-R690 IonicContact OE1-NH2 2.77Å; E686-R690 PolarHBondContact OE1-NH2 3.19Å; I687-R690 PolarHBondContact O-N 2.93Å; C688-R690 VanDerWaalsContact C-N 3.3Å; C688-R690 PolarHBondContact O-N 3.46Å; R690-K693 PolarHBondContact O-N 2.98Å; R690-Q694 WeakPolarHBondContact O-CB 3.01Å; R690-Q694 PolarHBondContact O-N 3.09Å; R690-A735 HydrophobicContact CB-CB 3.88Å; R690-F738 VanDerWaalsContact NH1-CB 3.33Å; R690-F738 PolarHBondContact NH1-O 3.01Å |
| 691 | A | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I687 C688 Q694 A695 I727 H731 F732 A735 | I687-A691 PolarHBondContact O-N 2.93Å; C688-A691 PolarHBondContact O-N 2.75Å; A691-Q694 PolarHBondContact O-N 3.4Å; A691-A695 PolarHBondContact O-N 3.31Å; A691-A695 VanDerWaalsContact O-N 3.07Å; A691-I727 HydrophobicContact CB-CG2 4.1Å; A691-H731 HydrophobicContact CB-CB 4.27Å; A691-F732 HydrophobicContact CB-CD1 3.69Å; A691-F732 HydrophobicContact CB-CD2 4.22Å; A691-F732 HydrophobicContact CB-CE1 3.67Å; A691-F732 HydrophobicContact CB-CE2 4.2Å; A691-F732 HydrophobicContact CB-CG 3.97Å; A691-F732 HydrophobicContact CB-CZ 3.93Å; A691-A735 HydrophobicContact CB-CB 4.15Å |
| 692 | C | 91.8 | Very high | 90.5 | Very high | 27 Ų | 27 | 52 Ų | 52 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 174.2 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | C688 Q689 Q694 A695 I696 I727 | C688-C692 PolarHBondContact O-N 3.39Å; C688-C692 PolarHBondContact O-SG 2.81Å; Q689-C692 PolarHBondContact O-N 3.28Å; C692-Q694 VanDerWaalsContact C-N 3.26Å; C692-Q694 PolarHBondContact O-N 2.84Å; C692-A695 PolarHBondContact O-N 3.2Å; C692-I696 VanDerWaalsContact O-CG1 3.29Å; C692-I696 WeakPolarHBondContact O-CG1 3.13Å; C692-I696 PolarHBondContact O-N 3.32Å; C692-I727 HydrophobicContact CB-CD1 4.17Å; C692-I727 WeakPolarHBondContact SG-CD1 3.44Å |
| 693 | K | 87.3 | Confident | 90 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.7 | -33.8 | 178.2 | -77.8 | 175.3 | -179 | 176.5 | 0 | 112.6 | Q689 R690 R697 | Q689-K693 WeakPolarHBondContact O-CB 3.39Å; Q689-K693 VanDerWaalsContact O-CG 3.29Å; Q689-K693 WeakPolarHBondContact O-CG 3.26Å; Q689-K693 PolarHBondContact O-N 2.87Å; R690-K693 PolarHBondContact O-N 2.98Å; K693-R697 WeakPolarHBondContact O-CB 3.41Å; K693-R697 PolarHBondContact O-N 2.91Å |
| 694 | Q | 89.9 | Confident | 89.4 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 175.9 | -174.5 | 59.8 | 30.8 | 0 | 0 | 111.4 | R690 A691 C692 R697 E698 H731 | R690-Q694 WeakPolarHBondContact O-CB 3.01Å; R690-Q694 PolarHBondContact O-N 3.09Å; A691-Q694 PolarHBondContact O-N 3.4Å; C692-Q694 VanDerWaalsContact C-N 3.26Å; C692-Q694 PolarHBondContact O-N 2.84Å; Q694-R697 PolarHBondContact O-N 3.18Å; Q694-E698 PolarHBondContact O-N 2.88Å; Q694-H731 HydrophobicContact CB-CB 4.41Å |
| 695 | A | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A691 C692 R697 E698 S699 V724 I727 H731 | A691-A695 PolarHBondContact O-N 3.31Å; A691-A695 VanDerWaalsContact O-N 3.07Å; C692-A695 PolarHBondContact O-N 3.2Å; A695-R697 VanDerWaalsContact C-N 3.32Å; A695-R697 PolarHBondContact O-N 3.09Å; A695-E698 PolarHBondContact O-N 3.18Å; A695-S699 PolarHBondContact O-N 3.46Å; A695-V724 HydrophobicContact CB-CG1 4.13Å; A695-I727 HydrophobicContact CB-CG1 3.98Å; A695-H731 VanDerWaalsContact CB-CE1 3.48Å; A695-H731 WeakPolarHBondContact CB-CE1 3.33Å |
| 696 | I | 86.9 | Confident | 88.2 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 52% | 0.518 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 176.7 | -67.7 | 165.3 | 0 | 0 | 0 | 110.8 | C692 E698 S699 I700 | C692-I696 VanDerWaalsContact O-CG1 3.29Å; C692-I696 WeakPolarHBondContact O-CG1 3.13Å; C692-I696 PolarHBondContact O-N 3.32Å; I696-E698 VanDerWaalsContact C-N 3.35Å; I696-E698 PolarHBondContact O-N 3.21Å; I696-S699 PolarHBondContact O-N 2.99Å; I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.49Å; I696-I700 WeakPolarHBondContact O-CG1 3.11Å; I696-I700 PolarHBondContact O-N 3.44Å |
| 697 | R | 86.8 | Confident | 87.5 | Confident | 132 Ų | 132 | 68.7 Ų | 68.7 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 177 | -176.7 | -175.1 | -62.2 | 136.9 | -0.6 | 111.4 | K693 Q694 A695 S699 I700 E701 | K693-R697 WeakPolarHBondContact O-CB 3.41Å; K693-R697 PolarHBondContact O-N 2.91Å; Q694-R697 PolarHBondContact O-N 3.18Å; A695-R697 VanDerWaalsContact C-N 3.32Å; A695-R697 PolarHBondContact O-N 3.09Å; R697-S699 VanDerWaalsContact C-N 3.33Å; R697-I700 PolarHBondContact O-N 2.71Å; R697-E701 WeakPolarHBondContact CG-OE1 3.4Å; R697-E701 WeakPolarHBondContact O-CB 3.25Å; R697-E701 WeakPolarHBondContact O-CG 3.31Å; R697-E701 PolarHBondContact O-N 3.2Å |
| 698 | E | 90.6 | Very high | 86.7 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.8 | -170.1 | 167.7 | 156.1 | 0 | 0 | 111.8 | Q694 A695 I696 E701 A702 V724 H731 | Q694-E698 PolarHBondContact O-N 2.88Å; A695-E698 PolarHBondContact O-N 3.18Å; I696-E698 VanDerWaalsContact C-N 3.35Å; I696-E698 PolarHBondContact O-N 3.21Å; E698-E701 PolarHBondContact O-N 2.81Å; E698-A702 WeakPolarHBondContact O-CB 3.3Å; E698-A702 PolarHBondContact O-N 3.47Å; E698-V724 HydrophobicContact CB-CG2 3.98Å; E698-V724 HydrophobicContact CG-CG2 3.79Å; E698-H731 IonicContact OE2-CD2 3.22Å; E698-H731 IonicContact OE2-NE2 2.68Å; E698-H731 PolarHBondContact OE2-NE2 3.28Å |
| 699 | S | 86.9 | Confident | 85.8 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 175.2 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | A695 I696 R697 E701 A702 E703 | A695-S699 PolarHBondContact O-N 3.46Å; I696-S699 PolarHBondContact O-N 2.99Å; R697-S699 VanDerWaalsContact C-N 3.33Å; S699-E701 VanDerWaalsContact C-N 3.32Å; S699-E701 PolarHBondContact O-N 3.09Å; S699-A702 WeakPolarHBondContact O-CB 3.45Å; S699-A702 PolarHBondContact O-N 3.15Å; S699-A702 VanDerWaalsContact O-N 3.12Å; S699-E703 WeakPolarHBondContact O-CG 3.36Å; S699-E703 PolarHBondContact O-N 3.38Å; S699-E703 PolarHBondContact OG-OE1 3.11Å |
| 700 | I | 84.2 | Confident | 84.8 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 43% | 0.426 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | -179.7 | -66.2 | 169.1 | 0 | 0 | 0 | 110.8 | I696 R697 A702 E703 I704 | I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.49Å; I696-I700 WeakPolarHBondContact O-CG1 3.11Å; I696-I700 PolarHBondContact O-N 3.44Å; R697-I700 PolarHBondContact O-N 2.71Å; I700-A702 VanDerWaalsContact C-N 3.33Å; I700-A702 PolarHBondContact O-N 3.34Å; I700-E703 PolarHBondContact O-N 3.36Å; I700-I704 HydrophobicContact CG2-CD1 3.86Å; I700-I704 HydrophobicContact CG2-CG1 4.48Å; I700-I704 VanDerWaalsContact O-CG1 3.25Å; I700-I704 WeakPolarHBondContact O-CG1 3.49Å; I700-I704 PolarHBondContact O-N 3.47Å |
| 701 | E | 88.6 | Confident | 83.7 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 176.3 | -76.9 | -178.3 | -161.2 | 0 | 0 | 112.6 | R697 E698 S699 R705 | R697-E701 WeakPolarHBondContact CG-OE1 3.4Å; R697-E701 WeakPolarHBondContact O-CB 3.25Å; R697-E701 WeakPolarHBondContact O-CG 3.31Å; R697-E701 PolarHBondContact O-N 3.2Å; E698-E701 PolarHBondContact O-N 2.81Å; S699-E701 VanDerWaalsContact C-N 3.32Å; S699-E701 PolarHBondContact O-N 3.09Å; E701-R705 VanDerWaalsContact O-CG 3.3Å; E701-R705 WeakPolarHBondContact O-CG 3.48Å; E701-R705 PolarHBondContact O-N 3.03Å; E701-R705 VanDerWaalsContact O-N 3.16Å; E701-R705 IonicContact OE2-NH2 2.69Å; E701-R705 PolarHBondContact OE2-NH2 3.02Å |
| 702 | A | 85.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 88.1 Ų | 88.1 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E698 S699 I700 R705 A706 P723 | E698-A702 WeakPolarHBondContact O-CB 3.3Å; E698-A702 PolarHBondContact O-N 3.47Å; S699-A702 WeakPolarHBondContact O-CB 3.45Å; S699-A702 PolarHBondContact O-N 3.15Å; S699-A702 VanDerWaalsContact O-N 3.12Å; I700-A702 VanDerWaalsContact C-N 3.33Å; I700-A702 PolarHBondContact O-N 3.34Å; A702-R705 PolarHBondContact O-N 3.27Å; A702-A706 WeakPolarHBondContact O-CB 3.39Å; A702-A706 PolarHBondContact O-N 3.21Å; A702-P723 HydrophobicContact CB-CB 3.48Å; A702-P723 VanDerWaalsContact CB-CB 3.48Å; A702-P723 HydrophobicContact CB-CG 3.66Å |
| 703 | E | 82 | Confident | 81.7 | Confident | 99 Ų | 99 | 94.4 Ų | 94.4 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.2 | -73.5 | 167.3 | -148.2 | 0 | 0 | 111.7 | S699 I700 R705 A706 E707 P723 | S699-E703 WeakPolarHBondContact O-CG 3.36Å; S699-E703 PolarHBondContact O-N 3.38Å; S699-E703 PolarHBondContact OG-OE1 3.11Å; I700-E703 PolarHBondContact O-N 3.36Å; E703-R705 VanDerWaalsContact C-N 3.29Å; E703-R705 PolarHBondContact O-N 3.13Å; E703-A706 PolarHBondContact O-N 2.91Å; E703-A706 VanDerWaalsContact O-N 3.17Å; E703-E707 PolarHBondContact O-N 2.9Å; E703-P723 HydrophobicContact CG-CG 4.47Å |
| 704 | I | 81.7 | Confident | 80.4 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 177.1 | -69.3 | 166.8 | 0 | 0 | 0 | 111.1 | I700 S708 | I700-I704 HydrophobicContact CG2-CD1 3.86Å; I700-I704 HydrophobicContact CG2-CG1 4.48Å; I700-I704 VanDerWaalsContact O-CG1 3.25Å; I700-I704 WeakPolarHBondContact O-CG1 3.49Å; I700-I704 PolarHBondContact O-N 3.47Å; I704-S708 WeakPolarHBondContact O-CB 3.45Å; I704-S708 PolarHBondContact O-N 3.43Å |
| 705 | R | 83 | Confident | 79.1 | Confident | 151 Ų | 151 | 99.7 Ų | 99.7 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 176.2 | -72.6 | 175.6 | -159.6 | 172.8 | 11.6 | 110.8 | E701 A702 E703 E707 S708 E709 | E701-R705 VanDerWaalsContact O-CG 3.3Å; E701-R705 WeakPolarHBondContact O-CG 3.48Å; E701-R705 PolarHBondContact O-N 3.03Å; E701-R705 VanDerWaalsContact O-N 3.16Å; E701-R705 IonicContact OE2-NH2 2.69Å; E701-R705 PolarHBondContact OE2-NH2 3.02Å; A702-R705 PolarHBondContact O-N 3.27Å; E703-R705 VanDerWaalsContact C-N 3.29Å; E703-R705 PolarHBondContact O-N 3.13Å; R705-E707 VanDerWaalsContact C-N 3.34Å; R705-E707 PolarHBondContact O-N 3.4Å; R705-S708 PolarHBondContact O-N 3.31Å; R705-S708 VanDerWaalsContact O-N 3.13Å; R705-S708 PolarHBondContact O-OG 3.35Å; R705-E709 WeakPolarHBondContact O-CG 3.33Å; R705-E709 PolarHBondContact O-N 2.99Å |
| 706 | A | 79.6 | Confident | 77.6 | Confident | 44 Ų | 44 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A702 E703 E709 K710 | A702-A706 WeakPolarHBondContact O-CB 3.39Å; A702-A706 PolarHBondContact O-N 3.21Å; E703-A706 PolarHBondContact O-N 2.91Å; E703-A706 VanDerWaalsContact O-N 3.17Å; A706-E709 PolarHBondContact O-N 3.35Å; A706-K710 WeakPolarHBondContact O-CB 3.32Å; A706-K710 WeakPolarHBondContact O-CG 3.29Å; A706-K710 PolarHBondContact O-N 3.41Å |
| 707 | E | 77.2 | Confident | 76.1 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 173.8 | -75.9 | -170.1 | 168 | 0 | 0 | 112.7 | E703 R705 E709 K710 K711 | E703-E707 PolarHBondContact O-N 2.9Å; R705-E707 VanDerWaalsContact C-N 3.34Å; R705-E707 PolarHBondContact O-N 3.4Å; E707-E709 VanDerWaalsContact C-N 3.28Å; E707-E709 PolarHBondContact O-N 3.32Å; E707-K710 PolarHBondContact O-N 2.9Å; E707-K711 PolarHBondContact O-N 3.5Å |
| 708 | S | 78.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 177 | 78.8 | 0 | 0 | 0 | 0 | 112 | I704 R705 N712 | I704-S708 WeakPolarHBondContact O-CB 3.45Å; I704-S708 PolarHBondContact O-N 3.43Å; R705-S708 PolarHBondContact O-N 3.31Å; R705-S708 VanDerWaalsContact O-N 3.13Å; R705-S708 PolarHBondContact O-OG 3.35Å; S708-N712 PolarHBondContact O-N 3.21Å |
| 709 | E | 74.5 | Confident | 73.1 | Confident | 127 Ų | 127 | 110.6 Ų | 110.6 | 59% | 0.593 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.9 | -39.8 | 175.4 | -71.6 | 178.4 | -175.1 | 0 | 0 | 111.9 | R705 A706 E707 K711 N712 K713 | R705-E709 WeakPolarHBondContact O-CG 3.33Å; R705-E709 PolarHBondContact O-N 2.99Å; A706-E709 PolarHBondContact O-N 3.35Å; E707-E709 VanDerWaalsContact C-N 3.28Å; E707-E709 PolarHBondContact O-N 3.32Å; E709-K711 VanDerWaalsContact C-N 3.32Å; E709-K711 PolarHBondContact O-N 2.95Å; E709-N712 CarbonylContact O-C 3.52Å; E709-N712 WeakPolarHBondContact O-CA 3.4Å; E709-N712 PolarHBondContact O-N 2.9Å; E709-K713 PolarHBondContact O-N 2.81Å |
| 710 | K | 71 | Confident | 72.1 | Confident | 97 Ų | 97 | 118.3 Ų | 118.3 | 42% | 0.422 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -58.6 | -41.1 | 172.5 | -78.1 | -179.5 | 179 | -176.8 | 0 | 111.8 | A706 E707 N712 K713 | A706-K710 WeakPolarHBondContact O-CB 3.32Å; A706-K710 WeakPolarHBondContact O-CG 3.29Å; A706-K710 PolarHBondContact O-N 3.41Å; E707-K710 PolarHBondContact O-N 2.9Å; K710-N712 PolarHBondContact O-N 3.49Å; K710-K713 CarbonylContact O-C 3.51Å; K710-K713 PolarHBondContact O-N 3.05Å; K710-K713 VanDerWaalsContact O-N 3.08Å |
| 711 | K | 68.8 | Low | 71.5 | Confident | 180 Ų | 180 | 122.1 Ų | 122.1 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.7 | -31.1 | 173.6 | -78.8 | 178.6 | 178.7 | 169.1 | 0 | 113.1 | E707 E709 | E707-K711 PolarHBondContact O-N 3.5Å; E709-K711 VanDerWaalsContact C-N 3.32Å; E709-K711 PolarHBondContact O-N 2.95Å |
| 712 | N | 73.2 | Confident | 70.9 | Confident | 138 Ų | 138 | 121.7 Ų | 121.7 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.3 | -15.7 | 176.7 | -70.9 | -28.5 | 0 | 0 | 0 | 113.4 | S708 E709 K710 | S708-N712 PolarHBondContact O-N 3.21Å; E709-N712 CarbonylContact O-C 3.52Å; E709-N712 WeakPolarHBondContact O-CA 3.4Å; E709-N712 PolarHBondContact O-N 2.9Å; K710-N712 PolarHBondContact O-N 3.49Å |
| 713 | K | 69.6 | Low | 70.4 | Confident | 159 Ų | 159 | 122.2 Ų | 122.2 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | trans | -142.3 | 87.2 | -178.5 | -69 | -176.8 | -178.2 | 173.5 | 0 | 111.4 | E709 K710 N715 A716 | E709-K713 PolarHBondContact O-N 2.81Å; K710-K713 CarbonylContact O-C 3.51Å; K710-K713 PolarHBondContact O-N 3.05Å; K710-K713 VanDerWaalsContact O-N 3.08Å; K713-N715 PolarHBondContact O-N 3.07Å; K713-N715 VanDerWaalsContact O-N 3.11Å; K713-A716 PolarHBondContact O-N 3.41Å | ||
| 714 | P | 59.9 | Low | 70.4 | Confident | 119 Ų | 119 | 118.4 Ų | 118.4 | 77% | 0.773 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -14.1 | -174.4 | 22 | -30.6 | 0 | 0 | 0 | 115.4 | ||
| 715 | N | 62.5 | Low | 70.4 | Confident | 164 Ų | 164 | 117 Ų | 117 | 88% | 0.877 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 11.9 | 179.8 | -86.2 | 13.3 | 0 | 0 | 0 | 114.3 | K713 M717 | K713-N715 PolarHBondContact O-N 3.07Å; K713-N715 VanDerWaalsContact O-N 3.11Å; N715-M717 PolarHBondContact O-N 3.14Å |
| 716 | A | 59 | Low | 70.9 | Confident | 56 Ų | 56 | 113.8 Ų | 113.8 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | trans | -74.1 | 124.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | K713 | K713-A716 PolarHBondContact O-N 3.41Š| ||
| 717 | M | 55.6 | Low | 71.5 | Confident | 169 Ų | 169 | 112.1 Ų | 112.1 | 83% | 0.833 | 58% | 0.577 | S | S | * | * | trans | -60.3 | 148.8 | 176.2 | -71 | -149.7 | -165.4 | 0 | 0 | 111.7 | N715 D719 | N715-M717 PolarHBondContact O-N 3.14Å; M717-D719 PolarHBondContact O-N 3.28Å | ||
| 718 | E | 54.6 | Low | 72.3 | Confident | 173 Ų | 173 | 108.4 Ų | 108.4 | 81% | 0.808 | 56% | 0.563 | S | S | * | * | trans | -75.8 | 92.6 | 167.8 | -71.8 | 178.6 | 162.3 | 0 | 0 | 109.2 | ||||
| 719 | D | 60.2 | Low | 73 | Confident | 139 Ų | 139 | 111.5 Ų | 111.5 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | trans | -85.7 | 124.8 | 156.3 | -85.6 | -36.5 | 0 | 0 | 0 | 107.8 | M717 F721 | M717-D719 PolarHBondContact O-N 3.28Å; D719-F721 HydrophobicContact CB-CB 4.29Å; D719-F721 PolarHBondContact O-N 3.21Å | ||
| 720 | D | 64.8 | Low | 73.9 | Confident | 180 Ų | 180 | 113.2 Ų | 113.2 | 96% | 0.963 | 57% | 0.567 | S | S | * | * | trans | -71.5 | 50.8 | 169.9 | -114.4 | -6.5 | 0 | 0 | 0 | 109.9 | D722 | D720-D722 PolarHBondContact O-N 3.22Š| ||
| 721 | F | 72.6 | Confident | 75 | Confident | 162 Ų | 162 | 108.7 Ų | 108.7 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | trans | -86.4 | 111.4 | -177.4 | -177.9 | -102.4 | 0 | 0 | 0 | 109.6 | D719 P723 | D719-F721 HydrophobicContact CB-CB 4.29Å; D719-F721 PolarHBondContact O-N 3.21Å; F721-P723 HydrophobicContact CE1-CB 4.49Å; F721-P723 VanDerWaalsContact O-CD 3.29Å; F721-P723 WeakPolarHBondContact O-CD 3.36Å | ||
| 722 | D | 76.5 | Confident | 76.3 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | trans | -69.6 | 113.4 | 166.8 | -176.4 | -15.8 | 0 | 0 | 0 | 108.9 | D720 V724 P725 | D720-D722 PolarHBondContact O-N 3.22Å; D722-V724 PolarHBondContact O-N 3.33Å; D722-V724 PolarHBondContact OD1-N 3.07Å; D722-P725 HydrophobicContact CB-CB 4.38Å; D722-P725 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 723 | P | 74.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 99.2 Ų | 99.2 | 28% | 0.279 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -68.6 | -23.1 | -177.2 | 28.7 | -34.5 | 0 | 0 | 0 | 113.3 | A702 E703 F721 | A702-P723 HydrophobicContact CB-CB 3.48Å; A702-P723 VanDerWaalsContact CB-CB 3.48Å; A702-P723 HydrophobicContact CB-CG 3.66Å; E703-P723 HydrophobicContact CG-CG 4.47Å; F721-P723 HydrophobicContact CE1-CB 4.49Å; F721-P723 VanDerWaalsContact O-CD 3.29Å; F721-P723 WeakPolarHBondContact O-CD 3.36Å |
| 724 | V | 82.1 | Confident | 78.3 | Confident | 20 Ų | 20 | 94.6 Ų | 94.6 | 12% | 0.121 | 48% | 0.482 | C | S | . | . | trans | -138.2 | 70.2 | -177.3 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | A695 E698 D722 E726 | A695-V724 HydrophobicContact CB-CG1 4.13Å; E698-V724 HydrophobicContact CB-CG2 3.98Å; E698-V724 HydrophobicContact CG-CG2 3.79Å; D722-V724 PolarHBondContact O-N 3.33Å; D722-V724 PolarHBondContact OD1-N 3.07Å; V724-E726 PolarHBondContact O-N 2.94Å | ||
| 725 | P | 82.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 89.3 Ų | 89.3 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | trans | -69.8 | -23.7 | -172.4 | 28.7 | -35.5 | 0 | 0 | 0 | 113.1 | P662 D722 | P662-P725 VanDerWaalsContact CB-O 3.32Å; P662-P725 WeakPolarHBondContact CB-O 3.38Å; P662-P725 WeakPolarHBondContact CG-O 3.42Å; D722-P725 HydrophobicContact CB-CB 4.38Å; D722-P725 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 726 | E | 92.2 | Very high | 81.3 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -137.4 | 148.6 | -173.8 | -61.4 | -177.7 | 157 | 0 | 0 | 111.8 | P662 A664 V724 T728 | P662-E726 HydrophobicContact CB-CG 4.39Å; P662-E726 WeakPolarHBondContact O-CA 3.45Å; A664-E726 VanDerWaalsContact CA-OE2 3.26Å; A664-E726 WeakPolarHBondContact CA-OE2 3.29Å; A664-E726 HydrophobicContact CB-CB 3.9Å; V724-E726 PolarHBondContact O-N 2.94Å; E726-T728 PolarHBondContact O-N 3.26Å |
| 727 | I | 93 | Very high | 82.8 | Confident | 8 Ų | 8 | 89.8 Ų | 89.8 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 106.9 | 172.7 | -55.3 | 167.8 | 0 | 0 | 0 | 108 | P662 I663 A664 V667 A691 C692 A695 H731 F732 | P662-I727 WeakPolarHBondContact O-CG1 3.35Å; P662-I727 PolarHBondContact O-N 2.88Å; I663-I727 HydrophobicContact CD1-CB 4.04Å; I663-I727 HydrophobicContact CD1-CD1 3.82Å; I663-I727 HydrophobicContact CD1-CG1 4.42Å; A664-I727 WeakPolarHBondContact CB-O 3.48Å; A664-I727 PolarHBondContact N-O 3.29Å; V667-I727 WeakPolarHBondContact CG2-O 3.25Å; A691-I727 HydrophobicContact CB-CG2 4.1Å; C692-I727 HydrophobicContact CB-CD1 4.17Å; C692-I727 WeakPolarHBondContact SG-CD1 3.44Å; A695-I727 HydrophobicContact CB-CG1 3.98Å; I727-H731 HydrophobicContact CG2-CB 3.89Å; I727-F732 HydrophobicContact CB-CE2 4.5Å; I727-F732 HydrophobicContact CG2-CD2 4.1Å; I727-F732 HydrophobicContact CG2-CE2 3.59Å; I727-F732 HydrophobicContact CG2-CZ 4.26Å |
| 728 | T | 93.4 | Very high | 84.2 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 29% | 0.288 | 42% | 0.416 | S | S | . | . | trans | -82 | 167.9 | -177.4 | 68.6 | 0 | 0 | 0 | 0 | 114 | A664 E726 R730 H731 | A664-T728 HydrophobicContact CB-CG2 4.35Å; E726-T728 PolarHBondContact O-N 3.26Å; T728-R730 PolarHBondContact O-N 2.94Å; T728-H731 PolarHBondContact N-ND1 3.34Å; T728-H731 WeakPolarHBondContact O-CB 3.1Å; T728-H731 PolarHBondContact O-N 3.19Å; T728-H731 VanDerWaalsContact O-N 3.14Å; T728-H731 PolarHBondContact OG1-ND1 3.34Å | ||
| 729 | R | 94 | Very high | 85.8 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -51.8 | -41.1 | 171.4 | -177.9 | -176.4 | -63.1 | 174 | -0.3 | 113 | D666 H731 F732 E733 | D666-R729 PolarHBondContact O-NE 3.49Å; D666-R729 PolarHBondContact O-NH2 3.04Å; D666-R729 WeakPolarHBondContact OD2-CB 3.46Å; R729-H731 VanDerWaalsContact C-N 3.27Å; R729-H731 PolarHBondContact O-N 3.4Å; R729-F732 PolarHBondContact O-N 3.33Å; R729-F732 VanDerWaalsContact O-N 3.09Å; R729-E733 WeakPolarHBondContact CD-OE1 3.49Å; R729-E733 HydrophobicContact CG-CG 4.28Å; R729-E733 WeakPolarHBondContact O-CG 3.39Å; R729-E733 PolarHBondContact O-N 3.38Å |
| 730 | R | 93.4 | Very high | 87.1 | Confident | 163 Ų | 163 | 83.7 Ų | 83.7 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.9 | -38.9 | 179.8 | 177.9 | -177.6 | 165.7 | 169.7 | -6.4 | 112 | T728 F732 E733 E734 | T728-R730 PolarHBondContact O-N 2.94Å; R730-F732 VanDerWaalsContact C-N 3.33Å; R730-F732 PolarHBondContact O-N 3.12Å; R730-E733 PolarHBondContact O-N 2.93Å; R730-E734 PolarHBondContact O-N 3.32Å |
| 731 | H | 94.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 178 | -57.3 | 144 | 0 | 0 | 0 | 111.9 | A691 Q694 A695 E698 I727 T728 R729 A735 | A691-H731 HydrophobicContact CB-CB 4.27Å; Q694-H731 HydrophobicContact CB-CB 4.41Å; A695-H731 VanDerWaalsContact CB-CE1 3.48Å; A695-H731 WeakPolarHBondContact CB-CE1 3.33Å; E698-H731 IonicContact OE2-CD2 3.22Å; E698-H731 IonicContact OE2-NE2 2.68Å; E698-H731 PolarHBondContact OE2-NE2 3.28Å; I727-H731 HydrophobicContact CG2-CB 3.89Å; T728-H731 PolarHBondContact N-ND1 3.34Å; T728-H731 WeakPolarHBondContact O-CB 3.1Å; T728-H731 PolarHBondContact O-N 3.19Å; T728-H731 VanDerWaalsContact O-N 3.14Å; T728-H731 PolarHBondContact OG1-ND1 3.34Å; R729-H731 VanDerWaalsContact C-N 3.27Å; R729-H731 PolarHBondContact O-N 3.4Å; H731-A735 WeakPolarHBondContact O-CB 3.47Å; H731-A735 PolarHBondContact O-N 2.99Å |
| 732 | F | 95.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 175.5 | -78.1 | -77.9 | 0 | 0 | 0 | 112.7 | L658 I663 V667 L672 I687 A691 I727 R729 R730 E734 A735 M736 | L658-F732 HydrophobicContact CD1-CE1 4.19Å; L658-F732 HydrophobicContact CD1-CZ 3.64Å; L658-F732 HydrophobicContact CD2-CZ 3.94Å; L658-F732 HydrophobicContact CG-CZ 4.46Å; I663-F732 HydrophobicContact CD1-CE2 4.48Å; I663-F732 HydrophobicContact CD1-CZ 4.48Å; V667-F732 HydrophobicContact CG1-CD2 3.67Å; V667-F732 HydrophobicContact CG1-CE2 3.64Å; V667-F732 HydrophobicContact CG1-CG 4.44Å; V667-F732 HydrophobicContact CG1-CZ 4.4Å; V667-F732 HydrophobicContact CG2-CD2 3.94Å; V667-F732 HydrophobicContact CG2-CE2 4.08Å; L672-F732 HydrophobicContact CD1-CB 4.39Å; L672-F732 HydrophobicContact CD1-CD1 3.63Å; L672-F732 HydrophobicContact CD1-CE1 4Å; L672-F732 HydrophobicContact CD1-CG 3.95Å; L672-F732 HydrophobicContact CD2-CB 4.32Å; I687-F732 HydrophobicContact CG2-CD1 4.33Å; A691-F732 HydrophobicContact CB-CD1 3.69Å; A691-F732 HydrophobicContact CB-CD2 4.22Å; A691-F732 HydrophobicContact CB-CE1 3.67Å; A691-F732 HydrophobicContact CB-CE2 4.2Å; A691-F732 HydrophobicContact CB-CG 3.97Å; A691-F732 HydrophobicContact CB-CZ 3.93Å; I727-F732 HydrophobicContact CB-CE2 4.5Å; I727-F732 HydrophobicContact CG2-CD2 4.1Å; I727-F732 HydrophobicContact CG2-CE2 3.59Å; I727-F732 HydrophobicContact CG2-CZ 4.26Å; R729-F732 PolarHBondContact O-N 3.33Å; R729-F732 VanDerWaalsContact O-N 3.09Å; R730-F732 VanDerWaalsContact C-N 3.33Å; R730-F732 PolarHBondContact O-N 3.12Å; F732-E734 VanDerWaalsContact C-N 3.33Å; F732-E734 PolarHBondContact O-N 3.11Å; F732-A735 PolarHBondContact O-N 3.27Å; F732-M736 WeakPolarHBondContact O-CB 3.49Å; F732-M736 VanDerWaalsContact O-CG 3.22Å; F732-M736 WeakPolarHBondContact O-CG 3.49Å; F732-M736 PolarHBondContact O-N 2.82Å |
| 733 | E | 94.4 | Very high | 89.6 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.1 | -72.9 | 173.8 | 176.6 | 0 | 0 | 111.2 | R729 R730 M736 R737 | R729-E733 WeakPolarHBondContact CD-OE1 3.49Å; R729-E733 HydrophobicContact CG-CG 4.28Å; R729-E733 WeakPolarHBondContact O-CG 3.39Å; R729-E733 PolarHBondContact O-N 3.38Å; R730-E733 PolarHBondContact O-N 2.93Å; E733-M736 PolarHBondContact O-N 3.41Å; E733-R737 WeakPolarHBondContact O-CG 3.11Å; E733-R737 PolarHBondContact O-N 3.43Å; E733-R737 VanDerWaalsContact O-N 3.12Å |
| 734 | E | 90.7 | Very high | 90.3 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176.2 | -170.8 | 65.3 | -175.6 | 0 | 0 | 111.8 | R730 F732 M736 R737 F738 | R730-E734 PolarHBondContact O-N 3.32Å; F732-E734 VanDerWaalsContact C-N 3.33Å; F732-E734 PolarHBondContact O-N 3.11Å; E734-M736 VanDerWaalsContact C-N 3.3Å; E734-M736 PolarHBondContact O-N 3.11Å; E734-R737 PolarHBondContact O-N 3.1Å; E734-R737 IonicContact OE1-NH1 3.78Å; E734-R737 WeakPolarHBondContact OE2-CD 3.37Å; E734-R737 IonicContact OE2-CZ 3.74Å; E734-R737 IonicContact OE2-NH1 3.47Å; E734-R737 PolarHBondContact OE2-NH1 3.03Å; E734-F738 WeakPolarHBondContact O-CD2 3.42Å |
| 735 | A | 92.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 77 Ų | 77 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I687 R690 A691 H731 F732 F738 A739 | I687-A735 HydrophobicContact CG2-CB 4.31Å; R690-A735 HydrophobicContact CB-CB 3.88Å; A691-A735 HydrophobicContact CB-CB 4.15Å; H731-A735 WeakPolarHBondContact O-CB 3.47Å; H731-A735 PolarHBondContact O-N 2.99Å; F732-A735 PolarHBondContact O-N 3.27Å; A735-F738 PolarHBondContact O-N 3.11Å; A735-A739 PolarHBondContact O-N 3.22Å |
| 736 | M | 92.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 78.8 Ų | 78.8 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 179.2 | -76.1 | -65.7 | -68.6 | 0 | 0 | 113 | L672 A675 T676 I687 F732 E733 E734 F738 A739 | L672-M736 HydrophobicContact CD2-CG 4.18Å; A675-M736 HydrophobicContact CB-CE 4.09Å; T676-M736 HydrophobicContact CG2-CE 3.91Å; T676-M736 HydrophobicContact CG2-SD 3.98Å; I687-M736 HydrophobicContact CD1-SD 3.82Å; I687-M736 HydrophobicContact CG1-SD 4.34Å; I687-M736 HydrophobicContact CG2-SD 4.09Å; F732-M736 WeakPolarHBondContact O-CB 3.49Å; F732-M736 VanDerWaalsContact O-CG 3.22Å; F732-M736 WeakPolarHBondContact O-CG 3.49Å; F732-M736 PolarHBondContact O-N 2.82Å; E733-M736 PolarHBondContact O-N 3.41Å; E734-M736 VanDerWaalsContact C-N 3.3Å; E734-M736 PolarHBondContact O-N 3.11Å; M736-F738 PolarHBondContact O-N 3.03Å; M736-F738 VanDerWaalsContact O-N 3.15Å; M736-A739 WeakPolarHBondContact O-CB 3.22Å; M736-A739 PolarHBondContact O-N 3.28Å; M736-A739 VanDerWaalsContact O-N 3.09Å; M736-A739 HydrophobicContact SD-CB 4.3Å |
| 737 | R | 90.4 | Very high | 90.5 | Very high | 183 Ų | 183 | 77.2 Ų | 77.2 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58 | -28.9 | 177.3 | -75.8 | 173.3 | 76.9 | -160.1 | 5.6 | 113.5 | E733 E734 | E733-R737 WeakPolarHBondContact O-CG 3.11Å; E733-R737 PolarHBondContact O-N 3.43Å; E733-R737 VanDerWaalsContact O-N 3.12Å; E734-R737 PolarHBondContact O-N 3.1Å; E734-R737 IonicContact OE1-NH1 3.78Å; E734-R737 WeakPolarHBondContact OE2-CD 3.37Å; E734-R737 IonicContact OE2-CZ 3.74Å; E734-R737 IonicContact OE2-NH1 3.47Å; E734-R737 PolarHBondContact OE2-NH1 3.03Å |
| 738 | F | 85.4 | Confident | 90.1 | Very high | 128 Ų | 128 | 77.9 Ų | 77.9 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 4.6 | 179.8 | -60.6 | -79.6 | 0 | 0 | 0 | 113.1 | R690 E734 A735 M736 | R690-F738 VanDerWaalsContact NH1-CB 3.33Å; R690-F738 PolarHBondContact NH1-O 3.01Å; E734-F738 WeakPolarHBondContact O-CD2 3.42Å; A735-F738 PolarHBondContact O-N 3.11Å; M736-F738 PolarHBondContact O-N 3.03Å; M736-F738 VanDerWaalsContact O-N 3.15Å |
| 739 | A | 87.9 | Confident | 89.8 | Confident | 27 Ų | 27 | 82.8 Ų | 82.8 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | trans | -68.9 | 134.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F679 I687 A735 M736 | F679-A739 HydrophobicContact CE1-CB 3.91Å; F679-A739 HydrophobicContact CZ-CB 4.29Å; I687-A739 HydrophobicContact CD1-CB 3.97Å; I687-A739 HydrophobicContact CG1-CB 3.83Å; A735-A739 PolarHBondContact O-N 3.22Å; M736-A739 WeakPolarHBondContact O-CB 3.22Å; M736-A739 PolarHBondContact O-N 3.28Å; M736-A739 VanDerWaalsContact O-N 3.09Å; M736-A739 HydrophobicContact SD-CB 4.3Å | ||
| 740 | R | 87.4 | Confident | 89.4 | Confident | 198 Ų | 198 | 83.4 Ų | 83.4 | 75% | 0.747 | 38% | 0.377 | S | S | * | . | trans | -127.4 | 139.9 | -178.1 | -177.4 | -177.4 | 174.7 | -171 | 0.3 | 109.8 | ||||
| 741 | R | 90.4 | Very high | 89.1 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | trans | -74.8 | 120.6 | 168.1 | -65.5 | 171.9 | 63 | -169.7 | 0.5 | 109.3 | G678 F679 E745 | G678-R741 PolarHBondContact O-NE 3.32Å; F679-R741 HydrophobicContact CD2-CG 3.68Å; F679-R741 HydrophobicContact CE1-CG 4.35Å; F679-R741 HydrophobicContact CE2-CG 3.48Å; F679-R741 VanDerWaalsContact CE2-CG 3.48Å; F679-R741 HydrophobicContact CG-CG 4.23Å; F679-R741 HydrophobicContact CZ-CG 3.84Å; R741-E745 IonicContact NH1-OE1 3.6Å | ||
| 742 | S | 88.4 | Confident | 88.6 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -76.2 | -25.8 | 175.6 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | S680 D683 | S680-S742 PolarHBondContact OG-OG 2.82Å; D683-S742 WeakPolarHBondContact OD1-CB 3.34Å; D683-S742 PolarHBondContact OD1-N 3.18Å; D683-S742 PolarHBondContact OD1-OG 3.06Å; D683-S742 PolarHBondContact OD2-N 3.21Å; D683-S742 VanDerWaalsContact OD2-N 3.12Å; D683-S742 PolarHBondContact OD2-OG 2.56Å; D683-S742 VanDerWaalsContact OD2-OG 3.06Å |
| 743 | V | 88.5 | Confident | 88 | Confident | 4 Ų | 4 | 86.8 Ų | 86.8 | 2% | 0.024 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -107.9 | 124.9 | -176.9 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | P516 P517 L644 D747 V748 | P516-V743 HydrophobicContact CB-CG1 3.91Å; P516-V743 HydrophobicContact CB-CG2 3.83Å; P517-V743 HydrophobicContact CG-CG2 4.39Å; L644-V743 HydrophobicContact CD1-CB 4.48Å; L644-V743 HydrophobicContact CD1-CG1 4.4Å; L644-V743 HydrophobicContact CD2-CB 4.41Å; L644-V743 HydrophobicContact CD2-CG2 4.24Å; V743-D747 HydrophobicContact CG1-CB 4.12Å; V743-V748 HydrophobicContact CG1-CG2 3.81Å |
| 744 | T | 89 | Confident | 87.4 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | trans | -81.4 | 155.9 | 178 | 76.5 | 0 | 0 | 0 | 0 | 111.6 | N746 D747 V748 | T744-N746 PolarHBondContact O-N 3.12Å; T744-D747 WeakPolarHBondContact O-CB 3.39Å; T744-D747 PolarHBondContact O-N 3.5Å; T744-D747 PolarHBondContact OG1-N 2.95Å; T744-D747 PolarHBondContact OG1-OD2 3.26Å; T744-V748 WeakPolarHBondContact O-CG2 3.47Å; T744-V748 PolarHBondContact O-N 3.33Å; T744-V748 VanDerWaalsContact O-N 3.1Å | ||
| 745 | E | 86.2 | Confident | 86.9 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 177.8 | -134.7 | 158 | -120.1 | 0 | 0 | 112.8 | R741 D747 V748 R749 | R741-E745 IonicContact NH1-OE1 3.6Å; E745-D747 VanDerWaalsContact C-N 3.32Å; E745-V748 PolarHBondContact O-N 3.08Å; E745-R749 WeakPolarHBondContact O-CG 3.49Å; E745-R749 PolarHBondContact O-N 3.32Å; E745-R749 VanDerWaalsContact O-N 3.11Å |
| 746 | N | 87.4 | Confident | 86.3 | Confident | 109 Ų | 109 | 86 Ų | 86 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 174.3 | -73 | -21.2 | 0 | 0 | 0 | 111.8 | T744 K750 | T744-N746 PolarHBondContact O-N 3.12Å; N746-K750 WeakPolarHBondContact O-CG 3.49Å; N746-K750 PolarHBondContact O-N 2.75Å |
| 747 | D | 85.5 | Confident | 85.5 | Confident | 51 Ų | 51 | 87.8 Ų | 87.8 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 177.2 | -60.4 | -40.1 | 0 | 0 | 0 | 111 | V743 T744 E745 R749 K750 Y751 | V743-D747 HydrophobicContact CG1-CB 4.12Å; T744-D747 WeakPolarHBondContact O-CB 3.39Å; T744-D747 PolarHBondContact O-N 3.5Å; T744-D747 PolarHBondContact OG1-N 2.95Å; T744-D747 PolarHBondContact OG1-OD2 3.26Å; E745-D747 VanDerWaalsContact C-N 3.32Å; D747-R749 VanDerWaalsContact C-N 3.34Å; D747-R749 PolarHBondContact O-N 3.43Å; D747-K750 WeakPolarHBondContact O-CB 3.5Å; D747-K750 PolarHBondContact O-N 3.21Å; D747-K750 VanDerWaalsContact O-N 3.11Å; D747-K750 IonicContact OD1-NZ 2.9Å; D747-Y751 HydrophobicContact CB-CE2 4.36Å; D747-Y751 WeakPolarHBondContact O-CD2 3.35Å; D747-Y751 PolarHBondContact O-N 2.84Å; D747-Y751 VanDerWaalsContact O-N 3.14Å |
| 748 | V | 85.7 | Confident | 84.6 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.6 | -49.8 | 175 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L644 V743 T744 E745 K750 Y751 E752 | L644-V748 HydrophobicContact CD1-CG2 3.4Å; L644-V748 VanDerWaalsContact CD1-CG2 3.4Å; L644-V748 HydrophobicContact CG-CG2 4.43Å; V743-V748 HydrophobicContact CG1-CG2 3.81Å; T744-V748 WeakPolarHBondContact O-CG2 3.47Å; T744-V748 PolarHBondContact O-N 3.33Å; T744-V748 VanDerWaalsContact O-N 3.1Å; E745-V748 PolarHBondContact O-N 3.08Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 2.64Å; V748-Y751 PolarHBondContact O-N 3.4Å; V748-Y751 VanDerWaalsContact O-N 3.09Å; V748-E752 HydrophobicContact CG1-CG 4.36Å; V748-E752 WeakPolarHBondContact O-CG 3.39Å; V748-E752 PolarHBondContact O-N 3.27Å |
| 749 | R | 86.7 | Confident | 83.7 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.3 | -37.3 | 177.7 | -73 | -178.9 | -174.6 | 171.9 | 4.2 | 112.7 | E745 D747 E752 M753 | E745-R749 WeakPolarHBondContact O-CG 3.49Å; E745-R749 PolarHBondContact O-N 3.32Å; E745-R749 VanDerWaalsContact O-N 3.11Å; D747-R749 VanDerWaalsContact C-N 3.34Å; D747-R749 PolarHBondContact O-N 3.43Å; R749-E752 PolarHBondContact O-N 3Å; R749-M753 WeakPolarHBondContact O-CB 3.3Å; R749-M753 WeakPolarHBondContact O-CG 3.25Å; R749-M753 PolarHBondContact O-N 3.47Å |
| 750 | K | 86.3 | Confident | 82.5 | Confident | 137 Ų | 137 | 87.1 Ų | 87.1 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 176.2 | -71.7 | 171 | -172.6 | 167 | 0 | 111.6 | N746 D747 V748 F754 | N746-K750 WeakPolarHBondContact O-CG 3.49Å; N746-K750 PolarHBondContact O-N 2.75Å; D747-K750 WeakPolarHBondContact O-CB 3.5Å; D747-K750 PolarHBondContact O-N 3.21Å; D747-K750 VanDerWaalsContact O-N 3.11Å; D747-K750 IonicContact OD1-NZ 2.9Å; V748-K750 VanDerWaalsContact C-N 3.27Å; V748-K750 PolarHBondContact O-N 2.64Å; K750-F754 VanDerWaalsContact O-CB 3.32Å; K750-F754 WeakPolarHBondContact O-CB 3.37Å; K750-F754 PolarHBondContact O-N 3.04Å |
| 751 | Y | 86.5 | Confident | 81.2 | Confident | 27 Ų | 27 | 82 Ų | 82 | 11% | 0.106 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.9 | -67.9 | -71.8 | 0 | 0 | 0 | 112.4 | G515 P516 N621 P623 Y641 D747 V748 F754 A755 | G515-Y751 VanDerWaalsContact C-CE1 3.47Å; P516-Y751 HydrophobicContact CB-CD2 4.28Å; P516-Y751 HydrophobicContact CB-CE2 3.91Å; P516-Y751 HydrophobicContact CG-CD2 4.36Å; P516-Y751 HydrophobicContact CG-CE2 4.45Å; N621-Y751 WeakPolarHBondContact O-CE1 3.44Å; N621-Y751 PolarHBondContact O-OH 3.34Å; P623-Y751 HydrophobicContact CG-CD1 4.46Å; P623-Y751 HydrophobicContact CG-CE1 4.47Å; Y641-Y751 HydrophobicContact CE2-CG 4.36Å; D747-Y751 HydrophobicContact CB-CE2 4.36Å; D747-Y751 WeakPolarHBondContact O-CD2 3.35Å; D747-Y751 PolarHBondContact O-N 2.84Å; D747-Y751 VanDerWaalsContact O-N 3.14Å; V748-Y751 PolarHBondContact O-N 3.4Å; V748-Y751 VanDerWaalsContact O-N 3.09Å; Y751-F754 PolarHBondContact O-N 3.38Å; Y751-A755 WeakPolarHBondContact O-CB 3.38Å; Y751-A755 PolarHBondContact O-N 3.3Å |
| 752 | E | 84.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 176.6 | -70.9 | 175.8 | 166.8 | 0 | 0 | 111.6 | V748 R749 F754 A755 Q756 | V748-E752 HydrophobicContact CG1-CG 4.36Å; V748-E752 WeakPolarHBondContact O-CG 3.39Å; V748-E752 PolarHBondContact O-N 3.27Å; R749-E752 PolarHBondContact O-N 3Å; E752-F754 VanDerWaalsContact C-N 3.32Å; E752-F754 PolarHBondContact O-N 2.92Å; E752-A755 PolarHBondContact O-N 3.09Å; E752-Q756 WeakPolarHBondContact O-CG 3.36Å; E752-Q756 PolarHBondContact O-N 3.3Å |
| 753 | M | 82.9 | Confident | 78 | Confident | 122 Ų | 122 | 82.9 Ų | 82.9 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 175.6 | -69.9 | -74.4 | -90.9 | 0 | 0 | 111.4 | R749 Q756 T757 | R749-M753 WeakPolarHBondContact O-CB 3.3Å; R749-M753 WeakPolarHBondContact O-CG 3.25Å; R749-M753 PolarHBondContact O-N 3.47Å; M753-Q756 PolarHBondContact O-N 3.48Å; M753-T757 WeakPolarHBondContact O-CB 3.49Å; M753-T757 PolarHBondContact O-N 2.96Å; M753-T757 PolarHBondContact O-OG1 3.44Å |
| 754 | F | 81.5 | Confident | 76 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 23% | 0.228 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.6 | -175.6 | -95.5 | 0 | 0 | 0 | 111.8 | Y514 P623 K750 Y751 E752 Q756 T757 L758 | Y514-F754 AromaticContact CD2-CD1 3.92Å; Y514-F754 HydrophobicContact CD2-CD1 3.92Å; Y514-F754 HydrophobicContact CD2-CE1 4.1Å; Y514-F754 AromaticContact CE2-CD1 3.66Å; Y514-F754 HydrophobicContact CE2-CD1 3.66Å; Y514-F754 HydrophobicContact CE2-CE1 4.05Å; P623-F754 HydrophobicContact CB-CD1 4.02Å; P623-F754 HydrophobicContact CB-CE1 3.37Å; P623-F754 HydrophobicContact CB-CE2 4.33Å; P623-F754 HydrophobicContact CB-CZ 3.58Å; P623-F754 HydrophobicContact CG-CD1 3.73Å; P623-F754 HydrophobicContact CG-CE1 3.64Å; P623-F754 HydrophobicContact CG-CE2 4.49Å; P623-F754 HydrophobicContact CG-CG 4.2Å; P623-F754 HydrophobicContact CG-CZ 4.07Å; K750-F754 VanDerWaalsContact O-CB 3.32Å; K750-F754 WeakPolarHBondContact O-CB 3.37Å; K750-F754 PolarHBondContact O-N 3.04Å; Y751-F754 PolarHBondContact O-N 3.38Å; E752-F754 VanDerWaalsContact C-N 3.32Å; E752-F754 PolarHBondContact O-N 2.92Å; F754-Q756 PolarHBondContact O-N 3.01Å; F754-T757 PolarHBondContact O-N 2.92Å; F754-L758 HydrophobicContact CD1-CD1 3.71Å; F754-L758 HydrophobicContact CE1-CD1 3.1Å; F754-L758 HydrophobicContact CE1-CG 4.06Å; F754-L758 HydrophobicContact CZ-CD1 3.63Å; F754-L758 HydrophobicContact CZ-CG 4.22Å; F754-L758 PolarHBondContact O-N 2.97Å |
| 755 | A | 79.8 | Confident | 74.3 | Confident | 11 Ų | 11 | 89.2 Ų | 89.2 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y514 Y641 Y751 E752 L758 Q759 | Y514-A755 HydrophobicContact CE2-CB 4.22Å; Y514-A755 WeakPolarHBondContact OH-CA 3.46Å; Y514-A755 WeakPolarHBondContact OH-CB 3.44Å; Y641-A755 HydrophobicContact CD1-CB 4.29Å; Y641-A755 HydrophobicContact CG-CB 4.28Å; Y751-A755 WeakPolarHBondContact O-CB 3.38Å; Y751-A755 PolarHBondContact O-N 3.3Å; E752-A755 PolarHBondContact O-N 3.09Å; A755-L758 PolarHBondContact O-N 3.44Å; A755-Q759 WeakPolarHBondContact O-CG 3.49Å; A755-Q759 PolarHBondContact O-N 3.42Å |
| 756 | Q | 79.2 | Confident | 72.7 | Confident | 105 Ų | 105 | 91.9 Ų | 91.9 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.7 | -73 | 178.8 | 8.9 | 0 | 0 | 112.1 | E752 M753 F754 L758 Q759 Q760 | E752-Q756 WeakPolarHBondContact O-CG 3.36Å; E752-Q756 PolarHBondContact O-N 3.3Å; M753-Q756 PolarHBondContact O-N 3.48Å; F754-Q756 PolarHBondContact O-N 3.01Å; Q756-L758 VanDerWaalsContact C-N 3.33Å; Q756-L758 PolarHBondContact O-N 3.3Å; Q756-Q759 PolarHBondContact O-N 3.02Å; Q756-Q760 WeakPolarHBondContact O-CG 3.4Å; Q756-Q760 PolarHBondContact O-N 2.89Å |
| 757 | T | 76.7 | Confident | 71.2 | Confident | 86 Ų | 86 | 93.6 Ų | 93.6 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | M753 F754 Q760 S761 | M753-T757 WeakPolarHBondContact O-CB 3.49Å; M753-T757 PolarHBondContact O-N 2.96Å; M753-T757 PolarHBondContact O-OG1 3.44Å; F754-T757 PolarHBondContact O-N 2.92Å; T757-Q760 PolarHBondContact O-N 3.34Å; T757-S761 PolarHBondContact O-N 3.28Å; T757-S761 PolarHBondContact O-OG 2.86Å |
| 758 | L | 70.9 | Confident | 70 | Confident | 30 Ų | 30 | 97.7 Ų | 97.7 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.3 | -93.4 | 169.7 | 0 | 0 | 0 | 113 | Y514 L639 F754 A755 Q756 Q760 S761 R762 | Y514-L758 HydrophobicContact CE1-CD1 4.29Å; L639-L758 HydrophobicContact CD1-CD2 4.18Å; L639-L758 HydrophobicContact CD2-CD1 4.03Å; F754-L758 HydrophobicContact CD1-CD1 3.71Å; F754-L758 HydrophobicContact CE1-CD1 3.1Å; F754-L758 HydrophobicContact CE1-CG 4.06Å; F754-L758 HydrophobicContact CZ-CD1 3.63Å; F754-L758 HydrophobicContact CZ-CG 4.22Å; F754-L758 PolarHBondContact O-N 2.97Å; A755-L758 PolarHBondContact O-N 3.44Å; Q756-L758 VanDerWaalsContact C-N 3.33Å; Q756-L758 PolarHBondContact O-N 3.3Å; L758-Q760 VanDerWaalsContact C-N 3.32Å; L758-Q760 PolarHBondContact O-N 3.47Å; L758-S761 PolarHBondContact O-N 3.16Å; L758-S761 PolarHBondContact O-OG 3.01Å; L758-S761 VanDerWaalsContact O-OG 3.11Å; L758-R762 PolarHBondContact O-N 3.01Å |
| 759 | Q | 66.9 | Low | 69 | Low | 146 Ų | 146 | 105.3 Ų | 105.3 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 175.4 | -75.8 | -177.1 | -4.2 | 0 | 0 | 111.7 | A755 Q756 G763 | A755-Q759 WeakPolarHBondContact O-CG 3.49Å; A755-Q759 PolarHBondContact O-N 3.42Å; Q756-Q759 PolarHBondContact O-N 3.02Å; Q759-G763 PolarHBondContact O-N 3.17Å |
| 760 | Q | 62.7 | Low | 67.9 | Low | 147 Ų | 147 | 105.4 Ų | 105.4 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -37.5 | 177.3 | -71.9 | 177.9 | 12.8 | 0 | 0 | 113 | Q756 T757 L758 R762 | Q756-Q760 WeakPolarHBondContact O-CG 3.4Å; Q756-Q760 PolarHBondContact O-N 2.89Å; T757-Q760 PolarHBondContact O-N 3.34Å; L758-Q760 VanDerWaalsContact C-N 3.32Å; L758-Q760 PolarHBondContact O-N 3.47Å; Q760-R762 VanDerWaalsContact C-N 3.29Å; Q760-R762 PolarHBondContact O-N 3.32Å |
| 761 | S | 60.5 | Low | 66.9 | Low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.6 | -20.1 | -178.4 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | T757 L758 | T757-S761 PolarHBondContact O-N 3.28Å; T757-S761 PolarHBondContact O-OG 2.86Å; L758-S761 PolarHBondContact O-N 3.16Å; L758-S761 PolarHBondContact O-OG 3.01Å; L758-S761 VanDerWaalsContact O-OG 3.11Å |
| 762 | R | 58.1 | Low | 65.5 | Low | 133 Ų | 133 | 107 Ų | 107 | 50% | 0.502 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -99.9 | -19.1 | -179.4 | -77.6 | -172 | 160.9 | -165.9 | -1.8 | 115.2 | D637 L758 Q760 | D637-R762 VanDerWaalsContact O-CZ 3.24Å; D637-R762 PolarHBondContact O-NH1 2.92Å; D637-R762 PolarHBondContact O-NH2 3.44Å; L758-R762 PolarHBondContact O-N 3.01Å; Q760-R762 VanDerWaalsContact C-N 3.29Å; Q760-R762 PolarHBondContact O-N 3.32Å |
| 763 | G | 52.4 | Low | 63.9 | Low | 42 Ų | 42 | 105.5 Ų | 105.5 | 43% | 0.433 | 57% | 0.57 | S | S | . | * | trans | -106 | 128.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q759 G765 | Q759-G763 PolarHBondContact O-N 3.17Å; G763-G765 PolarHBondContact O-N 3.4Å | ||
| 764 | I | 48.1 | Very low | 62.2 | Low | 158 Ų | 158 | 107 Ų | 107 | 81% | 0.81 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -69.4 | 69.1 | 153.8 | -61.3 | 169.7 | 0 | 0 | 0 | 106.8 | ||
| 765 | G | 51.8 | Low | 60.4 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | trans | 56.4 | 140.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | G763 N767 F768 | G763-G765 PolarHBondContact O-N 3.4Å; G765-N767 PolarHBondContact O-N 2.87Å; G765-F768 PolarHBondContact O-N 2.69Å | ||
| 766 | N | 53.6 | Low | 58.3 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 91% | 0.909 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 8.2 | 165.4 | -81.9 | -13.3 | 0 | 0 | 0 | 114.8 | ||
| 767 | N | 55 | Low | 56.2 | Low | 145 Ų | 145 | 110.9 Ų | 110.9 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 10.9 | -174.1 | -71.1 | -8.8 | 0 | 0 | 0 | 113.7 | G765 R769 | G765-N767 PolarHBondContact O-N 2.87Å; N767-R769 PolarHBondContact O-N 3.13Å |
| 768 | F | 61.5 | Low | 54.1 | Low | 137 Ų | 137 | 114 Ų | 114 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | trans | -62.8 | 115.4 | 169.5 | -179.7 | -96.3 | 0 | 0 | 0 | 109.4 | G765 F770 | G765-F768 PolarHBondContact O-N 2.69Å; F768-F770 HydrophobicContact CE1-CD1 4.27Å; F768-F770 HydrophobicContact CE1-CD2 4.14Å; F768-F770 HydrophobicContact CE1-CE1 4.09Å; F768-F770 AromaticContact CE1-CE2 3.95Å; F768-F770 HydrophobicContact CE1-CE2 3.95Å; F768-F770 HydrophobicContact CE1-CG 4.3Å; F768-F770 AromaticContact CE1-CZ 3.92Å; F768-F770 HydrophobicContact CE1-CZ 3.92Å; F768-F770 HydrophobicContact CZ-CD1 4.09Å; F768-F770 AromaticContact CZ-CE1 3.95Å; F768-F770 HydrophobicContact CZ-CE1 3.95Å; F768-F770 HydrophobicContact CZ-CG 4.49Å; F768-F770 HydrophobicContact CZ-CZ 4.22Å | ||
| 769 | R | 64 | Low | 52.2 | Low | 181 Ų | 181 | 118.6 Ų | 118.6 | 68% | 0.683 | 69% | 0.689 | S | S | * | * | trans | -127.4 | 137.1 | 170.9 | -73.1 | -172.8 | 179.1 | -169.9 | 0.3 | 107.8 | N767 S773 | N767-R769 PolarHBondContact O-N 3.13Å; R769-S773 WeakPolarHBondContact CB-OG 3.47Å; R769-S773 WeakPolarHBondContact CD-OG 3.47Å | ||
| 770 | F | 64.4 | Low | 50.5 | Low | 152 Ų | 152 | 117.9 Ų | 117.9 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | -61 | 142.2 | 169.4 | -76.2 | -73.8 | 0 | 0 | 0 | 109.7 | F768 G772 S773 | F768-F770 HydrophobicContact CE1-CD1 4.27Å; F768-F770 HydrophobicContact CE1-CD2 4.14Å; F768-F770 HydrophobicContact CE1-CE1 4.09Å; F768-F770 AromaticContact CE1-CE2 3.95Å; F768-F770 HydrophobicContact CE1-CE2 3.95Å; F768-F770 HydrophobicContact CE1-CG 4.3Å; F768-F770 AromaticContact CE1-CZ 3.92Å; F768-F770 HydrophobicContact CE1-CZ 3.92Å; F768-F770 HydrophobicContact CZ-CD1 4.09Å; F768-F770 AromaticContact CZ-CE1 3.95Å; F768-F770 HydrophobicContact CZ-CE1 3.95Å; F768-F770 HydrophobicContact CZ-CG 4.49Å; F768-F770 HydrophobicContact CZ-CZ 4.22Å; F770-G772 PolarHBondContact O-N 3.35Å; F770-S773 PolarHBondContact O-N 3.47Å; F770-S773 PolarHBondContact O-OG 3.03Å | ||
| 771 | P | 64.4 | Low | 48.9 | Very low | 129 Ų | 129 | 116.2 Ų | 116.2 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 132.1 | 168 | -21.9 | 31.5 | 0 | 0 | 0 | 110 | ||
| 772 | G | 57.1 | Low | 47.3 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.4 | 3.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F770 D774 | F770-G772 PolarHBondContact O-N 3.35Å; G772-D774 PolarHBondContact O-N 2.97Å |
| 773 | S | 51.6 | Low | 45.9 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 42% | 0.42 | 73% | 0.729 | S | S | . | * | trans | -74.8 | 61.8 | 163.3 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | R769 F770 G775 | R769-S773 WeakPolarHBondContact CB-OG 3.47Å; R769-S773 WeakPolarHBondContact CD-OG 3.47Å; F770-S773 PolarHBondContact O-N 3.47Å; F770-S773 PolarHBondContact O-OG 3.03Å; S773-G775 PolarHBondContact O-N 3.03Å | ||
| 774 | D | 45.4 | Very low | 44.9 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 72.7 | 166.2 | -77.1 | -33 | 0 | 0 | 0 | 108.3 | G772 S776 | G772-D774 PolarHBondContact O-N 2.97Å; D774-S776 PolarHBondContact O-N 3.08Å | ||
| 775 | G | 44.5 | Very low | 43.9 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 82.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S773 G777 | S773-G775 PolarHBondContact O-N 3.03Å; G775-G777 PolarHBondContact O-N 3.43Å | ||
| 776 | S | 36.5 | Very low | 42.8 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -39.9 | 127.9 | 163.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | D774 | D774-S776 PolarHBondContact O-N 3.08Š| ||
| 777 | G | 34.5 | Very low | 41.7 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 116.5 | 65.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G775 | G775-G777 PolarHBondContact O-N 3.43Š| ||
| 778 | I | 31.9 | Very low | 40.3 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -142.2 | 108.7 | 134.4 | -55.2 | -177.5 | 0 | 0 | 0 | 107.4 | T780 | I778-T780 PolarHBondContact O-N 3.27Å; I778-T780 VanDerWaalsContact O-N 3.12Å | ||
| 779 | P | 30.7 | Very low | 38.7 | Very low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 102.9 | 175.8 | 29 | -29.4 | 0 | 0 | 0 | 108.7 | ||||
| 780 | T | 31.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 121 | 164.4 | 43.1 | 0 | 0 | 0 | 0 | 108.3 | I778 T782 | I778-T780 PolarHBondContact O-N 3.27Å; I778-T780 VanDerWaalsContact O-N 3.12Å; T780-T782 PolarHBondContact O-N 3.29Å | ||
| 781 | S | 29.1 | Very low | 35.5 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -45.3 | 128.7 | 178.9 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | G783 | S781-G783 PolarHBondContact O-N 2.66Š| ||
| 782 | T | 27.6 | Very low | 33.8 | Very low | 147 Ų | 147 | 113 Ų | 113 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -33.4 | 123.5 | 154.3 | 37.5 | 0 | 0 | 0 | 0 | 113.4 | T780 | T780-T782 PolarHBondContact O-N 3.29Š| ||
| 783 | G | 28.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 113.3 Ų | 113.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 169.9 | 87.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S781 | S781-G783 PolarHBondContact O-N 2.66Š| ||
| 784 | G | 30.6 | Very low | 31.5 | Very low | 81 Ų | 81 | 115.4 Ų | 115.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 158.4 | 81.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 785 | Q | 28 | Very low | 30.9 | Very low | 204 Ų | 204 | 116.2 Ų | 116.2 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -60.9 | 144.6 | 166 | -82.9 | 171.1 | -36.9 | 0 | 0 | 112 | ||||
| 786 | G | 28 | Very low | 30.4 | Very low | 84 Ų | 84 | 120 Ų | 120 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 102.9 | 114.8 | 134.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 787 | G | 30.1 | Very low | 30.4 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 150.9 | 64.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 788 | G | 25.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -72.9 | 145.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 789 | G | 27.9 | Very low | 30.7 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 178.2 | 103.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 790 | S | 30 | Very low | 30.9 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | 50.3 | 98.2 | 157.2 | 61.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 791 | V | 31 | Very low | 31.1 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | 63 | 106.7 | 80.4 | -176.9 | 0 | 0 | 0 | 0 | 113.2 | G793 | V791-G793 PolarHBondContact O-N 3.09Š| |||
| 792 | Y | 28.6 | Very low | 31.4 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -46.7 | 117.4 | 167.1 | -79.5 | -103 | 0 | 0 | 0 | 112.9 | ||||
| 793 | G | 32 | Very low | 31.9 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -86.4 | 103.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V791 Q795 | V791-G793 PolarHBondContact O-N 3.09Å; G793-Q795 PolarHBondContact O-N 3.15Å | ||
| 794 | S | 29.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | trans | -64 | 114.5 | 167.4 | 124.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 795 | Q | 32.9 | Very low | 32.1 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -115 | 101.2 | 162.9 | -131.6 | 167.3 | -6.4 | 0 | 0 | 107.7 | G793 D797 | G793-Q795 PolarHBondContact O-N 3.15Å; Q795-D797 PolarHBondContact O-N 3.31Å | ||
| 796 | N | 33.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | -69.4 | 103.2 | 166.6 | -75.6 | -35.7 | 0 | 0 | 0 | 107.8 | ||||
| 797 | D | 36.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | trans | -119.5 | 82.1 | 160.1 | -70.3 | -39.7 | 0 | 0 | 0 | 107.7 | Q795 E799 | Q795-D797 PolarHBondContact O-N 3.31Å; D797-E799 VanDerWaalsContact C-N 3.3Å; D797-E799 PolarHBondContact O-N 3.12Å | ||
| 798 | A | 35 | Very low | 32.8 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 85.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 799 | E | 36.5 | Very low | 33.3 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -95.1 | 87.5 | 163.3 | -77.6 | -167.8 | 160.6 | 0 | 0 | 108.9 | D797 L801 | D797-E799 VanDerWaalsContact C-N 3.3Å; D797-E799 PolarHBondContact O-N 3.12Å; E799-L801 PolarHBondContact O-N 2.8Å | ||
| 800 | D | 36.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -62.8 | 104 | 153.7 | -79.5 | -36.5 | 0 | 0 | 0 | 108 | ||||
| 801 | L | 35.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | trans | -122.6 | 98.6 | 163.6 | -126.7 | 90.5 | 0 | 0 | 0 | 109.7 | E799 N803 | E799-L801 PolarHBondContact O-N 2.8Å; L801-N803 PolarHBondContact O-N 3.47Å | ||
| 802 | Y | 35.6 | Very low | 34.2 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | trans | -55.9 | 113.6 | 152.4 | -82.2 | -93.3 | 0 | 0 | 0 | 109 | ||||
| 803 | N | 38.2 | Very low | 34.7 | Very low | 231 Ų | 231 | 148.2 Ų | 148.2 | 100% | 1.235 | 82% | 0.818 | S | S | * | * | trans | -168.7 | 0 | 140.3 | -92.9 | -30.4 | 0 | 0 | 0 | 111.1 | L801 | L801-N803 PolarHBondContact O-N 3.47Š|
Retrieved 803 of 803 residues in 161.4 ms
(Link to these results)