| 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 | 41.5 | Very low | 41.5 | Very low | 248 Ų | 248 | 152.7 Ų | 152.7 | 100% | 1.222 | 80% | 0.804 | S | S | * | * | 0 | 107.8 | 0 | -75.7 | 161.9 | 173.6 | 0 | 0 | 106.4 | |||||
| 2 | S | 43.4 | Very low | 41.5 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 147.8 | -178.9 | -48.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | N | 39.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 150 Ų | 150 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -175 | 106 | 150.5 | -97.8 | 14.6 | 0 | 0 | 0 | 104.8 | ||||
| 4 | G | 39.3 | Very low | 41.4 | Very low | 64 Ų | 64 | 153.1 Ų | 153.1 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 92 | 63.7 | 20 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | Y | 42.5 | Very low | 41.9 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | -154.1 | 76.2 | 157.4 | -87.5 | -76 | 0 | 0 | 0 | 109 | ||||
| 6 | E | 45.2 | Very low | 42.3 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -81 | 158.5 | 138.9 | -75.6 | 177.1 | 97.6 | 0 | 0 | 107 | ||||
| 7 | D | 37.3 | Very low | 42.6 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 114.2 | 133.7 | 159.7 | -127.2 | -44.5 | 0 | 0 | 0 | 118.8 | ||||
| 8 | H | 40.7 | Very low | 43.4 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | 80.4 | 64.1 | 164.5 | -53.2 | -62.3 | 0 | 0 | 0 | 120.4 | ||||
| 9 | M | 38.6 | Very low | 45 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 100% | 1.02 | 75% | 0.747 | S | S | * | * | trans | -103.9 | 62.8 | 137.7 | -80.4 | -94.2 | -172.6 | 0 | 0 | 108.3 | ||||
| 10 | A | 43.6 | Very low | 47.2 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 54% | 0.537 | 72% | 0.721 | S | S | . | * | trans | -108.8 | 126.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | E | 44.2 | Very low | 49.2 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 64% | 0.64 | 70% | 0.702 | S | S | * | * | trans | 82.6 | 83.4 | 151.5 | -60.1 | -176.7 | 116 | 0 | 0 | 118.9 | R14 | E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NH1 2.7Å; E11-R14 PolarHBondContact OE1-NH1 3.09Å; E11-R14 IonicContact OE1-NH2 3.94Å | ||
| 12 | D | 41.7 | Very low | 51.6 | Low | 148 Ų | 148 | 121.4 Ų | 121.4 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -137.7 | 13.5 | 138.8 | -137.2 | -95.6 | 0 | 0 | 0 | 114.1 | R14 | D12-R14 PolarHBondContact O-N 3.01Š|
| 13 | C | 39.1 | Very low | 53.9 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 82% | 0.824 | 61% | 0.613 | S | S | * | * | trans | -97.6 | 29.7 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 14 | R | 42.9 | Very low | 56.4 | Low | 194 Ų | 194 | 110 Ų | 110 | 73% | 0.732 | 57% | 0.574 | S | S | * | * | trans | -103.4 | 23.3 | -175.5 | -88.7 | -172.6 | -178.6 | 154.9 | 8.3 | 116.2 | E11 D12 | E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NH1 2.7Å; E11-R14 PolarHBondContact OE1-NH1 3.09Å; E11-R14 IonicContact OE1-NH2 3.94Å; D12-R14 PolarHBondContact O-N 3.01Å | ||
| 15 | D | 48 | Very low | 58.8 | Low | 114 Ų | 114 | 109 Ų | 109 | 61% | 0.61 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -129 | 9.1 | 176.6 | -114.3 | -70.7 | 0 | 0 | 0 | 114.6 | I17 R19 | D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.26Å; D15-R19 PolarHBondContact O-NE 3.06Å; D15-R19 PolarHBondContact O-NH2 2.81Å; D15-R19 IonicContact OD1-CZ 2.81Å; D15-R19 IonicContact OD1-NH2 3.16Å; D15-R19 PolarHBondContact OD1-NH2 2.83Å |
| 16 | D | 48.6 | Very low | 61 | Low | 151 Ų | 151 | 103.8 Ų | 103.8 | 81% | 0.807 | 53% | 0.533 | S | S | * | . | trans | -89.9 | 26.6 | 176.7 | -113.6 | -75.9 | 0 | 0 | 0 | 112.9 | G18 | D16-G18 PolarHBondContact O-N 3.4Š| ||
| 17 | I | 47.2 | Very low | 63.1 | Low | 148 Ų | 148 | 94.8 Ų | 94.8 | 76% | 0.759 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -76.7 | 92 | 174.7 | -56.7 | 169.9 | 0 | 0 | 0 | 107.6 | D15 R19 | D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.26Å; I17-R19 PolarHBondContact O-N 3Å |
| 18 | G | 57.5 | Low | 65.5 | Low | 44 Ų | 44 | 88.8 Ų | 88.8 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | trans | 43.4 | 52.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D16 T20 | D16-G18 PolarHBondContact O-N 3.4Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.21Å | ||
| 19 | R | 73.4 | Confident | 67.5 | Low | 101 Ų | 101 | 88.2 Ų | 88.2 | 38% | 0.381 | 46% | 0.456 | S | S | . | . | trans | -72 | 86.2 | 178.8 | -63.1 | -178.7 | -175.1 | 154.2 | -3.7 | 109.7 | D15 I17 A74 Y95 | D15-R19 PolarHBondContact O-NE 3.06Å; D15-R19 PolarHBondContact O-NH2 2.81Å; D15-R19 IonicContact OD1-CZ 2.81Å; D15-R19 IonicContact OD1-NH2 3.16Å; D15-R19 PolarHBondContact OD1-NH2 2.83Å; I17-R19 PolarHBondContact O-N 3Å; R19-A74 WeakPolarHBondContact O-CB 3.42Å; R19-Y95 HydrophobicContact CB-CD1 3.35Å; R19-Y95 HydrophobicContact CB-CE1 3.74Å; R19-Y95 HydrophobicContact CB-CG 3.99Å; R19-Y95 HydrophobicContact CG-CD1 4.4Å; R19-Y95 WeakPolarHBondContact O-CD1 3.31Å; R19-Y95 VanDerWaalsContact O-CE1 3.23Å; R19-Y95 WeakPolarHBondContact O-CE1 3.1Å | ||
| 20 | T | 88.6 | Confident | 69.8 | Low | 36 Ų | 36 | 83.3 Ų | 83.3 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | trans | -80.7 | -21.2 | 176 | 45 | 0 | 0 | 0 | 0 | 113.1 | G18 N67 Y68 A71 | G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.21Å; T20-N67 WeakPolarHBondContact CB-OD1 3.29Å; T20-N67 PolarHBondContact O-OD1 3.43Å; T20-N67 PolarHBondContact OG1-OD1 3.44Å; T20-Y68 WeakPolarHBondContact CB-O 3.43Å; T20-Y68 WeakPolarHBondContact CG2-O 3.03Å; T20-Y68 PolarHBondContact O-N 3.16Å; T20-A71 HydrophobicContact CG2-CB 4.19Å | ||
| 21 | N | 90.6 | Very high | 71.9 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.4 | -176.3 | -166.2 | -2.7 | 0 | 0 | 0 | 110.6 | V66 N67 A96 | N21-V66 CarbonylContact C-O 3.51Å; N21-N67 VanDerWaalsContact CA-OD1 3.23Å; N21-N67 WeakPolarHBondContact CA-OD1 3.41Å; N21-N67 WeakPolarHBondContact CB-OD1 3.28Å; N21-N67 PolarHBondContact N-OD1 2.93Å; N21-N67 VanDerWaalsContact N-OD1 3.07Å; N21-A96 HydrophobicContact CB-CB 3.93Å; N21-A96 VanDerWaalsContact CG-CB 3.44Å; N21-A96 WeakPolarHBondContact O-CB 3.33Å; N21-A96 PolarHBondContact O-N 2.77Å; N21-A96 WeakPolarHBondContact OD1-CB 3.24Å |
| 22 | L | 91.8 | Very high | 74.1 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.3 | -179.6 | -56.7 | -172.2 | 0 | 0 | 0 | 110.2 | F40 F65 V66 Y68 A74 A77 I78 V93 S94 Y95 | L22-F40 HydrophobicContact CD1-CE1 4.24Å; L22-F65 CarbonylContact O-C 3.5Å; L22-F65 VanDerWaalsContact O-CA 3.23Å; L22-F65 WeakPolarHBondContact O-CA 3.49Å; L22-V66 WeakPolarHBondContact CB-O 3.38Å; L22-V66 PolarHBondContact N-O 2.93Å; L22-V66 PolarHBondContact O-N 3.42Å; L22-Y68 HydrophobicContact CD1-CD2 4.02Å; L22-Y68 HydrophobicContact CD1-CE2 3.67Å; L22-Y68 HydrophobicContact CG-CD2 4.39Å; L22-Y68 HydrophobicContact CG-CE2 4.48Å; L22-A74 HydrophobicContact CD1-CB 4.3Å; L22-A74 HydrophobicContact CD2-CB 3.98Å; L22-A74 HydrophobicContact CG-CB 4.14Å; L22-A77 HydrophobicContact CD1-CB 3.85Å; L22-I78 HydrophobicContact CD1-CG1 4.12Å; L22-I78 HydrophobicContact CD2-CD1 3.58Å; L22-I78 HydrophobicContact CD2-CG1 3.74Å; L22-V93 HydrophobicContact CB-CG1 4.35Å; L22-V93 HydrophobicContact CD1-CG1 3.85Å; L22-S94 CarbonylContact C-O 3.55Å; L22-S94 WeakPolarHBondContact CA-O 3.44Å; L22-Y95 HydrophobicContact CD2-CD1 3.62Å; L22-Y95 HydrophobicContact CD2-CE1 4Å; L22-Y95 HydrophobicContact CD2-CG 4.42Å |
| 23 | I | 91.2 | Very high | 76.4 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.6 | 166.6 | -172.1 | 173.8 | 0 | 0 | 0 | 109 | Y63 F65 S94 A96 | I23-Y63 HydrophobicContact CD1-CD2 4.37Å; I23-F65 HydrophobicContact CB-CD1 4.02Å; I23-F65 HydrophobicContact CB-CE1 3.89Å; I23-F65 HydrophobicContact CD1-CE1 3.76Å; I23-F65 HydrophobicContact CD1-CZ 3.91Å; I23-F65 HydrophobicContact CG1-CD1 4.16Å; I23-F65 HydrophobicContact CG1-CE1 3.79Å; I23-F65 HydrophobicContact CG1-CZ 4.23Å; I23-S94 WeakPolarHBondContact CG2-O 3.5Å; I23-S94 VanDerWaalsContact CG2-OG 3.32Å; I23-S94 WeakPolarHBondContact CG2-OG 3.44Å; I23-S94 PolarHBondContact N-O 3.32Å; I23-S94 PolarHBondContact O-N 3.4Å; I23-S94 VanDerWaalsContact O-N 3.09Å; I23-A96 HydrophobicContact CB-CB 4.2Å |
| 24 | V | 92.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.1 | 179.1 | -167.5 | 0 | 0 | 0 | 0 | 107.9 | L27 L36 F40 Y63 G64 V66 I91 K92 V93 | V24-L27 HydrophobicContact CB-CD1 4.31Å; V24-L27 HydrophobicContact CB-CD2 4.36Å; V24-L27 HydrophobicContact CB-CG 4.42Å; V24-L27 HydrophobicContact CG1-CD1 4.28Å; V24-L27 HydrophobicContact CG1-CD2 3.46Å; V24-L27 VanDerWaalsContact CG1-CD2 3.46Å; V24-L27 HydrophobicContact CG1-CG 3.95Å; V24-L36 HydrophobicContact CB-CD1 4.46Å; V24-L36 HydrophobicContact CG1-CD1 4.43Å; V24-L36 HydrophobicContact CG2-CD1 4.36Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE2 4.22Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-F40 HydrophobicContact CG2-CE1 3.84Å; V24-F40 HydrophobicContact CG2-CE2 3.79Å; V24-F40 HydrophobicContact CG2-CZ 3.25Å; V24-Y63 CarbonylContact O-C 3.57Å; V24-Y63 WeakPolarHBondContact O-CA 3.18Å; V24-Y63 VanDerWaalsContact O-CB 3.3Å; V24-Y63 WeakPolarHBondContact O-CB 3.41Å; V24-G64 PolarHBondContact N-O 3.45Å; V24-G64 PolarHBondContact O-N 3.36Å; V24-V66 HydrophobicContact CG2-CG2 4.04Å; V24-I91 HydrophobicContact CG1-CB 4.32Å; V24-I91 HydrophobicContact CG1-CD1 4.39Å; V24-K92 CarbonylContact C-O 3.52Å; V24-K92 WeakPolarHBondContact CA-O 3.22Å; V24-V93 HydrophobicContact CG1-CG2 4.23Å |
| 25 | N | 90.4 | Very high | 81.2 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 160.1 | 179.7 | -66.1 | -74.3 | 0 | 0 | 0 | 111.2 | L27 I91 K92 | N25-L27 VanDerWaalsContact C-N 3.31Å; N25-L27 PolarHBondContact O-N 3.12Å; N25-I91 WeakPolarHBondContact O-CA 3.4Å; N25-K92 HydrophobicContact CB-CB 4.34Å; N25-K92 PolarHBondContact N-O 3.48Å; N25-K92 PolarHBondContact O-N 3.17Å |
| 26 | Y | 88.8 | Confident | 83.3 | Confident | 112 Ų | 112 | 63 Ų | 63 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 64.2 | 32.5 | 178.4 | -46.8 | -73.1 | 0 | 0 | 0 | 114 | G62 K89 T90 K92 | Y26-G62 PolarHBondContact N-O 3.22Å; Y26-K89 VanDerWaalsContact O-CB 3.29Å; Y26-K89 WeakPolarHBondContact O-CB 3.26Å; Y26-K89 WeakPolarHBondContact O-CD 3.16Å; Y26-T90 WeakPolarHBondContact CB-O 3.34Å; Y26-K92 HydrophobicContact CD2-CB 3.69Å; Y26-K92 HydrophobicContact CE2-CB 3.86Å; Y26-K92 HydrophobicContact CE2-CD 4.24Å |
| 27 | L | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -65.1 | 145.5 | 171.8 | -64.5 | 178.7 | 0 | 0 | 0 | 111.1 | V24 N25 M31 L36 L51 G62 K89 I91 | V24-L27 HydrophobicContact CB-CD1 4.31Å; V24-L27 HydrophobicContact CB-CD2 4.36Å; V24-L27 HydrophobicContact CB-CG 4.42Å; V24-L27 HydrophobicContact CG1-CD1 4.28Å; V24-L27 HydrophobicContact CG1-CD2 3.46Å; V24-L27 VanDerWaalsContact CG1-CD2 3.46Å; V24-L27 HydrophobicContact CG1-CG 3.95Å; N25-L27 VanDerWaalsContact C-N 3.31Å; N25-L27 PolarHBondContact O-N 3.12Å; L27-M31 HydrophobicContact CB-SD 4.43Å; L27-M31 HydrophobicContact CD2-SD 3.71Å; L27-M31 HydrophobicContact CG-SD 4.47Å; L27-L36 HydrophobicContact CD1-CD1 3.89Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 4.15Å; L27-L51 HydrophobicContact CD1-CD1 3.55Å; L27-G62 PolarHBondContact N-O 2.9Å; L27-K89 PolarHBondContact O-NZ 3.3Å; L27-I91 HydrophobicContact CD2-CB 4.46Å; L27-I91 HydrophobicContact CD2-CG2 3.85Å | ||
| 28 | P | 86.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -64.2 | 147.1 | 172.7 | 11 | -7.1 | 0 | 0 | 0 | 110.9 | N30 M31 L86 Q87 | P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.49Å; P28-N30 PolarHBondContact O-N 3.45Å; P28-M31 HydrophobicContact CB-CB 4.47Å; P28-M31 HydrophobicContact CG-CB 3.97Å; P28-M31 HydrophobicContact CG-SD 4.29Å; P28-M31 VanDerWaalsContact O-CB 3.31Å; P28-M31 WeakPolarHBondContact O-CB 3.5Å; P28-M31 PolarHBondContact O-N 2.98Å; P28-M31 VanDerWaalsContact O-N 3.17Å; P28-L86 HydrophobicContact CG-CB 4.04Å; P28-Q87 VanDerWaalsContact CB-OE1 3.28Å | ||
| 29 | Q | 84.2 | Confident | 89.3 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.7 | -174.2 | -76 | -168.3 | 4.8 | 0 | 0 | 113.3 | M31 | Q29-M31 VanDerWaalsContact C-N 3.3Š|
| 30 | N | 85.5 | Confident | 90.2 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.2 | 175.2 | 62.3 | -6.3 | 0 | 0 | 0 | 113 | P28 T32 Q87 | P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.49Å; P28-N30 PolarHBondContact O-N 3.45Å; N30-T32 PolarHBondContact O-N 3.44Å; N30-Q87 VanDerWaalsContact CG-NE2 3.35Å; N30-Q87 PolarHBondContact ND2-NE2 3.36Å; N30-Q87 PolarHBondContact OD1-NE2 3.5Å; N30-Q87 PolarHBondContact OD1-OE1 2.85Å; N30-Q87 VanDerWaalsContact OD1-OE1 3.11Å |
| 31 | M | 87.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | trans | -66.3 | 134.9 | -180 | -160.8 | 175.4 | -171.8 | 0 | 0 | 110.8 | L27 P28 Q29 E35 L36 L39 L51 L86 | L27-M31 HydrophobicContact CB-SD 4.43Å; L27-M31 HydrophobicContact CD2-SD 3.71Å; L27-M31 HydrophobicContact CG-SD 4.47Å; P28-M31 HydrophobicContact CB-CB 4.47Å; P28-M31 HydrophobicContact CG-CB 3.97Å; P28-M31 HydrophobicContact CG-SD 4.29Å; P28-M31 VanDerWaalsContact O-CB 3.31Å; P28-M31 WeakPolarHBondContact O-CB 3.5Å; P28-M31 PolarHBondContact O-N 2.98Å; P28-M31 VanDerWaalsContact O-N 3.17Å; Q29-M31 VanDerWaalsContact C-N 3.3Å; M31-E35 WeakPolarHBondContact CA-OE2 3.37Å; M31-E35 HydrophobicContact CE-CB 4.13Å; M31-E35 HydrophobicContact CG-CB 4.1Å; M31-L36 HydrophobicContact CE-CB 4.25Å; M31-L36 HydrophobicContact CE-CD1 4.41Å; M31-L39 HydrophobicContact CE-CD2 4.06Å; M31-L51 WeakPolarHBondContact O-CD2 3.47Å; M31-L86 HydrophobicContact CE-CD1 3.93Å; M31-L86 HydrophobicContact SD-CD1 4Å | ||
| 32 | T | 90.4 | Very high | 90.5 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | trans | -93.6 | 163.6 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | N30 D34 E35 L36 | N30-T32 PolarHBondContact O-N 3.44Å; T32-D34 VanDerWaalsContact C-N 3.31Å; T32-E35 PolarHBondContact N-OE2 3.23Å; T32-E35 WeakPolarHBondContact OG1-CB 3.47Å; T32-E35 WeakPolarHBondContact OG1-CG 3.38Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.96Å; T32-E35 VanDerWaalsContact OG1-OE2 3.11Å; T32-L36 PolarHBondContact O-N 3.37Å; T32-L36 VanDerWaalsContact O-N 3.08Å | ||
| 33 | Q | 90 | Very high | 90.6 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 176.1 | -176.4 | 173.2 | -69.9 | 0 | 0 | 111.2 | L36 R37 A49 L51 | Q33-L36 WeakPolarHBondContact O-CB 3.26Å; Q33-L36 PolarHBondContact O-N 3.34Å; Q33-R37 WeakPolarHBondContact O-CB 3.35Å; Q33-R37 PolarHBondContact O-N 2.87Å; Q33-A49 WeakPolarHBondContact CG-O 3.48Å; Q33-A49 PolarHBondContact NE2-O 2.84Å; Q33-L51 HydrophobicContact CB-CB 4Å; Q33-L51 HydrophobicContact CG-CB 4.35Å |
| 34 | D | 91 | Very high | 90.6 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 178 | -59 | -73.9 | 0 | 0 | 0 | 111.9 | T32 R37 S38 | T32-D34 VanDerWaalsContact C-N 3.31Å; D34-R37 PolarHBondContact O-N 3.36Å; D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.31Å; D34-S38 PolarHBondContact O-N 3Å; D34-S38 PolarHBondContact O-OG 3.46Å |
| 35 | E | 91.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 171.4 | -75 | 170.2 | 149.5 | 0 | 0 | 111.7 | M31 T32 R37 S38 L39 | M31-E35 WeakPolarHBondContact CA-OE2 3.37Å; M31-E35 HydrophobicContact CE-CB 4.13Å; M31-E35 HydrophobicContact CG-CB 4.1Å; T32-E35 PolarHBondContact N-OE2 3.23Å; T32-E35 WeakPolarHBondContact OG1-CB 3.47Å; T32-E35 WeakPolarHBondContact OG1-CG 3.38Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.96Å; T32-E35 VanDerWaalsContact OG1-OE2 3.11Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.45Å; E35-S38 PolarHBondContact O-N 2.81Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 2.87Å |
| 36 | L | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 176.4 | 179.1 | 67.5 | 0 | 0 | 0 | 110.6 | V24 L27 M31 T32 Q33 L39 F40 L51 V66 | V24-L36 HydrophobicContact CB-CD1 4.46Å; V24-L36 HydrophobicContact CG1-CD1 4.43Å; V24-L36 HydrophobicContact CG2-CD1 4.36Å; L27-L36 HydrophobicContact CD1-CD1 3.89Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 4.15Å; M31-L36 HydrophobicContact CE-CB 4.25Å; M31-L36 HydrophobicContact CE-CD1 4.41Å; T32-L36 PolarHBondContact O-N 3.37Å; T32-L36 VanDerWaalsContact O-N 3.08Å; Q33-L36 WeakPolarHBondContact O-CB 3.26Å; Q33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 2.9Å; L36-F40 HydrophobicContact CD1-CD2 3.8Å; L36-F40 HydrophobicContact CD1-CE2 3.57Å; L36-F40 HydrophobicContact CG-CD2 4.45Å; L36-F40 VanDerWaalsContact O-CD2 3.27Å; L36-F40 WeakPolarHBondContact O-CD2 3.36Å; L36-F40 PolarHBondContact O-N 3.45Å; L36-F40 VanDerWaalsContact O-N 3.16Å; L36-L51 HydrophobicContact CD2-CD1 4.38Å; L36-V66 HydrophobicContact CD1-CG2 4.35Å; L36-V66 HydrophobicContact CD2-CG2 4.19Å; L36-V66 HydrophobicContact CG-CG2 4.11Å |
| 37 | R | 93.4 | Very high | 90.9 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 177.6 | -173 | 177.9 | 175.1 | -132.1 | -1.4 | 111.3 | Q33 D34 E35 L39 F40 S41 V46 A49 | Q33-R37 WeakPolarHBondContact O-CB 3.35Å; Q33-R37 PolarHBondContact O-N 2.87Å; D34-R37 PolarHBondContact O-N 3.36Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.45Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 2.82Å; R37-F40 PolarHBondContact O-N 2.99Å; R37-S41 WeakPolarHBondContact O-CB 3.22Å; R37-S41 PolarHBondContact O-N 2.91Å; R37-V46 HydrophobicContact CG-CG1 4.45Å; R37-A49 HydrophobicContact CB-CB 3.78Å; R37-A49 HydrophobicContact CG-CB 4.08Å |
| 38 | S | 92.8 | Very high | 90.8 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | -179 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | D34 E35 F40 S41 S42 | D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.31Å; D34-S38 PolarHBondContact O-N 3Å; D34-S38 PolarHBondContact O-OG 3.46Å; E35-S38 PolarHBondContact O-N 2.81Å; S38-F40 PolarHBondContact O-N 2.96Å; S38-S41 PolarHBondContact O-N 3.27Å; S38-S42 PolarHBondContact O-N 3.37Å |
| 39 | L | 91.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 66.7 Ų | 66.7 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.3 | -179.7 | 64.8 | 0 | 0 | 0 | 111.5 | M31 E35 L36 R37 S42 L81 L84 L86 I91 | M31-L39 HydrophobicContact CE-CD2 4.06Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 2.9Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 2.82Å; L39-S42 WeakPolarHBondContact O-CB 3.04Å; L39-S42 PolarHBondContact O-N 3.29Å; L39-S42 PolarHBondContact O-OG 3.17Å; L39-L81 HydrophobicContact CD1-CD2 4.27Å; L39-L81 HydrophobicContact CG-CD1 4.5Å; L39-L81 HydrophobicContact CG-CD2 4.46Å; L39-L84 HydrophobicContact CD1-CD2 3.99Å; L39-L84 HydrophobicContact CD2-CD2 4.25Å; L39-L86 HydrophobicContact CD2-CD1 4.03Å; L39-I91 HydrophobicContact CD2-CD1 4.22Å |
| 40 | F | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -77.9 | -26.6 | -178.2 | -80.3 | -102.7 | 0 | 0 | 0 | 112.9 | L22 V24 L36 R37 S38 S42 I43 V46 V66 Y68 A77 L81 V93 | L22-F40 HydrophobicContact CD1-CE1 4.24Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE2 4.22Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-F40 HydrophobicContact CG2-CE1 3.84Å; V24-F40 HydrophobicContact CG2-CE2 3.79Å; V24-F40 HydrophobicContact CG2-CZ 3.25Å; L36-F40 HydrophobicContact CD1-CD2 3.8Å; L36-F40 HydrophobicContact CD1-CE2 3.57Å; L36-F40 HydrophobicContact CG-CD2 4.45Å; L36-F40 VanDerWaalsContact O-CD2 3.27Å; L36-F40 WeakPolarHBondContact O-CD2 3.36Å; L36-F40 PolarHBondContact O-N 3.45Å; L36-F40 VanDerWaalsContact O-N 3.16Å; R37-F40 PolarHBondContact O-N 2.99Å; S38-F40 PolarHBondContact O-N 2.96Å; F40-S42 PolarHBondContact O-N 3.28Å; F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.16Å; F40-V46 HydrophobicContact CB-CG2 3.87Å; F40-V66 HydrophobicContact CB-CG1 3.82Å; F40-V66 HydrophobicContact CB-CG2 4.42Å; F40-V66 HydrophobicContact CD1-CB 4.09Å; F40-V66 HydrophobicContact CD1-CG1 3.83Å; F40-V66 HydrophobicContact CD1-CG2 4.02Å; F40-V66 HydrophobicContact CD2-CG2 4.09Å; F40-V66 HydrophobicContact CE1-CG2 4.35Å; F40-V66 HydrophobicContact CE2-CG2 4.41Å; F40-V66 HydrophobicContact CG-CB 4.34Å; F40-V66 HydrophobicContact CG-CG1 3.93Å; F40-V66 HydrophobicContact CG-CG2 3.9Å; F40-Y68 WeakPolarHBondContact CA-OH 3.3Å; F40-Y68 VanDerWaalsContact CB-OH 3.32Å; F40-Y68 WeakPolarHBondContact CB-OH 3.2Å; F40-Y68 AromaticContact CD1-CE2 3.97Å; F40-Y68 HydrophobicContact CD1-CE2 3.97Å; F40-Y68 VanDerWaalsContact CD1-OH 3.3Å; F40-Y68 WeakPolarHBondContact CD1-OH 3.46Å; F40-Y68 PolarHBondContact O-OH 3.37Å; F40-A77 HydrophobicContact CD1-CB 4.26Å; F40-A77 HydrophobicContact CE1-CB 4.42Å; F40-L81 HydrophobicContact CD1-CD1 3.75Å; F40-L81 HydrophobicContact CD2-CD1 4.1Å; F40-L81 HydrophobicContact CE1-CD1 3.72Å; F40-L81 HydrophobicContact CE2-CD1 4.08Å; F40-L81 HydrophobicContact CG-CD1 3.93Å; F40-L81 HydrophobicContact CZ-CD1 3.87Å; F40-V93 HydrophobicContact CE1-CG1 3.88Å; F40-V93 HydrophobicContact CE1-CG2 4.29Å; F40-V93 HydrophobicContact CZ-CG1 4.17Å; F40-V93 HydrophobicContact CZ-CG2 3.82Å |
| 41 | S | 93.1 | Very high | 91.7 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -17 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | R37 S38 I43 G44 | R37-S41 WeakPolarHBondContact O-CB 3.22Å; R37-S41 PolarHBondContact O-N 2.91Å; S38-S41 PolarHBondContact O-N 3.27Å; S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.48Å; S41-G44 WeakPolarHBondContact CA-O 3.39Å |
| 42 | S | 92.6 | Very high | 91.8 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.4 | 174.4 | 71 | 0 | 0 | 0 | 0 | 113.4 | S38 L39 F40 | S38-S42 PolarHBondContact O-N 3.37Å; L39-S42 WeakPolarHBondContact O-CB 3.04Å; L39-S42 PolarHBondContact O-N 3.29Å; L39-S42 PolarHBondContact O-OG 3.17Å; F40-S42 PolarHBondContact O-N 3.28Å |
| 43 | I | 93.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -38.2 | -178.7 | -55 | -60.7 | 0 | 0 | 0 | 111.8 | F40 S41 R76 A77 T80 L81 | F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.16Å; S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.48Å; I43-R76 HydrophobicContact CG2-CB 3.69Å; I43-R76 PolarHBondContact O-NH2 2.98Å; I43-A77 HydrophobicContact CB-CB 4.27Å; I43-A77 HydrophobicContact CG1-CB 4.26Å; I43-A77 HydrophobicContact CG2-CB 4Å; I43-T80 HydrophobicContact CD1-CG2 3.85Å; I43-L81 HydrophobicContact CD1-CD2 4.4Å; I43-L81 HydrophobicContact CD1-CG 4.29Å; I43-L81 HydrophobicContact CG1-CD1 3.8Å; I43-L81 HydrophobicContact CG1-CD2 4.49Å; I43-L81 HydrophobicContact CG1-CG 4.06Å |
| 44 | G | 90.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -176.2 | -177.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S41 V46 | S41-G44 WeakPolarHBondContact CA-O 3.39Å; G44-V46 PolarHBondContact O-N 2.98Å |
| 45 | E | 92.7 | Very high | 90.5 | Very high | 137 Ų | 137 | 69.5 Ų | 69.5 | 64% | 0.64 | 35% | 0.352 | S | S | * | . | trans | -76.7 | 114 | -175.2 | -166.6 | 175 | 169.8 | 0 | 0 | 111.1 | Y68 V69 | E45-Y68 WeakPolarHBondContact O-CD1 3.09Å; E45-V69 HydrophobicContact CB-CB 4.46Å; E45-V69 HydrophobicContact CB-CG2 4.15Å; E45-V69 HydrophobicContact CG-CG2 3.89Å; E45-V69 PolarHBondContact O-N 2.79Å | ||
| 46 | V | 93.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.1 | -180 | 177 | 0 | 0 | 0 | 0 | 109.4 | R37 F40 G44 S48 A49 V66 Y68 | R37-V46 HydrophobicContact CG-CG1 4.45Å; F40-V46 HydrophobicContact CB-CG2 3.87Å; G44-V46 PolarHBondContact O-N 2.98Å; V46-S48 WeakPolarHBondContact CG1-O 3.18Å; V46-A49 HydrophobicContact CG1-CB 4.11Å; V46-V66 HydrophobicContact CG1-CG1 3.75Å; V46-V66 HydrophobicContact CG2-CG1 4.06Å; V46-Y68 HydrophobicContact CG2-CD1 4.09Å; V46-Y68 HydrophobicContact CG2-CE1 3.62Å |
| 47 | E | 91.3 | Very high | 88.9 | Confident | 126 Ų | 126 | 73.1 Ų | 73.1 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -45.3 | 174.1 | -171.8 | -170.9 | -142.9 | 0 | 0 | 110.9 | N67 V69 | E47-N67 PolarHBondContact N-O 2.96Å; E47-N67 PolarHBondContact OE2-ND2 2.85Å; E47-V69 HydrophobicContact CB-CG2 3.89Å |
| 48 | S | 89.1 | Confident | 88 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 43% | 0.427 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 144.7 | 175.8 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | V46 V66 N67 | V46-S48 WeakPolarHBondContact CG1-O 3.18Å; S48-V66 CarbonylContact O-C 3.46Å; S48-V66 WeakPolarHBondContact O-CA 3.46Å; S48-N67 PolarHBondContact N-O 3.16Å; S48-N67 VanDerWaalsContact N-O 3.11Å; S48-N67 PolarHBondContact O-N 2.78Å; S48-N67 WeakPolarHBondContact OG-CB 3.19Å |
| 49 | A | 92.3 | Very high | 87.3 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q33 R37 V46 F65 V66 | Q33-A49 WeakPolarHBondContact CG-O 3.48Å; Q33-A49 PolarHBondContact NE2-O 2.84Å; R37-A49 HydrophobicContact CB-CB 3.78Å; R37-A49 HydrophobicContact CG-CB 4.08Å; V46-A49 HydrophobicContact CG1-CB 4.11Å; A49-F65 CarbonylContact C-O 3.52Å; A49-F65 WeakPolarHBondContact CA-O 3.36Å; A49-V66 HydrophobicContact CB-CG2 4.32Å |
| 50 | K | 90.9 | Very high | 86.9 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 113.1 | -176.9 | -170.9 | 175.4 | -175.6 | 169.4 | 0 | 110 | I52 G64 F65 | K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CG-CD1 4.07Å; K50-G64 CarbonylContact O-C 3.54Å; K50-G64 WeakPolarHBondContact O-CA 3.42Å; K50-F65 PolarHBondContact N-O 3.47Å; K50-F65 PolarHBondContact O-N 2.79Å |
| 51 | L | 91.1 | Very high | 86.4 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.6 | 172.1 | -175.5 | 70 | 0 | 0 | 0 | 109.1 | L27 M31 Q33 L36 R53 | L27-L51 HydrophobicContact CD1-CD1 3.55Å; M31-L51 WeakPolarHBondContact O-CD2 3.47Å; Q33-L51 HydrophobicContact CB-CB 4Å; Q33-L51 HydrophobicContact CG-CB 4.35Å; L36-L51 HydrophobicContact CD2-CD1 4.38Å; L51-R53 PolarHBondContact O-N 3.11Å |
| 52 | I | 88.5 | Confident | 86.1 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.7 | -179.9 | -52.5 | -57.1 | 0 | 0 | 0 | 109.7 | K50 L61 Y63 F65 | K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CG-CD1 4.07Å; I52-L61 HydrophobicContact CG2-CD1 3.61Å; I52-L61 HydrophobicContact CG2-CG 4.24Å; I52-L61 PolarHBondContact O-N 3.07Å; I52-Y63 HydrophobicContact CB-CD2 4.24Å; I52-Y63 HydrophobicContact CB-CE1 4.39Å; I52-Y63 HydrophobicContact CB-CE2 3.82Å; I52-Y63 HydrophobicContact CG1-CD2 3.96Å; I52-Y63 HydrophobicContact CG1-CE2 3.54Å; I52-Y63 HydrophobicContact CG2-CE1 4.43Å; I52-Y63 HydrophobicContact CG2-CE2 4.18Å; I52-Y63 PolarHBondContact N-O 3.49Å; I52-F65 HydrophobicContact CD1-CD2 3.9Å; I52-F65 HydrophobicContact CD1-CE2 4.02Å; I52-F65 HydrophobicContact CG1-CD2 3.85Å; I52-F65 HydrophobicContact CG1-CE2 3.75Å |
| 53 | R | 86.4 | Confident | 86 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.2 | 177.6 | -61.9 | -177.6 | 170.8 | -173.6 | -2.4 | 110.1 | L51 K55 H59 | L51-R53 PolarHBondContact O-N 3.11Å; R53-K55 PolarHBondContact O-N 3.43Å; R53-H59 CarbonylContact C-O 3.41Å; R53-H59 VanDerWaalsContact CA-O 3.3Å; R53-H59 WeakPolarHBondContact CA-O 3.44Å |
| 54 | D | 82.3 | Confident | 85.9 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | trans | -61 | 125.6 | 172.5 | -172.3 | -82.1 | 0 | 0 | 0 | 109.5 | V56 A57 G58 H59 L61 | D54-V56 PolarHBondContact O-N 2.73Å; D54-V56 WeakPolarHBondContact OD1-CA 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.21Å; D54-A57 HydrophobicContact CB-CB 4.42Å; D54-A57 PolarHBondContact OD1-N 2.84Å; D54-G58 VanDerWaalsContact O-CA 3.25Å; D54-G58 WeakPolarHBondContact O-CA 3.39Å; D54-G58 PolarHBondContact O-N 3.46Å; D54-H59 PolarHBondContact N-O 3.14Å; D54-L61 HydrophobicContact CB-CD2 3.96Å | ||
| 55 | K | 76 | Confident | 86 | Confident | 211 Ų | 211 | 68 Ų | 68 | 92% | 0.917 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.1 | -175.9 | -72.1 | -172.5 | 178.6 | -173.5 | 0 | 113.4 | R53 | R53-K55 PolarHBondContact O-N 3.43Š|
| 56 | V | 77.1 | Confident | 86.1 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 76% | 0.758 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -45.9 | -173.9 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | D54 | D54-V56 PolarHBondContact O-N 2.73Å; D54-V56 WeakPolarHBondContact OD1-CA 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.21Å |
| 57 | A | 74.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -9.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | D54 H59 | D54-A57 HydrophobicContact CB-CB 4.42Å; D54-A57 PolarHBondContact OD1-N 2.84Å; A57-H59 VanDerWaalsContact CB-CD2 3.45Å; A57-H59 WeakPolarHBondContact CB-CD2 3.42Å; A57-H59 PolarHBondContact O-N 2.93Å |
| 58 | G | 74.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 44% | 0.443 | 30% | 0.296 | S | S | . | . | trans | 68.4 | -2.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | D54 | D54-G58 VanDerWaalsContact O-CA 3.25Å; D54-G58 WeakPolarHBondContact O-CA 3.39Å; D54-G58 PolarHBondContact O-N 3.46Å | ||
| 59 | H | 77.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 57 Ų | 57 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | trans | -71.9 | 142.2 | -179.7 | -61.9 | -55.7 | 0 | 0 | 0 | 111.6 | R53 D54 A57 L61 | R53-H59 CarbonylContact C-O 3.41Å; R53-H59 VanDerWaalsContact CA-O 3.3Å; R53-H59 WeakPolarHBondContact CA-O 3.44Å; D54-H59 PolarHBondContact N-O 3.14Å; A57-H59 VanDerWaalsContact CB-CD2 3.45Å; A57-H59 WeakPolarHBondContact CB-CD2 3.42Å; A57-H59 PolarHBondContact O-N 2.93Å; H59-L61 PolarHBondContact O-N 2.97Å | ||
| 60 | S | 83.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 130.9 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 111 | G62 | S60-G62 PolarHBondContact O-N 3.25Å; S60-G62 PolarHBondContact OG-N 2.85Å |
| 61 | L | 83.7 | Confident | 86 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 0.4 | 172.2 | -61.8 | -173.6 | 0 | 0 | 0 | 112 | I52 D54 H59 Y63 | I52-L61 HydrophobicContact CG2-CD1 3.61Å; I52-L61 HydrophobicContact CG2-CG 4.24Å; I52-L61 PolarHBondContact O-N 3.07Å; D54-L61 HydrophobicContact CB-CD2 3.96Å; H59-L61 PolarHBondContact O-N 2.97Å; L61-Y63 VanDerWaalsContact C-N 3.29Å; L61-Y63 HydrophobicContact CB-CD1 3.7Å; L61-Y63 HydrophobicContact CB-CE1 3.42Å; L61-Y63 VanDerWaalsContact CB-CE1 3.42Å; L61-Y63 HydrophobicContact CD1-CE1 3.76Å; L61-Y63 HydrophobicContact CG-CE1 4.24Å; L61-Y63 PolarHBondContact O-N 3.37Å |
| 62 | G | 86.4 | Confident | 86 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.3 | 20.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y26 L27 S60 | Y26-G62 PolarHBondContact N-O 3.22Å; L27-G62 PolarHBondContact N-O 2.9Å; S60-G62 PolarHBondContact O-N 3.25Å; S60-G62 PolarHBondContact OG-N 2.85Å |
| 63 | Y | 90.6 | Very high | 86.2 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 26% | 0.263 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.3 | 169.2 | 70.7 | -84.5 | 0 | 0 | 0 | 111.3 | I23 V24 I52 L61 F65 | I23-Y63 HydrophobicContact CD1-CD2 4.37Å; V24-Y63 CarbonylContact O-C 3.57Å; V24-Y63 WeakPolarHBondContact O-CA 3.18Å; V24-Y63 VanDerWaalsContact O-CB 3.3Å; V24-Y63 WeakPolarHBondContact O-CB 3.41Å; I52-Y63 HydrophobicContact CB-CD2 4.24Å; I52-Y63 HydrophobicContact CB-CE1 4.39Å; I52-Y63 HydrophobicContact CB-CE2 3.82Å; I52-Y63 HydrophobicContact CG1-CD2 3.96Å; I52-Y63 HydrophobicContact CG1-CE2 3.54Å; I52-Y63 HydrophobicContact CG2-CE1 4.43Å; I52-Y63 HydrophobicContact CG2-CE2 4.18Å; I52-Y63 PolarHBondContact N-O 3.49Å; L61-Y63 VanDerWaalsContact C-N 3.29Å; L61-Y63 HydrophobicContact CB-CD1 3.7Å; L61-Y63 HydrophobicContact CB-CE1 3.42Å; L61-Y63 VanDerWaalsContact CB-CE1 3.42Å; L61-Y63 HydrophobicContact CD1-CE1 3.76Å; L61-Y63 HydrophobicContact CG-CE1 4.24Å; L61-Y63 PolarHBondContact O-N 3.37Å; Y63-F65 HydrophobicContact CD2-CE2 4.11Å; Y63-F65 HydrophobicContact CD2-CZ 4.44Å; Y63-F65 AromaticContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CZ 4.21Å |
| 64 | G | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 169.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V24 K50 | V24-G64 PolarHBondContact N-O 3.45Å; V24-G64 PolarHBondContact O-N 3.36Å; K50-G64 CarbonylContact O-C 3.54Å; K50-G64 WeakPolarHBondContact O-CA 3.42Å |
| 65 | F | 92.8 | Very high | 86.9 | Confident | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.3 | 174.3 | -63.4 | -87 | 0 | 0 | 0 | 109.5 | L22 I23 A49 K50 I52 Y63 A96 | L22-F65 CarbonylContact O-C 3.5Å; L22-F65 VanDerWaalsContact O-CA 3.23Å; L22-F65 WeakPolarHBondContact O-CA 3.49Å; I23-F65 HydrophobicContact CB-CD1 4.02Å; I23-F65 HydrophobicContact CB-CE1 3.89Å; I23-F65 HydrophobicContact CD1-CE1 3.76Å; I23-F65 HydrophobicContact CD1-CZ 3.91Å; I23-F65 HydrophobicContact CG1-CD1 4.16Å; I23-F65 HydrophobicContact CG1-CE1 3.79Å; I23-F65 HydrophobicContact CG1-CZ 4.23Å; A49-F65 CarbonylContact C-O 3.52Å; A49-F65 WeakPolarHBondContact CA-O 3.36Å; K50-F65 PolarHBondContact N-O 3.47Å; K50-F65 PolarHBondContact O-N 2.79Å; I52-F65 HydrophobicContact CD1-CD2 3.9Å; I52-F65 HydrophobicContact CD1-CE2 4.02Å; I52-F65 HydrophobicContact CG1-CD2 3.85Å; I52-F65 HydrophobicContact CG1-CE2 3.75Å; Y63-F65 HydrophobicContact CD2-CE2 4.11Å; Y63-F65 HydrophobicContact CD2-CZ 4.44Å; Y63-F65 AromaticContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CZ 4.21Å; F65-A96 HydrophobicContact CD1-CB 3.91Å; F65-A96 HydrophobicContact CE1-CB 4.18Å |
| 66 | V | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 119.3 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | N21 L22 V24 L36 F40 V46 S48 A49 Y68 | N21-V66 CarbonylContact C-O 3.51Å; L22-V66 WeakPolarHBondContact CB-O 3.38Å; L22-V66 PolarHBondContact N-O 2.93Å; L22-V66 PolarHBondContact O-N 3.42Å; V24-V66 HydrophobicContact CG2-CG2 4.04Å; L36-V66 HydrophobicContact CD1-CG2 4.35Å; L36-V66 HydrophobicContact CD2-CG2 4.19Å; L36-V66 HydrophobicContact CG-CG2 4.11Å; F40-V66 HydrophobicContact CB-CG1 3.82Å; F40-V66 HydrophobicContact CB-CG2 4.42Å; F40-V66 HydrophobicContact CD1-CB 4.09Å; F40-V66 HydrophobicContact CD1-CG1 3.83Å; F40-V66 HydrophobicContact CD1-CG2 4.02Å; F40-V66 HydrophobicContact CD2-CG2 4.09Å; F40-V66 HydrophobicContact CE1-CG2 4.35Å; F40-V66 HydrophobicContact CE2-CG2 4.41Å; F40-V66 HydrophobicContact CG-CB 4.34Å; F40-V66 HydrophobicContact CG-CG1 3.93Å; F40-V66 HydrophobicContact CG-CG2 3.9Å; V46-V66 HydrophobicContact CG1-CG1 3.75Å; V46-V66 HydrophobicContact CG2-CG1 4.06Å; S48-V66 CarbonylContact O-C 3.46Å; S48-V66 WeakPolarHBondContact O-CA 3.46Å; A49-V66 HydrophobicContact CB-CG2 4.32Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 4Å |
| 67 | N | 92.3 | Very high | 88.4 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.5 | 172.4 | -154.2 | 30.3 | 0 | 0 | 0 | 109.5 | T20 N21 E47 S48 | T20-N67 WeakPolarHBondContact CB-OD1 3.29Å; T20-N67 PolarHBondContact O-OD1 3.43Å; T20-N67 PolarHBondContact OG1-OD1 3.44Å; N21-N67 VanDerWaalsContact CA-OD1 3.23Å; N21-N67 WeakPolarHBondContact CA-OD1 3.41Å; N21-N67 WeakPolarHBondContact CB-OD1 3.28Å; N21-N67 PolarHBondContact N-OD1 2.93Å; N21-N67 VanDerWaalsContact N-OD1 3.07Å; E47-N67 PolarHBondContact N-O 2.96Å; E47-N67 PolarHBondContact OE2-ND2 2.85Å; S48-N67 PolarHBondContact N-O 3.16Å; S48-N67 VanDerWaalsContact N-O 3.11Å; S48-N67 PolarHBondContact O-N 2.78Å; S48-N67 WeakPolarHBondContact OG-CB 3.19Å |
| 68 | Y | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 156.2 | 171.5 | -79.1 | -83.5 | 0 | 0 | 0 | 111.4 | T20 L22 F40 E45 V46 V66 T70 D73 A74 A77 | T20-Y68 WeakPolarHBondContact CB-O 3.43Å; T20-Y68 WeakPolarHBondContact CG2-O 3.03Å; T20-Y68 PolarHBondContact O-N 3.16Å; L22-Y68 HydrophobicContact CD1-CD2 4.02Å; L22-Y68 HydrophobicContact CD1-CE2 3.67Å; L22-Y68 HydrophobicContact CG-CD2 4.39Å; L22-Y68 HydrophobicContact CG-CE2 4.48Å; F40-Y68 WeakPolarHBondContact CA-OH 3.3Å; F40-Y68 VanDerWaalsContact CB-OH 3.32Å; F40-Y68 WeakPolarHBondContact CB-OH 3.2Å; F40-Y68 AromaticContact CD1-CE2 3.97Å; F40-Y68 HydrophobicContact CD1-CE2 3.97Å; F40-Y68 VanDerWaalsContact CD1-OH 3.3Å; F40-Y68 WeakPolarHBondContact CD1-OH 3.46Å; F40-Y68 PolarHBondContact O-OH 3.37Å; E45-Y68 WeakPolarHBondContact O-CD1 3.09Å; V46-Y68 HydrophobicContact CG2-CD1 4.09Å; V46-Y68 HydrophobicContact CG2-CE1 3.62Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 4Å; Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 WeakPolarHBondContact CB-O 3.24Å; Y68-D73 HydrophobicContact CD1-CB 3.41Å; Y68-D73 VanDerWaalsContact CD1-CB 3.41Å; Y68-D73 HydrophobicContact CE1-CB 3.93Å; Y68-D73 HydrophobicContact CG-CB 3.85Å; Y68-A74 VanDerWaalsContact CD2-CA 3.47Å; Y68-A74 HydrophobicContact CD2-CB 3.77Å; Y68-A74 HydrophobicContact CG-CB 4.27Å; Y68-A77 HydrophobicContact CE2-CB 3.53Å; Y68-A77 VanDerWaalsContact OH-CB 3.26Å; Y68-A77 WeakPolarHBondContact OH-CB 3.39Å |
| 69 | V | 90.5 | Very high | 90.1 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -68.5 | -36.8 | 169.4 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | E45 E47 | E45-V69 HydrophobicContact CB-CB 4.46Å; E45-V69 HydrophobicContact CB-CG2 4.15Å; E45-V69 HydrophobicContact CG-CG2 3.89Å; E45-V69 PolarHBondContact O-N 2.79Å; E47-V69 HydrophobicContact CB-CG2 3.89Å |
| 70 | T | 89.4 | Confident | 90.7 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -118.2 | 141.3 | -178.6 | 82.7 | 0 | 0 | 0 | 0 | 112.6 | Y68 K72 D73 A74 | Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 WeakPolarHBondContact CB-O 3.24Å; T70-K72 PolarHBondContact O-N 2.89Å; T70-D73 PolarHBondContact O-N 2.98Å; T70-D73 WeakPolarHBondContact OG1-CB 3.44Å; T70-D73 PolarHBondContact OG1-N 2.98Å; T70-D73 PolarHBondContact OG1-OD1 2.83Å; T70-D73 PolarHBondContact OG1-OD2 2.8Å; T70-A74 PolarHBondContact O-N 3.4Å |
| 71 | A | 89.8 | Confident | 91.1 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T20 D73 A74 E75 | T20-A71 HydrophobicContact CG2-CB 4.19Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.79Å; A71-A74 WeakPolarHBondContact O-CB 3.21Å; A71-A74 PolarHBondContact O-N 2.8Å; A71-E75 PolarHBondContact O-N 2.79Å |
| 72 | K | 90.4 | Very high | 91.5 | Very high | 161 Ų | 161 | 50.8 Ų | 50.8 | 70% | 0.7 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 174.5 | -68.8 | -176.9 | 178.2 | -179.7 | 0 | 111.6 | T70 R76 | T70-K72 PolarHBondContact O-N 2.89Å; K72-R76 VanDerWaalsContact O-CG 3.3Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 2.91Å |
| 73 | D | 92.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 176.7 | -62.5 | -24.9 | 0 | 0 | 0 | 111.5 | Y68 T70 A71 R76 A77 | Y68-D73 HydrophobicContact CD1-CB 3.41Å; Y68-D73 VanDerWaalsContact CD1-CB 3.41Å; Y68-D73 HydrophobicContact CE1-CB 3.93Å; Y68-D73 HydrophobicContact CG-CB 3.85Å; T70-D73 PolarHBondContact O-N 2.98Å; T70-D73 WeakPolarHBondContact OG1-CB 3.44Å; T70-D73 PolarHBondContact OG1-N 2.98Å; T70-D73 PolarHBondContact OG1-OD1 2.83Å; T70-D73 PolarHBondContact OG1-OD2 2.8Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.79Å; D73-R76 PolarHBondContact O-N 3.37Å; D73-R76 IonicContact OD1-CZ 3.88Å; D73-R76 IonicContact OD1-NE 3.86Å; D73-R76 IonicContact OD1-NH2 3.77Å; D73-R76 PolarHBondContact OD1-NH2 3.16Å; D73-A77 VanDerWaalsContact O-CB 3.3Å; D73-A77 WeakPolarHBondContact O-CB 3.39Å; D73-A77 PolarHBondContact O-N 2.63Å |
| 74 | A | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R19 L22 Y68 T70 A71 A77 I78 | R19-A74 WeakPolarHBondContact O-CB 3.42Å; L22-A74 HydrophobicContact CD1-CB 4.3Å; L22-A74 HydrophobicContact CD2-CB 3.98Å; L22-A74 HydrophobicContact CG-CB 4.14Å; Y68-A74 VanDerWaalsContact CD2-CA 3.47Å; Y68-A74 HydrophobicContact CD2-CB 3.77Å; Y68-A74 HydrophobicContact CG-CB 4.27Å; T70-A74 PolarHBondContact O-N 3.4Å; A71-A74 WeakPolarHBondContact O-CB 3.21Å; A71-A74 PolarHBondContact O-N 2.8Å; A74-A77 PolarHBondContact O-N 3.16Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.18Å |
| 75 | E | 91.4 | Very high | 91.5 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 175.9 | -177.1 | -179.5 | -119.6 | 0 | 0 | 111.8 | A71 A77 I78 N79 Y95 | A71-E75 PolarHBondContact O-N 2.79Å; E75-A77 PolarHBondContact O-N 3.47Å; E75-I78 PolarHBondContact O-N 2.97Å; E75-N79 PolarHBondContact O-N 3.48Å; E75-N79 PolarHBondContact O-ND2 3.29Å; E75-Y95 WeakPolarHBondContact CB-OH 3.39Å |
| 76 | R | 92.8 | Very high | 91.2 | Very high | 130 Ų | 130 | 60.2 Ų | 60.2 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -37.7 | 176.3 | -72.5 | -169.5 | -62.4 | 168.3 | 2 | 111.7 | I43 K72 D73 N79 T80 | I43-R76 HydrophobicContact CG2-CB 3.69Å; I43-R76 PolarHBondContact O-NH2 2.98Å; K72-R76 VanDerWaalsContact O-CG 3.3Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 2.91Å; D73-R76 PolarHBondContact O-N 3.37Å; D73-R76 IonicContact OD1-CZ 3.88Å; D73-R76 IonicContact OD1-NE 3.86Å; D73-R76 IonicContact OD1-NH2 3.77Å; D73-R76 PolarHBondContact OD1-NH2 3.16Å; R76-N79 PolarHBondContact O-N 3.16Å; R76-T80 VanDerWaalsContact O-CB 3.28Å; R76-T80 WeakPolarHBondContact O-CB 3.47Å; R76-T80 PolarHBondContact O-N 3.44Å; R76-T80 PolarHBondContact O-OG1 2.9Å |
| 77 | A | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L22 F40 I43 Y68 D73 A74 E75 L81 | L22-A77 HydrophobicContact CD1-CB 3.85Å; F40-A77 HydrophobicContact CD1-CB 4.26Å; F40-A77 HydrophobicContact CE1-CB 4.42Å; I43-A77 HydrophobicContact CB-CB 4.27Å; I43-A77 HydrophobicContact CG1-CB 4.26Å; I43-A77 HydrophobicContact CG2-CB 4Å; Y68-A77 HydrophobicContact CE2-CB 3.53Å; Y68-A77 VanDerWaalsContact OH-CB 3.26Å; Y68-A77 WeakPolarHBondContact OH-CB 3.39Å; D73-A77 VanDerWaalsContact O-CB 3.3Å; D73-A77 WeakPolarHBondContact O-CB 3.39Å; D73-A77 PolarHBondContact O-N 2.63Å; A74-A77 PolarHBondContact O-N 3.16Å; E75-A77 PolarHBondContact O-N 3.47Å; A77-L81 HydrophobicContact CB-CD1 4.37Å; A77-L81 WeakPolarHBondContact O-CA 3.47Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.45Å |
| 78 | I | 92.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 171.5 | -66.2 | 168.9 | 0 | 0 | 0 | 109.8 | L22 A74 E75 T80 N82 V93 Y95 | L22-I78 HydrophobicContact CD1-CG1 4.12Å; L22-I78 HydrophobicContact CD2-CD1 3.58Å; L22-I78 HydrophobicContact CD2-CG1 3.74Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.18Å; E75-I78 PolarHBondContact O-N 2.97Å; I78-T80 PolarHBondContact O-N 3.44Å; I78-N82 HydrophobicContact CG2-CB 4.44Å; I78-N82 WeakPolarHBondContact O-CB 3.45Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 VanDerWaalsContact O-N 3.08Å; I78-V93 HydrophobicContact CG1-CG1 3.95Å; I78-Y95 HydrophobicContact CD1-CD1 3.66Å; I78-Y95 HydrophobicContact CD1-CD2 3.62Å; I78-Y95 HydrophobicContact CD1-CE1 3.48Å; I78-Y95 VanDerWaalsContact CD1-CE1 3.48Å; I78-Y95 HydrophobicContact CD1-CE2 3.46Å; I78-Y95 VanDerWaalsContact CD1-CE2 3.46Å; I78-Y95 HydrophobicContact CD1-CG 3.73Å |
| 79 | N | 91.3 | Very high | 89.9 | Confident | 123 Ų | 123 | 72.6 Ų | 72.6 | 66% | 0.658 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65 | -28.5 | -175.2 | -69.6 | -25.6 | 0 | 0 | 0 | 113.3 | E75 R76 | E75-N79 PolarHBondContact O-N 3.48Å; E75-N79 PolarHBondContact O-ND2 3.29Å; R76-N79 PolarHBondContact O-N 3.16Å |
| 80 | T | 90.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -97.4 | -41.3 | -175.4 | -48.5 | 0 | 0 | 0 | 0 | 113.1 | I43 R76 I78 | I43-T80 HydrophobicContact CD1-CG2 3.85Å; R76-T80 VanDerWaalsContact O-CB 3.28Å; R76-T80 WeakPolarHBondContact O-CB 3.47Å; R76-T80 PolarHBondContact O-N 3.44Å; R76-T80 PolarHBondContact O-OG1 2.9Å; I78-T80 PolarHBondContact O-N 3.44Å |
| 81 | L | 92 | Very high | 90 | Very high | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -98.8 | -17.5 | -172 | -57.7 | 175.8 | 0 | 0 | 0 | 113.2 | L39 F40 I43 A77 G83 L84 I91 V93 | L39-L81 HydrophobicContact CD1-CD2 4.27Å; L39-L81 HydrophobicContact CG-CD1 4.5Å; L39-L81 HydrophobicContact CG-CD2 4.46Å; F40-L81 HydrophobicContact CD1-CD1 3.75Å; F40-L81 HydrophobicContact CD2-CD1 4.1Å; F40-L81 HydrophobicContact CE1-CD1 3.72Å; F40-L81 HydrophobicContact CE2-CD1 4.08Å; F40-L81 HydrophobicContact CG-CD1 3.93Å; F40-L81 HydrophobicContact CZ-CD1 3.87Å; I43-L81 HydrophobicContact CD1-CD2 4.4Å; I43-L81 HydrophobicContact CD1-CG 4.29Å; I43-L81 HydrophobicContact CG1-CD1 3.8Å; I43-L81 HydrophobicContact CG1-CD2 4.49Å; I43-L81 HydrophobicContact CG1-CG 4.06Å; A77-L81 HydrophobicContact CB-CD1 4.37Å; A77-L81 WeakPolarHBondContact O-CA 3.47Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.45Å; L81-G83 PolarHBondContact O-N 3.41Å; L81-L84 HydrophobicContact CD2-CD2 4.13Å; L81-L84 VanDerWaalsContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CB 3.12Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.09Å; L81-I91 WeakPolarHBondContact O-CG1 3.34Å; L81-V93 HydrophobicContact CB-CG2 4.02Å |
| 82 | N | 91.4 | Very high | 90 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 125.6 | 174.2 | -174.5 | 36 | 0 | 0 | 0 | 110.2 | I78 K92 V93 | I78-N82 HydrophobicContact CG2-CB 4.44Å; I78-N82 WeakPolarHBondContact O-CB 3.45Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 VanDerWaalsContact O-N 3.08Å; N82-K92 WeakPolarHBondContact OD1-CA 3.44Å; N82-V93 HydrophobicContact CB-CB 4.05Å; N82-V93 HydrophobicContact CB-CG2 4.48Å; N82-V93 PolarHBondContact OD1-N 3.27Å; N82-V93 PolarHBondContact OD1-O 3.22Å |
| 83 | G | 89.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 2.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L81 R85 T90 I91 | L81-G83 PolarHBondContact O-N 3.41Å; G83-R85 PolarHBondContact O-N 2.93Å; G83-T90 VanDerWaalsContact O-CG2 3.28Å; G83-T90 WeakPolarHBondContact O-CG2 3.27Å; G83-I91 WeakPolarHBondContact CA-O 3.38Å; G83-I91 PolarHBondContact N-O 2.79Å |
| 84 | L | 90.3 | Very high | 90 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 32% | 0.319 | 34% | 0.338 | S | S | . | . | trans | -65.8 | 131 | 175.6 | -175.9 | 70.3 | 0 | 0 | 0 | 110.5 | L39 L81 L86 T90 I91 | L39-L84 HydrophobicContact CD1-CD2 3.99Å; L39-L84 HydrophobicContact CD2-CD2 4.25Å; L81-L84 HydrophobicContact CD2-CD2 4.13Å; L81-L84 VanDerWaalsContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CB 3.12Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.09Å; L84-L86 HydrophobicContact CD2-CD2 3.88Å; L84-L86 HydrophobicContact CD2-CG 4.47Å; L84-L86 HydrophobicContact CG-CD2 4.19Å; L84-T90 WeakPolarHBondContact O-CA 3.45Å; L84-I91 HydrophobicContact CB-CD1 3.94Å; L84-I91 HydrophobicContact CB-CG1 3.96Å; L84-I91 HydrophobicContact CD2-CD1 4.29Å; L84-I91 WeakPolarHBondContact O-CG1 3.43Å; L84-I91 PolarHBondContact O-N 3.33Å | ||
| 85 | R | 90.2 | Very high | 89.9 | Confident | 191 Ų | 191 | 68.7 Ų | 68.7 | 72% | 0.721 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.3 | 179.1 | -167.8 | 171.6 | 176.1 | 175.2 | -0.6 | 110.4 | G83 K89 | G83-R85 PolarHBondContact O-N 2.93Å; R85-K89 CarbonylContact C-O 3.49Å; R85-K89 WeakPolarHBondContact CA-O 3.17Å |
| 86 | L | 86.8 | Confident | 89.6 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.2 | 173.4 | -60 | -174.9 | 0 | 0 | 0 | 109.3 | P28 M31 L39 L84 S88 K89 I91 | P28-L86 HydrophobicContact CG-CB 4.04Å; M31-L86 HydrophobicContact CE-CD1 3.93Å; M31-L86 HydrophobicContact SD-CD1 4Å; L39-L86 HydrophobicContact CD2-CD1 4.03Å; L84-L86 HydrophobicContact CD2-CD2 3.88Å; L84-L86 HydrophobicContact CD2-CG 4.47Å; L84-L86 HydrophobicContact CG-CD2 4.19Å; L86-S88 PolarHBondContact O-N 3.28Å; L86-K89 CarbonylContact C-O 3.49Å; L86-K89 PolarHBondContact N-O 3.08Å; L86-K89 PolarHBondContact O-N 2.97Å; L86-I91 HydrophobicContact CB-CG2 4.29Å; L86-I91 HydrophobicContact CD1-CD1 4.24Å; L86-I91 HydrophobicContact CD1-CG2 3.62Å; L86-I91 HydrophobicContact CG-CG2 3.9Å |
| 87 | Q | 83.7 | Confident | 88.8 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -116.4 | -176.1 | -57 | 168.3 | 1.3 | 0 | 0 | 111.7 | P28 N30 | P28-Q87 VanDerWaalsContact CB-OE1 3.28Å; N30-Q87 VanDerWaalsContact CG-NE2 3.35Å; N30-Q87 PolarHBondContact ND2-NE2 3.36Å; N30-Q87 PolarHBondContact OD1-NE2 3.5Å; N30-Q87 PolarHBondContact OD1-OE1 2.85Å; N30-Q87 VanDerWaalsContact OD1-OE1 3.11Å |
| 88 | S | 82.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 4.9 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | L86 | L86-S88 PolarHBondContact O-N 3.28Š|
| 89 | K | 85.9 | Confident | 86 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 28% | 0.278 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.7 | -176.6 | -61.7 | -169.1 | -175.3 | -179.6 | 0 | 112.1 | Y26 L27 R85 L86 | Y26-K89 VanDerWaalsContact O-CB 3.29Å; Y26-K89 WeakPolarHBondContact O-CB 3.26Å; Y26-K89 WeakPolarHBondContact O-CD 3.16Å; L27-K89 PolarHBondContact O-NZ 3.3Å; R85-K89 CarbonylContact C-O 3.49Å; R85-K89 WeakPolarHBondContact CA-O 3.17Å; L86-K89 CarbonylContact C-O 3.49Å; L86-K89 PolarHBondContact N-O 3.08Å; L86-K89 PolarHBondContact O-N 2.97Å |
| 90 | T | 89.7 | Confident | 84.4 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.1 | 169.3 | -57.8 | 0 | 0 | 0 | 0 | 107.6 | Y26 G83 L84 | Y26-T90 WeakPolarHBondContact CB-O 3.34Å; G83-T90 VanDerWaalsContact O-CG2 3.28Å; G83-T90 WeakPolarHBondContact O-CG2 3.27Å; L84-T90 WeakPolarHBondContact O-CA 3.45Å |
| 91 | I | 92 | Very high | 82.7 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | trans | -72.9 | 144.8 | -178.4 | 73.4 | -178.6 | 0 | 0 | 0 | 109.8 | V24 N25 L27 L39 L81 G83 L84 L86 V93 | V24-I91 HydrophobicContact CG1-CB 4.32Å; V24-I91 HydrophobicContact CG1-CD1 4.39Å; N25-I91 WeakPolarHBondContact O-CA 3.4Å; L27-I91 HydrophobicContact CD2-CB 4.46Å; L27-I91 HydrophobicContact CD2-CG2 3.85Å; L39-I91 HydrophobicContact CD2-CD1 4.22Å; L81-I91 WeakPolarHBondContact O-CG1 3.34Å; G83-I91 WeakPolarHBondContact CA-O 3.38Å; G83-I91 PolarHBondContact N-O 2.79Å; L84-I91 HydrophobicContact CB-CD1 3.94Å; L84-I91 HydrophobicContact CB-CG1 3.96Å; L84-I91 HydrophobicContact CD2-CD1 4.29Å; L84-I91 WeakPolarHBondContact O-CG1 3.43Å; L84-I91 PolarHBondContact O-N 3.33Å; L86-I91 HydrophobicContact CB-CG2 4.29Å; L86-I91 HydrophobicContact CD1-CD1 4.24Å; L86-I91 HydrophobicContact CD1-CG2 3.62Å; L86-I91 HydrophobicContact CG-CG2 3.9Å; I91-V93 HydrophobicContact CD1-CG2 4.24Å; I91-V93 HydrophobicContact CG1-CG2 4.29Å | ||
| 92 | K | 90.4 | Very high | 80.9 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 33% | 0.326 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.9 | 173.5 | -177.5 | 175 | -178.9 | 170.3 | 0 | 108.9 | V24 N25 Y26 N82 | V24-K92 CarbonylContact C-O 3.52Å; V24-K92 WeakPolarHBondContact CA-O 3.22Å; N25-K92 HydrophobicContact CB-CB 4.34Å; N25-K92 PolarHBondContact N-O 3.48Å; N25-K92 PolarHBondContact O-N 3.17Å; Y26-K92 HydrophobicContact CD2-CB 3.69Å; Y26-K92 HydrophobicContact CE2-CB 3.86Å; Y26-K92 HydrophobicContact CE2-CD 4.24Å; N82-K92 WeakPolarHBondContact OD1-CA 3.44Å |
| 93 | V | 92.6 | Very high | 79.3 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.012 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.1 | 178 | -168.9 | 0 | 0 | 0 | 0 | 108 | L22 V24 F40 I78 L81 N82 I91 | L22-V93 HydrophobicContact CB-CG1 4.35Å; L22-V93 HydrophobicContact CD1-CG1 3.85Å; V24-V93 HydrophobicContact CG1-CG2 4.23Å; F40-V93 HydrophobicContact CE1-CG1 3.88Å; F40-V93 HydrophobicContact CE1-CG2 4.29Å; F40-V93 HydrophobicContact CZ-CG1 4.17Å; F40-V93 HydrophobicContact CZ-CG2 3.82Å; I78-V93 HydrophobicContact CG1-CG1 3.95Å; L81-V93 HydrophobicContact CB-CG2 4.02Å; N82-V93 HydrophobicContact CB-CB 4.05Å; N82-V93 HydrophobicContact CB-CG2 4.48Å; N82-V93 PolarHBondContact OD1-N 3.27Å; N82-V93 PolarHBondContact OD1-O 3.22Å; I91-V93 HydrophobicContact CD1-CG2 4.24Å; I91-V93 HydrophobicContact CG1-CG2 4.29Å |
| 94 | S | 89.6 | Confident | 78.1 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 159.6 | 178.6 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | L22 I23 A96 | L22-S94 CarbonylContact C-O 3.55Å; L22-S94 WeakPolarHBondContact CA-O 3.44Å; I23-S94 WeakPolarHBondContact CG2-O 3.5Å; I23-S94 VanDerWaalsContact CG2-OG 3.32Å; I23-S94 WeakPolarHBondContact CG2-OG 3.44Å; I23-S94 PolarHBondContact N-O 3.32Å; I23-S94 PolarHBondContact O-N 3.4Å; I23-S94 VanDerWaalsContact O-N 3.09Å; S94-A96 PolarHBondContact O-N 3.21Å |
| 95 | Y | 89.6 | Confident | 77 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 128.9 | 173.3 | -66.6 | -66.3 | 0 | 0 | 0 | 111.1 | R19 L22 E75 I78 | R19-Y95 HydrophobicContact CB-CD1 3.35Å; R19-Y95 HydrophobicContact CB-CE1 3.74Å; R19-Y95 HydrophobicContact CB-CG 3.99Å; R19-Y95 HydrophobicContact CG-CD1 4.4Å; R19-Y95 WeakPolarHBondContact O-CD1 3.31Å; R19-Y95 VanDerWaalsContact O-CE1 3.23Å; R19-Y95 WeakPolarHBondContact O-CE1 3.1Å; L22-Y95 HydrophobicContact CD2-CD1 3.62Å; L22-Y95 HydrophobicContact CD2-CE1 4Å; L22-Y95 HydrophobicContact CD2-CG 4.42Å; E75-Y95 WeakPolarHBondContact CB-OH 3.39Å; I78-Y95 HydrophobicContact CD1-CD1 3.66Å; I78-Y95 HydrophobicContact CD1-CD2 3.62Å; I78-Y95 HydrophobicContact CD1-CE1 3.48Å; I78-Y95 VanDerWaalsContact CD1-CE1 3.48Å; I78-Y95 HydrophobicContact CD1-CE2 3.46Å; I78-Y95 VanDerWaalsContact CD1-CE2 3.46Å; I78-Y95 HydrophobicContact CD1-CG 3.73Å |
| 96 | A | 83.9 | Confident | 76.6 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 141.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N21 I23 F65 S94 | N21-A96 HydrophobicContact CB-CB 3.93Å; N21-A96 VanDerWaalsContact CG-CB 3.44Å; N21-A96 WeakPolarHBondContact O-CB 3.33Å; N21-A96 PolarHBondContact O-N 2.77Å; N21-A96 WeakPolarHBondContact OD1-CB 3.24Å; I23-A96 HydrophobicContact CB-CB 4.2Å; F65-A96 HydrophobicContact CD1-CB 3.91Å; F65-A96 HydrophobicContact CE1-CB 4.18Å; S94-A96 PolarHBondContact O-N 3.21Å |
| 97 | R | 76.1 | Confident | 76.7 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 139.7 | 174.4 | -56.1 | -172.2 | 69.5 | -138.8 | -12.8 | 108.2 | S99 D155 | R97-S99 PolarHBondContact O-N 2.97Å; R97-D155 IonicContact CZ-OD1 2.71Å; R97-D155 IonicContact CZ-OD2 3.55Å; R97-D155 IonicContact NE-OD1 2.96Å; R97-D155 PolarHBondContact NE-OD1 2.74Å; R97-D155 VanDerWaalsContact NH1-CG 3.26Å; R97-D155 PolarHBondContact NH1-O 3.48Å; R97-D155 IonicContact NH1-OD1 3.51Å; R97-D155 PolarHBondContact NH1-OD1 3Å; R97-D155 IonicContact NH1-OD2 2.63Å; R97-D155 IonicContact NH2-OD1 3.62Å; R97-D155 PolarHBondContact NH2-OD1 3.07Å; R97-D155 IonicContact NH2-OD2 3.69Å; R97-D155 PolarHBondContact NH2-OD2 3.01Å |
| 98 | P | 67.6 | Low | 77 | Confident | 101 Ų | 101 | 61 Ų | 61 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 128.1 | 173.6 | 22.8 | -31.1 | 0 | 0 | 0 | 108.3 | S100 I103 | P98-S100 VanDerWaalsContact C-N 3.29Å; P98-S100 PolarHBondContact O-N 2.8Å; P98-I103 WeakPolarHBondContact O-CD1 3.14Å |
| 99 | S | 61 | Low | 77.4 | Confident | 113 Ų | 113 | 58.8 Ų | 58.8 | 79% | 0.79 | 31% | 0.311 | S | S | * | . | trans | -73.8 | 83.1 | -177.1 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | R97 | R97-S99 PolarHBondContact O-N 2.97Š| ||
| 100 | S | 57.9 | Low | 77.7 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | trans | -84.2 | 143.7 | 168.3 | -76.8 | 0 | 0 | 0 | 0 | 110.4 | P98 V102 I103 | P98-S100 VanDerWaalsContact C-N 3.29Å; P98-S100 PolarHBondContact O-N 2.8Å; S100-V102 PolarHBondContact O-N 2.74Å; S100-V102 VanDerWaalsContact O-N 3.15Å; S100-I103 WeakPolarHBondContact O-CB 3.36Å; S100-I103 PolarHBondContact O-N 2.77Å | ||
| 101 | E | 53.1 | Low | 77.6 | Confident | 157 Ų | 157 | 53.3 Ų | 53.3 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -58.2 | -26.2 | 175.1 | -65.5 | -171.6 | 147.2 | 0 | 0 | 112.3 | I103 K104 | E101-I103 PolarHBondContact O-N 2.97Å; E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3Å; E101-K104 IonicContact OE1-NZ 3.89Å |
| 102 | V | 54.3 | Low | 77.3 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65 | -18.6 | 173.7 | -163.3 | 0 | 0 | 0 | 0 | 113.5 | S100 R157 | S100-V102 PolarHBondContact O-N 2.74Å; S100-V102 VanDerWaalsContact O-N 3.15Å; V102-R157 WeakPolarHBondContact O-CB 3.45Å; V102-R157 PolarHBondContact O-N 3.48Å |
| 103 | I | 59.5 | Low | 77.1 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -100.4 | -7.8 | -178.3 | -44.6 | 172.4 | 0 | 0 | 0 | 110.8 | P98 S100 E101 | P98-I103 WeakPolarHBondContact O-CD1 3.14Å; S100-I103 WeakPolarHBondContact O-CB 3.36Å; S100-I103 PolarHBondContact O-N 2.77Å; E101-I103 PolarHBondContact O-N 2.97Å |
| 104 | K | 62.5 | Low | 76.7 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 48% | 0.478 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 135.2 | 169.7 | -60.8 | 176.6 | -174.5 | 168.3 | 0 | 107.6 | E101 | E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3Å; E101-K104 IonicContact OE1-NZ 3.89Å |
| 105 | D | 67.3 | Low | 76.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 26 | 177.1 | -45.2 | -38.4 | 0 | 0 | 0 | 117.3 | N107 R157 F183 | D105-N107 PolarHBondContact O-N 3.49Å; D105-R157 IonicContact OD2-NH1 3.76Å; D105-F183 WeakPolarHBondContact O-CD1 3.23Å; D105-F183 WeakPolarHBondContact O-CE1 3.43Å |
| 106 | A | 82.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -82.8 | 16.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R153 F154 | A106-R153 WeakPolarHBondContact O-CA 3.38Å; A106-F154 HydrophobicContact CB-CB 4.31Å; A106-F154 WeakPolarHBondContact CB-O 3.42Å; A106-F154 PolarHBondContact O-N 2.83Å | ||
| 107 | N | 88.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.3 | 178.5 | -63.3 | -23.9 | 0 | 0 | 0 | 109 | D105 I152 R153 F183 A184 N186 | D105-N107 PolarHBondContact O-N 3.49Å; N107-I152 CarbonylContact C-O 3.52Å; N107-I152 WeakPolarHBondContact CA-O 3.45Å; N107-R153 WeakPolarHBondContact OD1-CB 2.9Å; N107-R153 WeakPolarHBondContact OD1-CD 3.5Å; N107-R153 WeakPolarHBondContact OD1-CG 3.3Å; N107-R153 PolarHBondContact OD1-NE 2.93Å; N107-F183 WeakPolarHBondContact O-CA 3.41Å; N107-A184 HydrophobicContact CB-CB 3.87Å; N107-A184 PolarHBondContact O-N 2.88Å; N107-N186 PolarHBondContact ND2-OD1 2.76Å |
| 108 | L | 90.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.4 | 174.6 | -60.7 | -170.8 | 0 | 0 | 0 | 111.2 | F151 I152 F154 A160 A163 I164 V181 K182 F183 | L108-F151 VanDerWaalsContact O-CA 3.27Å; L108-F151 WeakPolarHBondContact O-CA 3.25Å; L108-I152 PolarHBondContact N-O 3.27Å; L108-I152 PolarHBondContact O-N 2.93Å; L108-F154 HydrophobicContact CD1-CD2 3.81Å; L108-F154 HydrophobicContact CD1-CE2 3.53Å; L108-F154 HydrophobicContact CG-CD2 4.18Å; L108-F154 HydrophobicContact CG-CE2 4.33Å; L108-A160 HydrophobicContact CD1-CB 4.21Å; L108-A160 HydrophobicContact CD2-CB 3.82Å; L108-A160 HydrophobicContact CG-CB 3.99Å; L108-A163 HydrophobicContact CD1-CB 3.8Å; L108-I164 HydrophobicContact CD1-CG1 4.33Å; L108-I164 HydrophobicContact CD2-CD1 3.48Å; L108-I164 VanDerWaalsContact CD2-CD1 3.48Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å; L108-V181 HydrophobicContact CB-CG1 4.4Å; L108-V181 HydrophobicContact CD1-CG1 3.77Å; L108-K182 CarbonylContact C-O 3.57Å; L108-K182 WeakPolarHBondContact CA-O 3.41Å; L108-F183 HydrophobicContact CD2-CD1 3.98Å; L108-F183 HydrophobicContact CD2-CE1 4.27Å |
| 109 | Y | 91.1 | Very high | 77.7 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | 165.7 | 173.8 | -87 | 0 | 0 | 0 | 108.1 | S111 V149 F151 K182 | Y109-S111 VanDerWaalsContact CE1-CB 3.48Å; Y109-S111 WeakPolarHBondContact CE1-OG 3.43Å; Y109-V149 HydrophobicContact CD2-CG1 4.03Å; Y109-V149 HydrophobicContact CE2-CG1 3.31Å; Y109-F151 HydrophobicContact CD2-CD1 4.37Å; Y109-F151 AromaticContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE2 4.25Å; Y109-F151 AromaticContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CE2-CZ 4.03Å; Y109-F151 HydrophobicContact CG-CE1 4.48Å; Y109-K182 HydrophobicContact CD1-CD 4.21Å; Y109-K182 HydrophobicContact CD1-CG 3.94Å; Y109-K182 HydrophobicContact CG-CG 4.46Å; Y109-K182 PolarHBondContact N-O 3.37Å; Y109-K182 PolarHBondContact O-N 3.05Å |
| 110 | I | 90.8 | Very high | 79 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.5 | -178.2 | -57.2 | 154.2 | 0 | 0 | 0 | 107.1 | L113 V122 F126 V149 A150 I152 I179 T180 V181 | I110-L113 HydrophobicContact CB-CD1 4.31Å; I110-L113 HydrophobicContact CG2-CD1 3.74Å; I110-L113 HydrophobicContact CG2-CD2 3.76Å; I110-L113 HydrophobicContact CG2-CG 3.75Å; I110-V122 HydrophobicContact CD1-CG1 4.44Å; I110-F126 HydrophobicContact CD1-CD1 4.31Å; I110-F126 HydrophobicContact CD1-CD2 4.24Å; I110-F126 HydrophobicContact CD1-CE1 3.86Å; I110-F126 HydrophobicContact CD1-CE2 3.78Å; I110-F126 HydrophobicContact CD1-CG 4.49Å; I110-F126 HydrophobicContact CD1-CZ 3.58Å; I110-F126 HydrophobicContact CG1-CE1 4.24Å; I110-F126 HydrophobicContact CG1-CE2 4.48Å; I110-F126 HydrophobicContact CG1-CZ 3.9Å; I110-F126 HydrophobicContact CG2-CE2 4.41Å; I110-F126 HydrophobicContact CG2-CZ 4.13Å; I110-V149 CarbonylContact O-C 3.53Å; I110-V149 VanDerWaalsContact O-CA 3.22Å; I110-V149 WeakPolarHBondContact O-CA 3.3Å; I110-A150 HydrophobicContact CB-CB 4.36Å; I110-A150 HydrophobicContact CD1-CB 4.48Å; I110-A150 PolarHBondContact N-O 2.94Å; I110-A150 PolarHBondContact O-N 3.37Å; I110-I152 HydrophobicContact CD1-CB 4.11Å; I110-I152 HydrophobicContact CD1-CD1 3.35Å; I110-I152 HydrophobicContact CD1-CG1 3.57Å; I110-I179 HydrophobicContact CG2-CG2 3.43Å; I110-I179 VanDerWaalsContact CG2-CG2 3.43Å; I110-T180 CarbonylContact C-O 3.52Å; I110-T180 VanDerWaalsContact CA-O 3.28Å; I110-T180 WeakPolarHBondContact CA-O 3.49Å; I110-V181 HydrophobicContact CG1-CG1 4.12Å; I110-V181 HydrophobicContact CG1-CG2 4.34Å; I110-V181 HydrophobicContact CG2-CG2 4.35Å |
| 111 | S | 89.6 | Confident | 80.5 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161.1 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | Y109 G148 I179 T180 | Y109-S111 VanDerWaalsContact CE1-CB 3.48Å; Y109-S111 WeakPolarHBondContact CE1-OG 3.43Å; S111-G148 CarbonylContact C-O 3.6Å; S111-G148 WeakPolarHBondContact CA-O 3.19Å; S111-I179 CarbonylContact O-C 3.5Å; S111-I179 VanDerWaalsContact O-CA 3.31Å; S111-I179 WeakPolarHBondContact O-CA 3.45Å; S111-T180 PolarHBondContact N-O 2.91Å; S111-T180 PolarHBondContact O-N 2.75Å |
| 112 | G | 85.3 | Confident | 82.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 82.1 | 20.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G148 | G112-G148 PolarHBondContact N-O 3.48Š|
| 113 | L | 86.8 | Confident | 83.9 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -75.3 | 142.6 | 172.8 | -63.7 | 169.2 | 0 | 0 | 0 | 110.2 | I110 M117 V122 G148 A150 I179 | I110-L113 HydrophobicContact CB-CD1 4.31Å; I110-L113 HydrophobicContact CG2-CD1 3.74Å; I110-L113 HydrophobicContact CG2-CD2 3.76Å; I110-L113 HydrophobicContact CG2-CG 3.75Å; L113-M117 HydrophobicContact CB-SD 4.49Å; L113-M117 HydrophobicContact CD2-SD 3.76Å; L113-V122 HydrophobicContact CD1-CG2 3.78Å; L113-V122 HydrophobicContact CD2-CG2 4.47Å; L113-G148 PolarHBondContact N-O 3.23Å; L113-G148 WeakPolarHBondContact O-CA 3.5Å; L113-A150 HydrophobicContact CD1-CB 3.46Å; L113-A150 VanDerWaalsContact CD1-CB 3.46Å; L113-I179 HydrophobicContact CD2-CD1 3.8Å; L113-I179 HydrophobicContact CD2-CG1 3.97Å; L113-I179 HydrophobicContact CD2-CG2 4.28Å | ||
| 114 | P | 84.1 | Confident | 85.3 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | trans | -56.3 | 143.4 | 172.8 | -17.2 | 25.4 | 0 | 0 | 0 | 111.3 | S116 M117 P172 | P114-S116 PolarHBondContact O-N 3.45Å; P114-M117 HydrophobicContact CB-CB 4.29Å; P114-M117 HydrophobicContact CG-CB 4.41Å; P114-M117 VanDerWaalsContact O-CB 3.25Å; P114-M117 WeakPolarHBondContact O-CB 3.27Å; P114-M117 PolarHBondContact O-N 3.41Å; P114-P172 HydrophobicContact CG-CB 4.31Å; P114-P172 HydrophobicContact CG-CG 3.89Å | ||
| 115 | R | 83.1 | Confident | 86.5 | Confident | 170 Ų | 170 | 52.4 Ų | 52.4 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.7 | 178 | -63.6 | -175.9 | -178.1 | -106.9 | 8.1 | 113.2 | M117 S146 | R115-M117 VanDerWaalsContact C-N 3.27Å; R115-S146 PolarHBondContact NH1-O 3.29Å; R115-S146 WeakPolarHBondContact O-CB 3.46Å; R115-S146 PolarHBondContact O-OG 2.63Å |
| 116 | S | 83.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 73% | 0.734 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.2 | 173.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | P114 | P114-S116 PolarHBondContact O-N 3.45Š|
| 117 | M | 83.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -78.9 | 125.7 | -174 | -159.6 | 173.1 | 179.2 | 0 | 0 | 110.7 | L113 P114 R115 D121 V122 M125 | L113-M117 HydrophobicContact CB-SD 4.49Å; L113-M117 HydrophobicContact CD2-SD 3.76Å; P114-M117 HydrophobicContact CB-CB 4.29Å; P114-M117 HydrophobicContact CG-CB 4.41Å; P114-M117 VanDerWaalsContact O-CB 3.25Å; P114-M117 WeakPolarHBondContact O-CB 3.27Å; P114-M117 PolarHBondContact O-N 3.41Å; R115-M117 VanDerWaalsContact C-N 3.27Å; M117-D121 HydrophobicContact CE-CB 3.85Å; M117-D121 WeakPolarHBondContact CE-O 3.23Å; M117-D121 HydrophobicContact CG-CB 3.65Å; M117-V122 HydrophobicContact CE-CB 4.33Å; M117-V122 HydrophobicContact CE-CG2 3.73Å; M117-V122 HydrophobicContact CG-CG2 3.95Å; M117-V122 HydrophobicContact SD-CG2 3.89Å; M117-M125 HydrophobicContact CE-CB 4.22Å; M117-M125 HydrophobicContact CE-CE 3.29Å; M117-M125 HydrophobicContact CE-SD 3.73Å; M117-M125 HydrophobicContact SD-CE 4.29Å | ||
| 118 | T | 87.8 | Confident | 87.8 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | trans | -90.1 | 168.3 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | K120 D121 V122 | T118-K120 PolarHBondContact O-N 2.86Å; T118-K120 PolarHBondContact OG1-N 3.09Å; T118-D121 WeakPolarHBondContact CB-OD2 3.31Å; T118-D121 PolarHBondContact N-OD2 2.83Å; T118-D121 PolarHBondContact O-N 2.97Å; T118-D121 PolarHBondContact OG1-N 3.31Å; T118-D121 PolarHBondContact OG1-OD2 2.84Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 2.75Å; T118-V122 VanDerWaalsContact O-N 3.09Å | ||
| 119 | Q | 88.3 | Confident | 87.6 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 173.1 | 179 | -178.8 | -17.1 | 0 | 0 | 112.2 | V122 E123 S135 V137 | Q119-V122 PolarHBondContact O-N 2.73Å; Q119-E123 WeakPolarHBondContact O-CB 3.44Å; Q119-E123 PolarHBondContact O-N 3.4Å; Q119-S135 WeakPolarHBondContact CG-OG 3.45Å; Q119-S135 PolarHBondContact NE2-O 2.9Å; Q119-S135 PolarHBondContact NE2-OG 2.77Å; Q119-V137 HydrophobicContact CB-CB 4.47Å; Q119-V137 HydrophobicContact CB-CG2 3.94Å |
| 120 | K | 88.1 | Confident | 87.4 | Confident | 143 Ų | 143 | 59.1 Ų | 59.1 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 179 | -177.9 | 167.7 | 179.2 | 159.4 | 0 | 111.5 | T118 V122 E123 D124 | T118-K120 PolarHBondContact O-N 2.86Å; T118-K120 PolarHBondContact OG1-N 3.09Å; K120-V122 VanDerWaalsContact C-N 3.26Å; K120-V122 PolarHBondContact O-N 3.11Å; K120-E123 WeakPolarHBondContact O-CB 3.22Å; K120-E123 PolarHBondContact O-N 2.68Å; K120-E123 VanDerWaalsContact O-N 3.12Å; K120-D124 PolarHBondContact O-N 2.78Å |
| 121 | D | 88.9 | Confident | 87.2 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.2 | -54.8 | -48.2 | 0 | 0 | 0 | 111.6 | M117 T118 M125 | M117-D121 HydrophobicContact CE-CB 3.85Å; M117-D121 WeakPolarHBondContact CE-O 3.23Å; M117-D121 HydrophobicContact CG-CB 3.65Å; T118-D121 WeakPolarHBondContact CB-OD2 3.31Å; T118-D121 PolarHBondContact N-OD2 2.83Å; T118-D121 PolarHBondContact O-N 2.97Å; T118-D121 PolarHBondContact OG1-N 3.31Å; T118-D121 PolarHBondContact OG1-OD2 2.84Å; D121-M125 VanDerWaalsContact O-CB 3.28Å; D121-M125 WeakPolarHBondContact O-CB 3.28Å; D121-M125 PolarHBondContact O-N 3.48Å |
| 122 | V | 88.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | I110 L113 M117 T118 Q119 K120 M125 F126 V137 A150 I152 | I110-V122 HydrophobicContact CD1-CG1 4.44Å; L113-V122 HydrophobicContact CD1-CG2 3.78Å; L113-V122 HydrophobicContact CD2-CG2 4.47Å; M117-V122 HydrophobicContact CE-CB 4.33Å; M117-V122 HydrophobicContact CE-CG2 3.73Å; M117-V122 HydrophobicContact CG-CG2 3.95Å; M117-V122 HydrophobicContact SD-CG2 3.89Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 2.75Å; T118-V122 VanDerWaalsContact O-N 3.09Å; Q119-V122 PolarHBondContact O-N 2.73Å; K120-V122 VanDerWaalsContact C-N 3.26Å; K120-V122 PolarHBondContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 2.82Å; V122-F126 HydrophobicContact CG1-CD2 4.2Å; V122-F126 VanDerWaalsContact O-CD2 3.29Å; V122-F126 WeakPolarHBondContact O-CD2 3.36Å; V122-F126 PolarHBondContact O-N 2.84Å; V122-F126 VanDerWaalsContact O-N 3.15Å; V122-V137 HydrophobicContact CG2-CG2 4.13Å; V122-A150 HydrophobicContact CG1-CB 4Å; V122-I152 HydrophobicContact CG1-CD1 3.6Å; V122-I152 HydrophobicContact CG1-CG1 4.12Å |
| 123 | E | 90.4 | Very high | 87.1 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 36% | 0.36 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.2 | -170.3 | 168.7 | 153.1 | 0 | 0 | 111.8 | Q119 K120 M125 F126 S127 I132 S135 | Q119-E123 WeakPolarHBondContact O-CB 3.44Å; Q119-E123 PolarHBondContact O-N 3.4Å; K120-E123 WeakPolarHBondContact O-CB 3.22Å; K120-E123 PolarHBondContact O-N 2.68Å; K120-E123 VanDerWaalsContact O-N 3.12Å; E123-M125 VanDerWaalsContact C-N 3.28Å; E123-M125 PolarHBondContact O-N 2.64Å; E123-F126 PolarHBondContact O-N 2.89Å; E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 3.2Å; E123-S127 PolarHBondContact O-OG 2.88Å; E123-I132 HydrophobicContact CB-CD1 4.43Å; E123-I132 HydrophobicContact CG-CD1 3.87Å; E123-I132 WeakPolarHBondContact O-CD1 3.3Å; E123-S135 PolarHBondContact OE2-OG 3.24Å |
| 124 | D | 88.9 | Confident | 87 | Confident | 92 Ų | 92 | 71 Ų | 71 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 178.4 | -72.6 | -29.2 | 0 | 0 | 0 | 112.4 | K120 S127 | K120-D124 PolarHBondContact O-N 2.78Å; D124-S127 PolarHBondContact O-OG 2.79Å |
| 125 | M | 87.3 | Confident | 87.2 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.4 | -39.4 | 176.9 | -178.6 | 177.2 | -71.6 | 0 | 0 | 112.6 | M117 D121 V122 E123 R128 F167 I179 | M117-M125 HydrophobicContact CE-CB 4.22Å; M117-M125 HydrophobicContact CE-CE 3.29Å; M117-M125 HydrophobicContact CE-SD 3.73Å; M117-M125 HydrophobicContact SD-CE 4.29Å; D121-M125 VanDerWaalsContact O-CB 3.28Å; D121-M125 WeakPolarHBondContact O-CB 3.28Å; D121-M125 PolarHBondContact O-N 3.48Å; V122-M125 PolarHBondContact O-N 2.82Å; E123-M125 VanDerWaalsContact C-N 3.28Å; E123-M125 PolarHBondContact O-N 2.64Å; M125-R128 WeakPolarHBondContact O-CG 3.47Å; M125-F167 HydrophobicContact CE-CE1 4.45Å; M125-F167 HydrophobicContact CG-CD1 4.24Å; M125-F167 HydrophobicContact CG-CE1 3.39Å; M125-F167 HydrophobicContact CG-CZ 3.59Å; M125-F167 HydrophobicContact SD-CD1 3.98Å; M125-F167 HydrophobicContact SD-CE1 3.36Å; M125-F167 WeakPolarHBondContact SD-CE1 3.46Å; M125-F167 HydrophobicContact SD-CZ 4.19Å; M125-I179 HydrophobicContact SD-CD1 4.37Å |
| 126 | F | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -96.9 | -16.7 | -173.4 | -80.4 | -96.2 | 0 | 0 | 0 | 113.5 | I110 V122 E123 R128 F129 I132 I152 F154 A163 F167 V181 | I110-F126 HydrophobicContact CD1-CD1 4.31Å; I110-F126 HydrophobicContact CD1-CD2 4.24Å; I110-F126 HydrophobicContact CD1-CE1 3.86Å; I110-F126 HydrophobicContact CD1-CE2 3.78Å; I110-F126 HydrophobicContact CD1-CG 4.49Å; I110-F126 HydrophobicContact CD1-CZ 3.58Å; I110-F126 HydrophobicContact CG1-CE1 4.24Å; I110-F126 HydrophobicContact CG1-CE2 4.48Å; I110-F126 HydrophobicContact CG1-CZ 3.9Å; I110-F126 HydrophobicContact CG2-CE2 4.41Å; I110-F126 HydrophobicContact CG2-CZ 4.13Å; V122-F126 HydrophobicContact CG1-CD2 4.2Å; V122-F126 VanDerWaalsContact O-CD2 3.29Å; V122-F126 WeakPolarHBondContact O-CD2 3.36Å; V122-F126 PolarHBondContact O-N 2.84Å; V122-F126 VanDerWaalsContact O-N 3.15Å; E123-F126 PolarHBondContact O-N 2.89Å; F126-R128 PolarHBondContact O-N 3.46Å; F126-R128 VanDerWaalsContact O-N 3.16Å; F126-F129 HydrophobicContact CD1-CD2 4.46Å; F126-F129 PolarHBondContact O-N 2.88Å; F126-F129 VanDerWaalsContact O-N 3.11Å; F126-I132 HydrophobicContact CB-CD1 3.91Å; F126-I152 HydrophobicContact CB-CD1 3.4Å; F126-I152 VanDerWaalsContact CB-CD1 3.4Å; F126-I152 HydrophobicContact CD1-CD1 3.89Å; F126-I152 HydrophobicContact CD2-CD1 3.58Å; F126-I152 HydrophobicContact CE2-CD1 4.3Å; F126-I152 HydrophobicContact CG-CD1 3.34Å; F126-F154 HydrophobicContact CB-CZ 3.99Å; F126-F154 HydrophobicContact CD1-CE2 4.31Å; F126-F154 HydrophobicContact CD1-CZ 4.19Å; F126-F154 WeakPolarHBondContact O-CE1 3.5Å; F126-F154 WeakPolarHBondContact O-CZ 3.48Å; F126-A163 HydrophobicContact CD1-CB 4.1Å; F126-A163 HydrophobicContact CE1-CB 4.33Å; F126-F167 HydrophobicContact CE1-CB 4.23Å; F126-F167 HydrophobicContact CZ-CB 4.23Å; F126-F167 HydrophobicContact CZ-CD1 4.33Å; F126-F167 HydrophobicContact CZ-CG 4.38Å; F126-V181 HydrophobicContact CE1-CG1 4.13Å; F126-V181 HydrophobicContact CE1-CG2 4.08Å; F126-V181 HydrophobicContact CZ-CG2 3.87Å |
| 127 | S | 89.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.5 | -180 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | E123 D124 F129 G130 | E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 3.2Å; E123-S127 PolarHBondContact O-OG 2.88Å; D124-S127 PolarHBondContact O-OG 2.79Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.23Å; S127-G130 PolarHBondContact O-N 3.4Å; S127-G130 VanDerWaalsContact O-O 3.04Å |
| 128 | R | 88.8 | Confident | 87.9 | Confident | 187 Ų | 187 | 67.3 Ų | 67.3 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -66.1 | -22.8 | 174.6 | 66.5 | 179 | 51.5 | -163.9 | -9.1 | 114.6 | M125 F126 | M125-R128 WeakPolarHBondContact O-CG 3.47Å; F126-R128 PolarHBondContact O-N 3.46Å; F126-R128 VanDerWaalsContact O-N 3.16Å |
| 129 | F | 87.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -88.7 | -18.9 | -178.7 | -63.8 | -69.8 | 0 | 0 | 0 | 113 | F126 S127 F154 E159 E162 A163 N166 F167 | F126-F129 HydrophobicContact CD1-CD2 4.46Å; F126-F129 PolarHBondContact O-N 2.88Å; F126-F129 VanDerWaalsContact O-N 3.11Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.23Å; F129-F154 HydrophobicContact CB-CE1 4.17Å; F129-F154 HydrophobicContact CB-CZ 4.13Å; F129-E159 WeakPolarHBondContact O-CB 3.42Å; F129-E162 HydrophobicContact CD1-CB 4.43Å; F129-A163 HydrophobicContact CB-CB 4Å; F129-A163 HydrophobicContact CD2-CB 3.94Å; F129-A163 HydrophobicContact CG-CB 3.88Å; F129-N166 HydrophobicContact CE1-CB 3.63Å; F129-N166 HydrophobicContact CZ-CB 3.82Å; F129-F167 HydrophobicContact CD2-CD2 4.4Å; F129-F167 HydrophobicContact CE1-CD2 4.4Å; F129-F167 AromaticContact CE2-CD2 3.16Å; F129-F167 HydrophobicContact CE2-CD2 3.16Å; F129-F167 AromaticContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CG 4.24Å; F129-F167 HydrophobicContact CE2-CZ 4.29Å; F129-F167 AromaticContact CZ-CD2 3.18Å; F129-F167 HydrophobicContact CZ-CD2 3.18Å; F129-F167 AromaticContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CG 4.47Å |
| 130 | G | 86.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 166.3 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S127 I132 | S127-G130 PolarHBondContact O-N 3.4Å; S127-G130 VanDerWaalsContact O-O 3.04Å; G130-I132 PolarHBondContact O-N 3.25Å |
| 131 | R | 86.4 | Confident | 87.2 | Confident | 160 Ų | 160 | 67.6 Ų | 67.6 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | trans | -74.9 | 117.5 | -178.6 | -179.4 | 179.5 | -69 | -127.3 | 3.1 | 109.5 | D155 | R131-D155 HydrophobicContact CB-CB 3.89Å; R131-D155 HydrophobicContact CG-CB 4.46Å; R131-D155 WeakPolarHBondContact O-CB 3.39Å; R131-D155 PolarHBondContact O-N 2.86Å | ||
| 132 | I | 88.9 | Confident | 86.8 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.5 | 177.3 | -64.7 | 171.3 | 0 | 0 | 0 | 109.6 | E123 F126 G130 I152 F154 | E123-I132 HydrophobicContact CB-CD1 4.43Å; E123-I132 HydrophobicContact CG-CD1 3.87Å; E123-I132 WeakPolarHBondContact O-CD1 3.3Å; F126-I132 HydrophobicContact CB-CD1 3.91Å; G130-I132 PolarHBondContact O-N 3.25Å; I132-I152 HydrophobicContact CD1-CD1 4.48Å; I132-I152 HydrophobicContact CD1-CG2 4.19Å; I132-I152 HydrophobicContact CG1-CG2 3.93Å; I132-I152 HydrophobicContact CG2-CG2 4Å; I132-F154 HydrophobicContact CG1-CD1 4.25Å; I132-F154 HydrophobicContact CG1-CE1 3.84Å; I132-F154 HydrophobicContact CG1-CZ 4.34Å |
| 133 | I | 83.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -35.7 | 176.2 | -60.6 | -58.9 | 0 | 0 | 0 | 111.5 | R153 D155 | I133-R153 HydrophobicContact CB-CB 4.45Å; I133-R153 HydrophobicContact CB-CG 4.17Å; I133-R153 WeakPolarHBondContact CB-O 3.26Å; I133-R153 PolarHBondContact N-O 2.95Å; I133-D155 HydrophobicContact CD1-CB 4.26Å; I133-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I133-D155 HydrophobicContact CG1-CB 4.3Å |
| 134 | N | 84.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 130.3 | 179.8 | -164.5 | -67.2 | 0 | 0 | 0 | 109.6 | I152 R153 | N134-I152 CarbonylContact O-C 3.55Å; N134-I152 WeakPolarHBondContact O-CA 3.3Å; N134-R153 HydrophobicContact CB-CB 4.05Å; N134-R153 PolarHBondContact N-O 3.24Å; N134-R153 PolarHBondContact O-N 3.05Å |
| 135 | S | 88.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.7 | 168.9 | 59.8 | 0 | 0 | 0 | 0 | 108 | Q119 E123 F151 | Q119-S135 WeakPolarHBondContact CG-OG 3.45Å; Q119-S135 PolarHBondContact NE2-O 2.9Å; Q119-S135 PolarHBondContact NE2-OG 2.77Å; E123-S135 PolarHBondContact OE2-OG 3.24Å; S135-F151 CarbonylContact C-O 3.54Å |
| 136 | R | 88.3 | Confident | 85.4 | Confident | 148 Ų | 148 | 72.3 Ų | 72.3 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 119.6 | 173.5 | -178.1 | 178.5 | 175.8 | 177 | -0.2 | 110.9 | A150 F151 | R136-A150 CarbonylContact O-C 3.56Å; R136-A150 VanDerWaalsContact O-CA 3.26Å; R136-A150 WeakPolarHBondContact O-CA 3.45Å; R136-F151 PolarHBondContact N-O 3.44Å; R136-F151 PolarHBondContact O-N 2.81Å |
| 137 | V | 89.4 | Confident | 85.2 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.7 | 169.2 | 177 | 0 | 0 | 0 | 0 | 109.4 | Q119 V122 A150 | Q119-V137 HydrophobicContact CB-CB 4.47Å; Q119-V137 HydrophobicContact CB-CG2 3.94Å; V122-V137 HydrophobicContact CG2-CG2 4.13Å; V137-A150 HydrophobicContact CG2-CB 3.99Å |
| 138 | L | 87.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 116.6 | 173.4 | -91.8 | 62.4 | 0 | 0 | 0 | 108.9 | R147 V149 F151 | L138-R147 HydrophobicContact CB-CB 4.39Å; L138-R147 WeakPolarHBondContact O-CB 3.35Å; L138-R147 PolarHBondContact O-N 3.08Å; L138-V149 HydrophobicContact CB-CB 4.32Å; L138-V149 HydrophobicContact CD2-CG1 4.24Å; L138-V149 PolarHBondContact N-O 3.03Å; L138-F151 HydrophobicContact CD1-CD2 3.33Å; L138-F151 HydrophobicContact CD1-CE2 3.35Å; L138-F151 HydrophobicContact CD2-CE2 3.85Å; L138-F151 HydrophobicContact CG-CE2 4.24Å |
| 139 | V | 86.6 | Confident | 85.1 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 147.2 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | Q141 L145 | V139-Q141 PolarHBondContact O-N 3.18Å; V139-L145 CarbonylContact C-O 3.49Å; V139-L145 WeakPolarHBondContact CA-O 3.37Å |
| 140 | D | 84.2 | Confident | 85.3 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 124.8 | 170.3 | -171 | -72.3 | 0 | 0 | 0 | 108.7 | T142 T143 G144 L145 R147 | D140-T142 PolarHBondContact O-N 3.06Å; D140-T142 WeakPolarHBondContact OD1-CB 3.18Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å; D140-T143 WeakPolarHBondContact CB-OG1 3.29Å; D140-T143 PolarHBondContact OD1-N 2.88Å; D140-T143 VanDerWaalsContact OD1-N 3.14Å; D140-T143 PolarHBondContact OD1-OG1 3Å; D140-G144 WeakPolarHBondContact O-CA 3.34Å; D140-G144 PolarHBondContact O-N 3.35Å; D140-L145 WeakPolarHBondContact CB-O 3.39Å; D140-L145 PolarHBondContact N-O 3.06Å; D140-R147 HydrophobicContact CB-CG 4.09Å |
| 141 | Q | 78.2 | Confident | 85.6 | Confident | 192 Ų | 192 | 70.3 Ų | 70.3 | 90% | 0.897 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.9 | -174.7 | -72.8 | -179.1 | -20.4 | 0 | 0 | 113.2 | V139 | V139-Q141 PolarHBondContact O-N 3.18Š|
| 142 | T | 80.8 | Confident | 85.8 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 79% | 0.785 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -40.7 | -178.3 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | D140 | D140-T142 PolarHBondContact O-N 3.06Å; D140-T142 WeakPolarHBondContact OD1-CB 3.18Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å |
| 143 | T | 81.6 | Confident | 85.8 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 53% | 0.534 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -12.9 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | D140 L145 | D140-T143 WeakPolarHBondContact CB-OG1 3.29Å; D140-T143 PolarHBondContact OD1-N 2.88Å; D140-T143 VanDerWaalsContact OD1-N 3.14Å; D140-T143 PolarHBondContact OD1-OG1 3Å; T143-L145 PolarHBondContact O-N 3.37Å; T143-L145 VanDerWaalsContact O-N 3.13Å |
| 144 | G | 78.6 | Confident | 86 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | trans | 69.3 | -1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | D140 | D140-G144 WeakPolarHBondContact O-CA 3.34Å; D140-G144 PolarHBondContact O-N 3.35Å | ||
| 145 | L | 80.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | trans | -81.3 | 142.7 | -176.1 | -67.7 | 172.2 | 0 | 0 | 0 | 111.4 | V139 D140 T143 R147 | V139-L145 CarbonylContact C-O 3.49Å; V139-L145 WeakPolarHBondContact CA-O 3.37Å; D140-L145 WeakPolarHBondContact CB-O 3.39Å; D140-L145 PolarHBondContact N-O 3.06Å; T143-L145 PolarHBondContact O-N 3.37Å; T143-L145 VanDerWaalsContact O-N 3.13Å; L145-R147 PolarHBondContact O-N 3Å | ||
| 146 | S | 84.7 | Confident | 85.7 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 132.3 | 172.9 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | R115 G148 | R115-S146 PolarHBondContact NH1-O 3.29Å; R115-S146 WeakPolarHBondContact O-CB 3.46Å; R115-S146 PolarHBondContact O-OG 2.63Å; S146-G148 PolarHBondContact O-N 3.28Å |
| 147 | R | 85.3 | Confident | 85.6 | Confident | 153 Ų | 153 | 63.2 Ų | 63.2 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 3.3 | 174.5 | -65.1 | -177 | 63.1 | 136.4 | -0.2 | 112.8 | L138 D140 L145 V149 | L138-R147 HydrophobicContact CB-CB 4.39Å; L138-R147 WeakPolarHBondContact O-CB 3.35Å; L138-R147 PolarHBondContact O-N 3.08Å; D140-R147 HydrophobicContact CB-CG 4.09Å; L145-R147 PolarHBondContact O-N 3Å; R147-V149 PolarHBondContact O-N 3.21Å |
| 148 | G | 86.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.2 | 23.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S111 G112 L113 S146 | S111-G148 CarbonylContact C-O 3.6Å; S111-G148 WeakPolarHBondContact CA-O 3.19Å; G112-G148 PolarHBondContact N-O 3.48Å; L113-G148 PolarHBondContact N-O 3.23Å; L113-G148 WeakPolarHBondContact O-CA 3.5Å; S146-G148 PolarHBondContact O-N 3.28Å |
| 149 | V | 89.9 | Confident | 85.6 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135 | -178.7 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | Y109 I110 L138 R147 F151 | Y109-V149 HydrophobicContact CD2-CG1 4.03Å; Y109-V149 HydrophobicContact CE2-CG1 3.31Å; I110-V149 CarbonylContact O-C 3.53Å; I110-V149 VanDerWaalsContact O-CA 3.22Å; I110-V149 WeakPolarHBondContact O-CA 3.3Å; L138-V149 HydrophobicContact CB-CB 4.32Å; L138-V149 HydrophobicContact CD2-CG1 4.24Å; L138-V149 PolarHBondContact N-O 3.03Å; R147-V149 PolarHBondContact O-N 3.21Å; V149-F151 HydrophobicContact CG1-CE2 4.25Å |
| 150 | A | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I110 L113 V122 R136 V137 | I110-A150 HydrophobicContact CB-CB 4.36Å; I110-A150 HydrophobicContact CD1-CB 4.48Å; I110-A150 PolarHBondContact N-O 2.94Å; I110-A150 PolarHBondContact O-N 3.37Å; L113-A150 HydrophobicContact CD1-CB 3.46Å; L113-A150 VanDerWaalsContact CD1-CB 3.46Å; V122-A150 HydrophobicContact CG1-CB 4Å; R136-A150 CarbonylContact O-C 3.56Å; R136-A150 VanDerWaalsContact O-CA 3.26Å; R136-A150 WeakPolarHBondContact O-CA 3.45Å; V137-A150 HydrophobicContact CG2-CB 3.99Å |
| 151 | F | 92.1 | Very high | 86 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.3 | 168.7 | -67.8 | -93.3 | 0 | 0 | 0 | 108.6 | L108 Y109 S135 R136 L138 V149 A184 | L108-F151 VanDerWaalsContact O-CA 3.27Å; L108-F151 WeakPolarHBondContact O-CA 3.25Å; Y109-F151 HydrophobicContact CD2-CD1 4.37Å; Y109-F151 AromaticContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE2 4.25Å; Y109-F151 AromaticContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CE2-CZ 4.03Å; Y109-F151 HydrophobicContact CG-CE1 4.48Å; S135-F151 CarbonylContact C-O 3.54Å; R136-F151 PolarHBondContact N-O 3.44Å; R136-F151 PolarHBondContact O-N 2.81Å; L138-F151 HydrophobicContact CD1-CD2 3.33Å; L138-F151 HydrophobicContact CD1-CE2 3.35Å; L138-F151 HydrophobicContact CD2-CE2 3.85Å; L138-F151 HydrophobicContact CG-CE2 4.24Å; V149-F151 HydrophobicContact CG1-CE2 4.25Å; F151-A184 HydrophobicContact CD1-CB 3.94Å; F151-A184 HydrophobicContact CE1-CB 4.03Å |
| 152 | I | 91.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.4 | 172.6 | -66 | -179.7 | 0 | 0 | 0 | 107.9 | N107 L108 I110 V122 F126 I132 N134 F154 | N107-I152 CarbonylContact C-O 3.52Å; N107-I152 WeakPolarHBondContact CA-O 3.45Å; L108-I152 PolarHBondContact N-O 3.27Å; L108-I152 PolarHBondContact O-N 2.93Å; I110-I152 HydrophobicContact CD1-CB 4.11Å; I110-I152 HydrophobicContact CD1-CD1 3.35Å; I110-I152 HydrophobicContact CD1-CG1 3.57Å; V122-I152 HydrophobicContact CG1-CD1 3.6Å; V122-I152 HydrophobicContact CG1-CG1 4.12Å; F126-I152 HydrophobicContact CB-CD1 3.4Å; F126-I152 VanDerWaalsContact CB-CD1 3.4Å; F126-I152 HydrophobicContact CD1-CD1 3.89Å; F126-I152 HydrophobicContact CD2-CD1 3.58Å; F126-I152 HydrophobicContact CE2-CD1 4.3Å; F126-I152 HydrophobicContact CG-CD1 3.34Å; I132-I152 HydrophobicContact CD1-CD1 4.48Å; I132-I152 HydrophobicContact CD1-CG2 4.19Å; I132-I152 HydrophobicContact CG1-CG2 3.93Å; I132-I152 HydrophobicContact CG2-CG2 4Å; N134-I152 CarbonylContact O-C 3.55Å; N134-I152 WeakPolarHBondContact O-CA 3.3Å; I152-F154 HydrophobicContact CG2-CD2 3.93Å; I152-F154 HydrophobicContact CG2-CE2 3.71Å; I152-F154 HydrophobicContact CG2-CZ 4.12Å |
| 153 | R | 88 | Confident | 87 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.6 | 169.4 | -179.7 | 171.3 | -170.8 | -176.1 | 1 | 108.6 | A106 N107 I133 N134 | A106-R153 WeakPolarHBondContact O-CA 3.38Å; N107-R153 WeakPolarHBondContact OD1-CB 2.9Å; N107-R153 WeakPolarHBondContact OD1-CD 3.5Å; N107-R153 WeakPolarHBondContact OD1-CG 3.3Å; N107-R153 PolarHBondContact OD1-NE 2.93Å; I133-R153 HydrophobicContact CB-CB 4.45Å; I133-R153 HydrophobicContact CB-CG 4.17Å; I133-R153 WeakPolarHBondContact CB-O 3.26Å; I133-R153 PolarHBondContact N-O 2.95Å; N134-R153 HydrophobicContact CB-CB 4.05Å; N134-R153 PolarHBondContact N-O 3.24Å; N134-R153 PolarHBondContact O-N 3.05Å |
| 154 | F | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 165.5 | 173.2 | -80 | -77.5 | 0 | 0 | 0 | 112.1 | A106 L108 F126 F129 I132 I152 E159 A160 A163 | A106-F154 HydrophobicContact CB-CB 4.31Å; A106-F154 WeakPolarHBondContact CB-O 3.42Å; A106-F154 PolarHBondContact O-N 2.83Å; L108-F154 HydrophobicContact CD1-CD2 3.81Å; L108-F154 HydrophobicContact CD1-CE2 3.53Å; L108-F154 HydrophobicContact CG-CD2 4.18Å; L108-F154 HydrophobicContact CG-CE2 4.33Å; F126-F154 HydrophobicContact CB-CZ 3.99Å; F126-F154 HydrophobicContact CD1-CE2 4.31Å; F126-F154 HydrophobicContact CD1-CZ 4.19Å; F126-F154 WeakPolarHBondContact O-CE1 3.5Å; F126-F154 WeakPolarHBondContact O-CZ 3.48Å; F129-F154 HydrophobicContact CB-CE1 4.17Å; F129-F154 HydrophobicContact CB-CZ 4.13Å; I132-F154 HydrophobicContact CG1-CD1 4.25Å; I132-F154 HydrophobicContact CG1-CE1 3.84Å; I132-F154 HydrophobicContact CG1-CZ 4.34Å; I152-F154 HydrophobicContact CG2-CD2 3.93Å; I152-F154 HydrophobicContact CG2-CE2 3.71Å; I152-F154 HydrophobicContact CG2-CZ 4.12Å; F154-E159 HydrophobicContact CB-CB 4.26Å; F154-E159 HydrophobicContact CD1-CB 4.06Å; F154-E159 HydrophobicContact CG-CB 4.24Å; F154-A160 HydrophobicContact CB-CB 4.2Å; F154-A160 HydrophobicContact CD2-CB 3.9Å; F154-A160 HydrophobicContact CG-CB 4.38Å; F154-A163 HydrophobicContact CE2-CB 3.79Å; F154-A163 HydrophobicContact CZ-CB 3.99Å |
| 155 | D | 82.6 | Confident | 87.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -69.6 | -40.4 | 176.6 | -168.2 | 84.1 | 0 | 0 | 0 | 111 | R97 R131 I133 E159 | R97-D155 IonicContact CZ-OD1 2.71Å; R97-D155 IonicContact CZ-OD2 3.55Å; R97-D155 IonicContact NE-OD1 2.96Å; R97-D155 PolarHBondContact NE-OD1 2.74Å; R97-D155 VanDerWaalsContact NH1-CG 3.26Å; R97-D155 PolarHBondContact NH1-O 3.48Å; R97-D155 IonicContact NH1-OD1 3.51Å; R97-D155 PolarHBondContact NH1-OD1 3Å; R97-D155 IonicContact NH1-OD2 2.63Å; R97-D155 IonicContact NH2-OD1 3.62Å; R97-D155 PolarHBondContact NH2-OD1 3.07Å; R97-D155 IonicContact NH2-OD2 3.69Å; R97-D155 PolarHBondContact NH2-OD2 3.01Å; R131-D155 HydrophobicContact CB-CB 3.89Å; R131-D155 HydrophobicContact CG-CB 4.46Å; R131-D155 WeakPolarHBondContact O-CB 3.39Å; R131-D155 PolarHBondContact O-N 2.86Å; I133-D155 HydrophobicContact CD1-CB 4.26Å; I133-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I133-D155 HydrophobicContact CG1-CB 4.3Å; D155-E159 WeakPolarHBondContact CB-OE2 3.35Å; D155-E159 PolarHBondContact N-OE2 3.39Å |
| 156 | K | 84.8 | Confident | 88.1 | Confident | 105 Ų | 105 | 52.5 Ų | 52.5 | 46% | 0.457 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -127.1 | 152.2 | -179.9 | -58.7 | 172.7 | -172.9 | 165 | 0 | 111.6 | E159 A160 | K156-E159 HydrophobicContact CB-CG 4.02Å; K156-E159 PolarHBondContact N-OE2 2.94Å; K156-E159 VanDerWaalsContact N-OE2 3.13Å; K156-A160 PolarHBondContact O-N 2.64Å |
| 157 | R | 85.5 | Confident | 88.1 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -40 | 173.2 | -177.5 | -177.3 | 176.4 | 120.7 | 2.6 | 112.5 | V102 D105 E159 A160 E161 F183 | V102-R157 WeakPolarHBondContact O-CB 3.45Å; V102-R157 PolarHBondContact O-N 3.48Å; D105-R157 IonicContact OD2-NH1 3.76Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-E159 PolarHBondContact O-N 3.04Å; R157-A160 CarbonylContact O-C 3.59Å; R157-A160 WeakPolarHBondContact O-CA 3.41Å; R157-A160 VanDerWaalsContact O-CB 3.26Å; R157-A160 WeakPolarHBondContact O-CB 3.2Å; R157-A160 PolarHBondContact O-N 3.13Å; R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 IonicContact CZ-OE1 3.79Å; R157-E161 IonicContact NE-OE1 3.96Å; R157-E161 PolarHBondContact NE-OE1 2.94Å; R157-E161 IonicContact NH2-OE1 3.69Å; R157-E161 PolarHBondContact O-N 2.82Å; R157-F183 HydrophobicContact CG-CE1 4.26Å; R157-F183 HydrophobicContact CG-CZ 4.33Å |
| 158 | S | 87.4 | Confident | 88.1 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.9 | -42.3 | -179.6 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | A160 E161 E162 | S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.2Å; S158-E161 WeakPolarHBondContact O-CB 3.49Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-E161 VanDerWaalsContact O-N 3.13Å; S158-E162 PolarHBondContact O-N 2.89Å |
| 159 | E | 89.3 | Confident | 87.9 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 174.3 | -62.1 | 168.3 | 172.7 | 0 | 0 | 111.4 | F129 F154 D155 K156 R157 E162 A163 | F129-E159 WeakPolarHBondContact O-CB 3.42Å; F154-E159 HydrophobicContact CB-CB 4.26Å; F154-E159 HydrophobicContact CD1-CB 4.06Å; F154-E159 HydrophobicContact CG-CB 4.24Å; D155-E159 WeakPolarHBondContact CB-OE2 3.35Å; D155-E159 PolarHBondContact N-OE2 3.39Å; K156-E159 HydrophobicContact CB-CG 4.02Å; K156-E159 PolarHBondContact N-OE2 2.94Å; K156-E159 VanDerWaalsContact N-OE2 3.13Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-E159 PolarHBondContact O-N 3.04Å; E159-E162 PolarHBondContact O-N 3.32Å; E159-A163 WeakPolarHBondContact O-CB 3.3Å; E159-A163 PolarHBondContact O-N 3.47Å |
| 160 | A | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L108 F154 K156 R157 S158 A163 I164 F183 | L108-A160 HydrophobicContact CD1-CB 4.21Å; L108-A160 HydrophobicContact CD2-CB 3.82Å; L108-A160 HydrophobicContact CG-CB 3.99Å; F154-A160 HydrophobicContact CB-CB 4.2Å; F154-A160 HydrophobicContact CD2-CB 3.9Å; F154-A160 HydrophobicContact CG-CB 4.38Å; K156-A160 PolarHBondContact O-N 2.64Å; R157-A160 CarbonylContact O-C 3.59Å; R157-A160 WeakPolarHBondContact O-CA 3.41Å; R157-A160 VanDerWaalsContact O-CB 3.26Å; R157-A160 WeakPolarHBondContact O-CB 3.2Å; R157-A160 PolarHBondContact O-N 3.13Å; S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.2Å; A160-A163 PolarHBondContact O-N 3.36Å; A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.09Å; A160-I164 PolarHBondContact O-N 2.83Å; A160-F183 HydrophobicContact CB-CE1 4.25Å |
| 161 | E | 90 | Very high | 86.9 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.3 | -71.8 | 172.6 | 164.3 | 0 | 0 | 111.8 | R157 S158 I164 T165 F183 | R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 IonicContact CZ-OE1 3.79Å; R157-E161 IonicContact NE-OE1 3.96Å; R157-E161 PolarHBondContact NE-OE1 2.94Å; R157-E161 IonicContact NH2-OE1 3.69Å; R157-E161 PolarHBondContact O-N 2.82Å; S158-E161 WeakPolarHBondContact O-CB 3.49Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-E161 VanDerWaalsContact O-N 3.13Å; E161-I164 PolarHBondContact O-N 3.09Å; E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 2.61Å; E161-T165 PolarHBondContact O-OG1 3.14Å; E161-F183 HydrophobicContact CG-CE1 4.49Å; E161-F183 HydrophobicContact CG-CE2 4.28Å; E161-F183 HydrophobicContact CG-CZ 3.55Å |
| 162 | E | 90.1 | Very high | 85.7 | Confident | 108 Ų | 108 | 57.7 Ų | 57.7 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 173.3 | -73.3 | -171.8 | 88.1 | 0 | 0 | 111.5 | F129 S158 E159 I164 T165 N166 | F129-E162 HydrophobicContact CD1-CB 4.43Å; S158-E162 PolarHBondContact O-N 2.89Å; E159-E162 PolarHBondContact O-N 3.32Å; E162-I164 PolarHBondContact O-N 3.26Å; E162-T165 PolarHBondContact O-N 2.8Å; E162-N166 WeakPolarHBondContact O-CB 3.23Å; E162-N166 PolarHBondContact O-N 2.82Å; E162-N166 PolarHBondContact O-ND2 2.78Å |
| 163 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L108 F126 F129 F154 E159 A160 F167 | L108-A163 HydrophobicContact CD1-CB 3.8Å; F126-A163 HydrophobicContact CD1-CB 4.1Å; F126-A163 HydrophobicContact CE1-CB 4.33Å; F129-A163 HydrophobicContact CB-CB 4Å; F129-A163 HydrophobicContact CD2-CB 3.94Å; F129-A163 HydrophobicContact CG-CB 3.88Å; F154-A163 HydrophobicContact CE2-CB 3.79Å; F154-A163 HydrophobicContact CZ-CB 3.99Å; E159-A163 WeakPolarHBondContact O-CB 3.3Å; E159-A163 PolarHBondContact O-N 3.47Å; A160-A163 PolarHBondContact O-N 3.36Å; A163-F167 WeakPolarHBondContact O-CB 3.41Å; A163-F167 PolarHBondContact O-N 3.05Å |
| 164 | I | 90.1 | Very high | 83.2 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 173.8 | -70.2 | 162.2 | 0 | 0 | 0 | 110.1 | L108 A160 E161 E162 N166 N168 V181 F183 | L108-I164 HydrophobicContact CD1-CG1 4.33Å; L108-I164 HydrophobicContact CD2-CD1 3.48Å; L108-I164 VanDerWaalsContact CD2-CD1 3.48Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å; A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.09Å; A160-I164 PolarHBondContact O-N 2.83Å; E161-I164 PolarHBondContact O-N 3.09Å; E162-I164 PolarHBondContact O-N 3.26Å; I164-N166 VanDerWaalsContact C-N 3.34Å; I164-N166 PolarHBondContact O-N 3.02Å; I164-N168 HydrophobicContact CG2-CB 4.38Å; I164-N168 WeakPolarHBondContact O-CB 3.37Å; I164-N168 PolarHBondContact O-N 2.96Å; I164-V181 HydrophobicContact CB-CG1 4.48Å; I164-V181 HydrophobicContact CG1-CB 4.47Å; I164-V181 HydrophobicContact CG1-CG1 3.82Å; I164-F183 HydrophobicContact CD1-CD1 4.11Å; I164-F183 HydrophobicContact CD1-CD2 3.71Å; I164-F183 HydrophobicContact CD1-CE1 4.01Å; I164-F183 HydrophobicContact CD1-CE2 3.59Å; I164-F183 HydrophobicContact CD1-CG 3.99Å; I164-F183 HydrophobicContact CD1-CZ 3.77Å |
| 165 | T | 88.4 | Confident | 82.1 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 70% | 0.699 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | -173.8 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | E161 E162 | E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 2.61Å; E161-T165 PolarHBondContact O-OG1 3.14Å; E162-T165 PolarHBondContact O-N 2.8Å |
| 166 | N | 85.8 | Confident | 81.3 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -87.8 | -32.5 | -176 | -73.6 | -85.7 | 0 | 0 | 0 | 113.9 | F129 E162 I164 | F129-N166 HydrophobicContact CE1-CB 3.63Å; F129-N166 HydrophobicContact CZ-CB 3.82Å; E162-N166 WeakPolarHBondContact O-CB 3.23Å; E162-N166 PolarHBondContact O-N 2.82Å; E162-N166 PolarHBondContact O-ND2 2.78Å; I164-N166 VanDerWaalsContact C-N 3.34Å; I164-N166 PolarHBondContact O-N 3.02Å |
| 167 | F | 84.3 | Confident | 80.6 | Confident | 19 Ų | 19 | 70 Ų | 70 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -106.9 | -14.5 | -173.9 | -95.4 | -98.7 | 0 | 0 | 0 | 115 | M125 F126 F129 A163 G169 H170 V181 | M125-F167 HydrophobicContact CE-CE1 4.45Å; M125-F167 HydrophobicContact CG-CD1 4.24Å; M125-F167 HydrophobicContact CG-CE1 3.39Å; M125-F167 HydrophobicContact CG-CZ 3.59Å; M125-F167 HydrophobicContact SD-CD1 3.98Å; M125-F167 HydrophobicContact SD-CE1 3.36Å; M125-F167 WeakPolarHBondContact SD-CE1 3.46Å; M125-F167 HydrophobicContact SD-CZ 4.19Å; F126-F167 HydrophobicContact CE1-CB 4.23Å; F126-F167 HydrophobicContact CZ-CB 4.23Å; F126-F167 HydrophobicContact CZ-CD1 4.33Å; F126-F167 HydrophobicContact CZ-CG 4.38Å; F129-F167 HydrophobicContact CD2-CD2 4.4Å; F129-F167 HydrophobicContact CE1-CD2 4.4Å; F129-F167 AromaticContact CE2-CD2 3.16Å; F129-F167 HydrophobicContact CE2-CD2 3.16Å; F129-F167 AromaticContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CG 4.24Å; F129-F167 HydrophobicContact CE2-CZ 4.29Å; F129-F167 AromaticContact CZ-CD2 3.18Å; F129-F167 HydrophobicContact CZ-CD2 3.18Å; F129-F167 AromaticContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CG 4.47Å; A163-F167 WeakPolarHBondContact O-CB 3.41Å; A163-F167 PolarHBondContact O-N 3.05Å; F167-G169 PolarHBondContact O-N 3.42Å; F167-H170 HydrophobicContact CD1-CB 4.21Å; F167-H170 WeakPolarHBondContact O-CB 3.23Å; F167-H170 PolarHBondContact O-N 2.98Å; F167-H170 VanDerWaalsContact O-N 3.11Å; F167-V181 HydrophobicContact CB-CG2 3.9Å |
| 168 | N | 86.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 118.6 | 174.4 | -173.7 | 53.6 | 0 | 0 | 0 | 110.4 | I164 T180 V181 | I164-N168 HydrophobicContact CG2-CB 4.38Å; I164-N168 WeakPolarHBondContact O-CB 3.37Å; I164-N168 PolarHBondContact O-N 2.96Å; N168-T180 WeakPolarHBondContact OD1-CA 3.32Å; N168-V181 HydrophobicContact CB-CB 4.23Å; N168-V181 PolarHBondContact OD1-N 3.26Å; N168-V181 PolarHBondContact OD1-O 3.15Å |
| 169 | G | 80.8 | Confident | 80.6 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -4.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F167 I179 | F167-G169 PolarHBondContact O-N 3.42Å; G169-I179 WeakPolarHBondContact CA-O 3.49Å; G169-I179 PolarHBondContact N-O 2.87Å |
| 170 | H | 81.4 | Confident | 80.6 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | trans | -72.5 | 134.2 | -179.5 | -170.2 | -82.6 | 0 | 0 | 0 | 111.4 | F167 P172 I179 | F167-H170 HydrophobicContact CD1-CB 4.21Å; F167-H170 WeakPolarHBondContact O-CB 3.23Å; F167-H170 PolarHBondContact O-N 2.98Å; F167-H170 VanDerWaalsContact O-N 3.11Å; H170-P172 VanDerWaalsContact O-CD 3.28Å; H170-P172 WeakPolarHBondContact O-CD 3.34Å; H170-I179 WeakPolarHBondContact O-CB 3.49Å; H170-I179 PolarHBondContact O-N 2.83Å | ||
| 171 | K | 78.3 | Confident | 80.7 | Confident | 139 Ų | 139 | 67.3 Ų | 67.3 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | trans | -96.6 | 105.2 | 176.9 | -70.2 | -176.7 | -178.4 | -177.4 | 0 | 110 | P178 | K171-P178 HydrophobicContact CG-CB 4.03Š| ||
| 172 | P | 68.3 | Low | 80.7 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | trans | -68.2 | 149.9 | 177.7 | 29.5 | -35.8 | 0 | 0 | 0 | 110.2 | P114 H170 G174 S175 I179 | P114-P172 HydrophobicContact CG-CB 4.31Å; P114-P172 HydrophobicContact CG-CG 3.89Å; H170-P172 VanDerWaalsContact O-CD 3.28Å; H170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-G174 PolarHBondContact O-N 3.16Å; P172-G174 VanDerWaalsContact O-N 3.13Å; P172-S175 WeakPolarHBondContact CD-OG 3.48Å; P172-S175 WeakPolarHBondContact CG-OG 3.48Å; P172-S175 PolarHBondContact O-N 3.13Å; P172-S175 PolarHBondContact O-OG 2.96Å; P172-I179 HydrophobicContact CB-CD1 3.98Å; P172-I179 HydrophobicContact CG-CD1 3.56Å; P172-I179 HydrophobicContact CG-CG1 3.77Å | ||
| 173 | P | 63.3 | Low | 80.7 | Confident | 125 Ų | 125 | 67 Ų | 67 | 81% | 0.812 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 119.3 | 176.9 | 24.3 | -31.7 | 0 | 0 | 0 | 109.6 | ||
| 174 | G | 63.7 | Low | 80.4 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 83% | 0.825 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.3 | -0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P172 | P172-G174 PolarHBondContact O-N 3.16Å; P172-G174 VanDerWaalsContact O-N 3.13Å |
| 175 | S | 65.3 | Low | 79.6 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | trans | -111 | 144.8 | 166.9 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | P172 E177 | P172-S175 WeakPolarHBondContact CD-OG 3.48Å; P172-S175 WeakPolarHBondContact CG-OG 3.48Å; P172-S175 PolarHBondContact O-N 3.13Å; P172-S175 PolarHBondContact O-OG 2.96Å; S175-E177 PolarHBondContact OG-O 2.78Å | ||
| 176 | S | 64.6 | Low | 78.3 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 83% | 0.832 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -80.9 | -23 | 169.9 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 177 | E | 71.1 | Confident | 76.7 | Confident | 137 Ų | 137 | 66.7 Ų | 66.7 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -100.1 | 138.4 | -176.2 | -62 | -170.5 | 122.9 | 0 | 0 | 111.6 | S175 | S175-E177 PolarHBondContact OG-O 2.78Š|
| 178 | P | 84.2 | Confident | 75.1 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 142.5 | 172.4 | 29.7 | -33.1 | 0 | 0 | 0 | 110.8 | K171 T180 | K171-P178 HydrophobicContact CG-CB 4.03Å; P178-T180 PolarHBondContact O-N 3.37Å |
| 179 | I | 88.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 134.2 | 171.9 | -62.4 | 163.2 | 0 | 0 | 0 | 108.3 | I110 S111 L113 M125 G169 H170 P172 V181 | I110-I179 HydrophobicContact CG2-CG2 3.43Å; I110-I179 VanDerWaalsContact CG2-CG2 3.43Å; S111-I179 CarbonylContact O-C 3.5Å; S111-I179 VanDerWaalsContact O-CA 3.31Å; S111-I179 WeakPolarHBondContact O-CA 3.45Å; L113-I179 HydrophobicContact CD2-CD1 3.8Å; L113-I179 HydrophobicContact CD2-CG1 3.97Å; L113-I179 HydrophobicContact CD2-CG2 4.28Å; M125-I179 HydrophobicContact SD-CD1 4.37Å; G169-I179 WeakPolarHBondContact CA-O 3.49Å; G169-I179 PolarHBondContact N-O 2.87Å; H170-I179 WeakPolarHBondContact O-CB 3.49Å; H170-I179 PolarHBondContact O-N 2.83Å; P172-I179 HydrophobicContact CB-CD1 3.98Å; P172-I179 HydrophobicContact CG-CD1 3.56Å; P172-I179 HydrophobicContact CG-CG1 3.77Å; I179-V181 HydrophobicContact CG2-CG2 3.8Å |
| 180 | T | 88.8 | Confident | 71.6 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.7 | 167.7 | -55.6 | 0 | 0 | 0 | 0 | 108.7 | I110 S111 N168 P178 | I110-T180 CarbonylContact C-O 3.52Å; I110-T180 VanDerWaalsContact CA-O 3.28Å; I110-T180 WeakPolarHBondContact CA-O 3.49Å; S111-T180 PolarHBondContact N-O 2.91Å; S111-T180 PolarHBondContact O-N 2.75Å; N168-T180 WeakPolarHBondContact OD1-CA 3.32Å; P178-T180 PolarHBondContact O-N 3.37Å |
| 181 | V | 91.4 | Very high | 69.9 | Low | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.012 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.4 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | L108 I110 F126 I164 F167 N168 I179 | L108-V181 HydrophobicContact CB-CG1 4.4Å; L108-V181 HydrophobicContact CD1-CG1 3.77Å; I110-V181 HydrophobicContact CG1-CG1 4.12Å; I110-V181 HydrophobicContact CG1-CG2 4.34Å; I110-V181 HydrophobicContact CG2-CG2 4.35Å; F126-V181 HydrophobicContact CE1-CG1 4.13Å; F126-V181 HydrophobicContact CE1-CG2 4.08Å; F126-V181 HydrophobicContact CZ-CG2 3.87Å; I164-V181 HydrophobicContact CB-CG1 4.48Å; I164-V181 HydrophobicContact CG1-CB 4.47Å; I164-V181 HydrophobicContact CG1-CG1 3.82Å; F167-V181 HydrophobicContact CB-CG2 3.9Å; N168-V181 HydrophobicContact CB-CB 4.23Å; N168-V181 PolarHBondContact OD1-N 3.26Å; N168-V181 PolarHBondContact OD1-O 3.15Å; I179-V181 HydrophobicContact CG2-CG2 3.8Å |
| 182 | K | 89.9 | Confident | 68.1 | Low | 108 Ų | 108 | 79.5 Ų | 79.5 | 47% | 0.47 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 164.6 | 179.4 | 62.5 | -177.5 | 176.6 | -176.6 | 0 | 110.9 | L108 Y109 A184 | L108-K182 CarbonylContact C-O 3.57Å; L108-K182 WeakPolarHBondContact CA-O 3.41Å; Y109-K182 HydrophobicContact CD1-CD 4.21Å; Y109-K182 HydrophobicContact CD1-CG 3.94Å; Y109-K182 HydrophobicContact CG-CG 4.46Å; Y109-K182 PolarHBondContact N-O 3.37Å; Y109-K182 PolarHBondContact O-N 3.05Å; K182-A184 PolarHBondContact O-N 2.82Å |
| 183 | F | 89.9 | Confident | 66.8 | Low | 73 Ų | 73 | 83.6 Ų | 83.6 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132.8 | 169.7 | -69.7 | -70.1 | 0 | 0 | 0 | 111.1 | D105 N107 L108 R157 A160 E161 I164 | D105-F183 WeakPolarHBondContact O-CD1 3.23Å; D105-F183 WeakPolarHBondContact O-CE1 3.43Å; N107-F183 WeakPolarHBondContact O-CA 3.41Å; L108-F183 HydrophobicContact CD2-CD1 3.98Å; L108-F183 HydrophobicContact CD2-CE1 4.27Å; R157-F183 HydrophobicContact CG-CE1 4.26Å; R157-F183 HydrophobicContact CG-CZ 4.33Å; A160-F183 HydrophobicContact CB-CE1 4.25Å; E161-F183 HydrophobicContact CG-CE1 4.49Å; E161-F183 HydrophobicContact CG-CE2 4.28Å; E161-F183 HydrophobicContact CG-CZ 3.55Å; I164-F183 HydrophobicContact CD1-CD1 4.11Å; I164-F183 HydrophobicContact CD1-CD2 3.71Å; I164-F183 HydrophobicContact CD1-CE1 4.01Å; I164-F183 HydrophobicContact CD1-CE2 3.59Å; I164-F183 HydrophobicContact CD1-CG 3.99Å; I164-F183 HydrophobicContact CD1-CZ 3.77Å |
| 184 | A | 83.9 | Confident | 65.8 | Low | 15 Ų | 15 | 82.4 Ų | 82.4 | 12% | 0.124 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N107 F151 K182 N186 | N107-A184 HydrophobicContact CB-CB 3.87Å; N107-A184 PolarHBondContact O-N 2.88Å; F151-A184 HydrophobicContact CD1-CB 3.94Å; F151-A184 HydrophobicContact CE1-CB 4.03Å; K182-A184 PolarHBondContact O-N 2.82Å; A184-N186 PolarHBondContact O-N 2.97Å |
| 185 | A | 74.1 | Confident | 64.9 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -68 | 124.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | P187 | A185-P187 WeakPolarHBondContact O-CD 3.4Š|
| 186 | N | 59.8 | Low | 63.7 | Low | 39 Ų | 39 | 91.5 Ų | 91.5 | 21% | 0.209 | 51% | 0.513 | C | S | . | . | trans | -72.7 | 114.4 | 173.9 | -78.5 | -19.9 | 0 | 0 | 0 | 108.9 | N107 A184 N188 Q189 | N107-N186 PolarHBondContact ND2-OD1 2.76Å; A184-N186 PolarHBondContact O-N 2.97Å; N186-N188 PolarHBondContact O-N 3.5Å; N186-Q189 HydrophobicContact CB-CB 4.13Å; N186-Q189 HydrophobicContact CB-CG 4.27Å; N186-Q189 PolarHBondContact O-N 3.22Å | ||
| 187 | P | 53.6 | Low | 62.3 | Low | 108 Ų | 108 | 90.7 Ų | 90.7 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.6 | 179.2 | 21.5 | -30.9 | 0 | 0 | 0 | 112.6 | A185 | A185-P187 WeakPolarHBondContact O-CD 3.4Š|
| 188 | N | 49.7 | Very low | 60.7 | Low | 116 Ų | 116 | 93.3 Ų | 93.3 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -19.9 | 175.9 | -75.8 | 12.2 | 0 | 0 | 0 | 114.4 | N186 | N186-N188 PolarHBondContact O-N 3.5Š|
| 189 | Q | 51 | Low | 58.4 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -23.5 | 175.4 | -88.9 | -178.4 | -4.8 | 0 | 0 | 112.6 | N186 K191 N192 | N186-Q189 HydrophobicContact CB-CB 4.13Å; N186-Q189 HydrophobicContact CB-CG 4.27Å; N186-Q189 PolarHBondContact O-N 3.22Å; Q189-K191 PolarHBondContact O-N 2.86Å; Q189-N192 PolarHBondContact O-N 3.33Å; Q189-N192 VanDerWaalsContact O-N 3.15Å |
| 190 | N | 41.9 | Very low | 55.8 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 0 | -170.5 | -88.7 | 8.3 | 0 | 0 | 0 | 116 | N192 | N190-N192 VanDerWaalsContact C-N 3.28Š|
| 191 | K | 47.1 | Very low | 53.1 | Low | 178 Ų | 178 | 108.4 Ų | 108.4 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -13.6 | 169.1 | -67.7 | -175.2 | -177.5 | 174.7 | 0 | 113.5 | Q189 | Q189-K191 PolarHBondContact O-N 2.86Š|
| 192 | N | 40.7 | Very low | 50.2 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -13.3 | -174.2 | -83 | -76.6 | 0 | 0 | 0 | 116.5 | Q189 N190 | Q189-N192 PolarHBondContact O-N 3.33Å; Q189-N192 VanDerWaalsContact O-N 3.15Å; N190-N192 VanDerWaalsContact C-N 3.28Å |
| 193 | V | 40.5 | Very low | 47.7 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -98.7 | -2 | -167.8 | -168.1 | 0 | 0 | 0 | 0 | 114.2 | L195 | V193-L195 PolarHBondContact O-N 3.29Š|
| 194 | A | 42.4 | Very low | 45 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -74.5 | -7.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 195 | L | 45.3 | Very low | 42.5 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -103.1 | -7 | -170.9 | -139.1 | 112.6 | 0 | 0 | 0 | 115.6 | V193 | V193-L195 PolarHBondContact O-N 3.29Š|
| 196 | L | 39 | Very low | 40.5 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -122 | -2.1 | -170.7 | -152.5 | 64.2 | 0 | 0 | 0 | 116.1 | Q198 | L196-Q198 PolarHBondContact O-N 3.46Š|
| 197 | S | 35.6 | Very low | 39 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 2.8 | -178.8 | -172.4 | 0 | 0 | 0 | 0 | 115 | ||
| 198 | Q | 36.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 5.4 | -174.3 | -77.6 | -171.8 | -40.3 | 0 | 0 | 115.9 | L196 | L196-Q198 PolarHBondContact O-N 3.46Š|
| 199 | L | 35.9 | Very low | 37 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -104.2 | -1.3 | -174.6 | -81.6 | 160.8 | 0 | 0 | 0 | 116.5 | ||
| 200 | C | 34.7 | Very low | 37 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | -136.3 | 55.7 | -169.4 | -51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 201 | H | 32.4 | Very low | 36.7 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 88.7 | 161.4 | -73.9 | 96.4 | 0 | 0 | 0 | 111.4 | ||||
| 202 | S | 30.7 | Very low | 36 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -107.5 | 118.8 | 162.4 | -49.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 203 | P | 36.7 | Very low | 35.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 125.2 | 161.1 | 31.5 | -23.6 | 0 | 0 | 0 | 109.6 | ||||
| 204 | A | 32.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -64.4 | 136.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 205 | R | 31.3 | Very low | 34.6 | Very low | 252 Ų | 252 | 148.2 Ų | 148.2 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | trans | -136.9 | 143.9 | 152.9 | -81 | -154.7 | 174.7 | -162.8 | 1.2 | 111.5 | ||||
| 206 | R | 32 | Very low | 34 | Very low | 244 Ų | 244 | 148.2 Ų | 148.2 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 145.4 | -167.7 | -65 | 176.9 | 170 | -170.1 | -3.8 | 112.7 | ||||
| 207 | F | 29.8 | Very low | 33.6 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 97% | 0.969 | 82% | 0.817 | S | S | * | * | trans | 44.5 | 127.1 | 139.4 | -118 | -97.4 | 0 | 0 | 0 | 122.6 | ||||
| 208 | G | 29.5 | Very low | 33.6 | Very low | 74 Ų | 74 | 156.6 Ų | 156.6 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 144.2 | 95.9 | 140 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 209 | G | 30 | Very low | 33.2 | Very low | 79 Ų | 79 | 159.1 Ų | 159.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 94.9 | 151.6 | 139 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 210 | P | 52.8 | Low | 32.7 | Very low | 120 Ų | 120 | 161.5 Ų | 161.5 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | -113.3 | -167.7 | -156.7 | 33.1 | -13.3 | 0 | 0 | 0 | 114.3 | ||||
| 211 | V | 35.2 | Very low | 32.9 | Very low | 135 Ų | 135 | 161.5 Ų | 161.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 94.8 | 130 | 167 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 212 | H | 31.8 | Very low | 33.3 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | cis | -177.8 | 153.9 | 10.5 | 169.4 | -166.5 | 0 | 0 | 0 | 109.6 | ||||
| 213 | H | 35 | Very low | 33.3 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | trans | -41.3 | 147.7 | 173 | -89.6 | 121.7 | 0 | 0 | 0 | 116.2 | ||||
| 214 | Q | 28.5 | Very low | 33 | Very low | 197 Ų | 197 | 159.9 Ų | 159.9 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | -168.1 | 152.5 | 105.7 | -146 | 165.6 | 33.2 | 0 | 0 | 113.3 | |||||
| 215 | A | 30.4 | Very low | 32.9 | Very low | 75 Ų | 75 | 160.6 Ų | 160.6 | 62% | 0.62 | 83% | 0.827 | S | S | * | * | trans | -100.1 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 216 | Q | 33 | Very low | 32.6 | Very low | 162 Ų | 162 | 156 Ų | 156 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | trans | 97.8 | 110.7 | 159.2 | -55.5 | -70 | -36.2 | 0 | 0 | 116.9 | ||||
| 217 | R | 30.7 | Very low | 32.4 | Very low | 225 Ų | 225 | 152.5 Ų | 152.5 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | 174.5 | 139.1 | 90.3 | -85.7 | -156.8 | 177.2 | -165.3 | -0.3 | 113 | |||||
| 218 | F | 35 | Very low | 32.5 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -70.7 | 148.5 | 166.7 | -72.9 | -98 | 0 | 0 | 0 | 112.2 | ||||
| 219 | R | 29 | Very low | 32.4 | Very low | 245 Ų | 245 | 152 Ų | 152 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -168.7 | 144.1 | 133.5 | -104.2 | 176.4 | -153.7 | -144.9 | 6.2 | 113 | ||||
| 220 | F | 26.4 | Very low | 32.2 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 161.5 | -176 | -107.7 | -104.4 | 0 | 0 | 0 | 114.2 | ||||
| 221 | S | 38.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -51.5 | 168.4 | 176.1 | -32.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 222 | P | 41 | Very low | 30.9 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -159.2 | 175.5 | 75.6 | 38.2 | -14 | 0 | 0 | 0 | 118.7 | |||||
| 223 | M | 30.8 | Very low | 30.9 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -7.8 | 143.6 | 168.1 | -72.1 | 178.3 | 146 | 0 | 0 | 123 | ||||
| 224 | G | 29.6 | Very low | 30.7 | Very low | 80 Ų | 80 | 146.6 Ų | 146.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -150.5 | 108.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 225 | V | 30.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -85.1 | 144.1 | 167.1 | -74.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 226 | D | 26.6 | Very low | 31 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 169.2 | 125.3 | 131.5 | -78.9 | -33.3 | 0 | 0 | 0 | 113.4 | ||||
| 227 | H | 26.7 | Very low | 31.1 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | 74.2 | 94.2 | 136.6 | -136 | -106.4 | 0 | 0 | 0 | 123.3 | ||||
| 228 | M | 32.7 | Very low | 31.4 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | 31.9 | 109.2 | 121.4 | -154.3 | 147.9 | 175.3 | 0 | 0 | 120.7 | |||||
| 229 | S | 27.4 | Very low | 31.5 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | 161.5 | 134.9 | 122.8 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 230 | G | 24.3 | Very low | 32 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 128.5 | 95.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 231 | L | 30.9 | Very low | 33 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | 50.2 | 126.1 | 129.8 | -67.4 | 160.4 | 0 | 0 | 0 | 120.6 | |||||
| 232 | S | 31.2 | Very low | 34.3 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 72.1 | 109.5 | 139 | -53.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 233 | G | 32 | Very low | 36.1 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 150 | 62.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | V | 30.2 | Very low | 38.8 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -98.7 | 95.6 | 157.5 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | V236 | V234-V236 PolarHBondContact O-N 2.64Š| ||
| 235 | N | 27.7 | Very low | 41.6 | Very low | 154 Ų | 154 | 114.9 Ų | 114.9 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -67.5 | 118.8 | 171.6 | -156.9 | 11.4 | 0 | 0 | 0 | 108.3 | P237 | N235-P237 WeakPolarHBondContact O-CD 3.33Š| ||
| 236 | V | 36.5 | Very low | 44.7 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -93.7 | 119.6 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | V234 | V234-V236 PolarHBondContact O-N 2.64Š| ||
| 237 | P | 35.7 | Very low | 47.9 | Very low | 128 Ų | 128 | 104.7 Ų | 104.7 | 83% | 0.831 | 66% | 0.659 | S | S | * | * | trans | -108.8 | 108.3 | 150.8 | 32.2 | -21.5 | 0 | 0 | 0 | 106.9 | N235 | N235-P237 WeakPolarHBondContact O-CD 3.33Š| ||
| 238 | G | 36.2 | Very low | 51.1 | Low | 69 Ų | 69 | 96.5 Ų | 96.5 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | cis | 100.5 | 52.8 | 45.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 239 | N | 39 | Very low | 53.9 | Low | 166 Ų | 166 | 94 Ų | 94 | 89% | 0.888 | 60% | 0.604 | S | S | * | * | trans | -172.3 | 82.6 | 150 | -157 | 40.5 | 0 | 0 | 0 | 110.7 | ||||
| 240 | A | 38.4 | Very low | 57 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | trans | -128.7 | 129.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | S242 | A240-S242 PolarHBondContact O-N 3.31Å; A240-S242 VanDerWaalsContact O-N 3.13Å | ||
| 241 | S | 47.4 | Very low | 60.2 | Low | 115 Ų | 115 | 87.5 Ų | 87.5 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | trans | -41.2 | 121.1 | 153 | -27.9 | 0 | 0 | 0 | 0 | 106.3 | G243 | S241-G243 PolarHBondContact O-N 3.46Š| ||
| 242 | S | 66.5 | Low | 62.8 | Low | 121 Ų | 121 | 80.7 Ų | 80.7 | 85% | 0.846 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -57.1 | 68 | -160.4 | 53 | 0 | 0 | 0 | 0 | 115.4 | A240 | A240-S242 PolarHBondContact O-N 3.31Å; A240-S242 VanDerWaalsContact O-N 3.13Å |
| 243 | G | 77.3 | Confident | 65.4 | Low | 15 Ų | 15 | 80.1 Ų | 80.1 | 16% | 0.155 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -173.4 | 162.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S241 M292 | S241-G243 PolarHBondContact O-N 3.46Å; G243-M292 CarbonylContact C-O 3.5Å; G243-M292 WeakPolarHBondContact CA-O 3.37Å |
| 244 | W | 87.3 | Confident | 67.9 | Low | 118 Ų | 118 | 82.3 Ų | 82.3 | 45% | 0.447 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.9 | -175.2 | -60.2 | 91.3 | 0 | 0 | 0 | 109.8 | T291 M292 Y295 A298 F319 | W244-T291 WeakPolarHBondContact O-CA 3.4Å; W244-M292 PolarHBondContact N-O 2.8Å; W244-M292 PolarHBondContact O-N 2.89Å; W244-Y295 AromaticContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CG 4.24Å; W244-Y295 VanDerWaalsContact CE2-CB 3.46Å; W244-Y295 AromaticContact CE2-CD2 3.93Å; W244-Y295 AromaticContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CD2 3.43Å; W244-Y295 VanDerWaalsContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CE2 4.11Å; W244-Y295 HydrophobicContact CE3-CG 4.39Å; W244-Y295 HydrophobicContact CG-CD2 4.34Å; W244-Y295 AromaticContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CE2 4.45Å; W244-Y295 HydrophobicContact CH2-CG 4.22Å; W244-Y295 HydrophobicContact CZ2-CD2 4.01Å; W244-Y295 HydrophobicContact CZ2-CG 4.11Å; W244-Y295 AromaticContact CZ3-CD2 3.5Å; W244-Y295 HydrophobicContact CZ3-CD2 3.5Å; W244-Y295 VanDerWaalsContact CZ3-CD2 3.5Å; W244-Y295 AromaticContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CG 4.37Å; W244-A298 HydrophobicContact CB-CB 4Å; W244-F319 HydrophobicContact CB-CE1 4.34Å |
| 245 | C | 90.3 | Very high | 70.5 | Confident | 33 Ų | 33 | 76 Ų | 76 | 22% | 0.223 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.5 | -176.5 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | K320 | C245-K320 HydrophobicContact CB-CB 4.04Å; C245-K320 HydrophobicContact CB-CD 4.08Å; C245-K320 VanDerWaalsContact O-CB 3.31Å; C245-K320 WeakPolarHBondContact O-CB 3.21Å; C245-K320 PolarHBondContact O-N 2.98Å; C245-K320 VanDerWaalsContact SG-CD 3.51Å |
| 246 | I | 93.5 | Very high | 73.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.8 | 176.9 | -53.3 | 176 | 0 | 0 | 0 | 107.6 | I248 F264 F289 V290 M292 A298 A301 I302 V317 S318 | I246-I248 HydrophobicContact CB-CD1 4.5Å; I246-I248 HydrophobicContact CG2-CD1 4.18Å; I246-I248 HydrophobicContact CG2-CG1 4.48Å; I246-F264 HydrophobicContact CD1-CD1 4.05Å; I246-F264 HydrophobicContact CD1-CE1 3.68Å; I246-F264 HydrophobicContact CG2-CE1 4.08Å; I246-F264 HydrophobicContact CG2-CZ 4.28Å; I246-F289 VanDerWaalsContact O-CA 3.27Å; I246-F289 WeakPolarHBondContact O-CA 3.33Å; I246-V290 WeakPolarHBondContact CB-O 3.44Å; I246-V290 PolarHBondContact N-O 3.3Å; I246-V290 PolarHBondContact O-N 3.24Å; I246-M292 HydrophobicContact CD1-CG 3.95Å; I246-M292 HydrophobicContact CD1-SD 3.65Å; I246-A298 HydrophobicContact CD1-CB 3.85Å; I246-A298 HydrophobicContact CG1-CB 4.29Å; I246-A301 HydrophobicContact CD1-CB 4.48Å; I246-I302 HydrophobicContact CD1-CD1 4.48Å; I246-I302 HydrophobicContact CD1-CG1 4.29Å; I246-I302 HydrophobicContact CG1-CD1 4.21Å; I246-I302 HydrophobicContact CG1-CG1 4.38Å; I246-I302 HydrophobicContact CG2-CD1 4.29Å; I246-I302 HydrophobicContact CG2-CG1 3.86Å; I246-V317 HydrophobicContact CG2-CG1 3.41Å; I246-V317 VanDerWaalsContact CG2-CG1 3.41Å; I246-S318 CarbonylContact C-O 3.47Å; I246-S318 WeakPolarHBondContact CA-O 2.92Å; I246-S318 WeakPolarHBondContact CG2-O 3.44Å |
| 247 | F | 94.1 | Very high | 76 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131 | 172 | 175.6 | -116.5 | 0 | 0 | 0 | 109.4 | Y249 F287 F289 V317 S318 | F247-Y249 HydrophobicContact CE1-CD2 4.18Å; F247-Y249 HydrophobicContact CE1-CG 4.19Å; F247-Y249 AromaticContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CG 4.16Å; F247-F287 HydrophobicContact CE2-CB 3.86Å; F247-F287 AromaticContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CG 4.1Å; F247-F287 HydrophobicContact CZ-CB 4.15Å; F247-F289 HydrophobicContact CB-CD1 4.45Å; F247-F289 HydrophobicContact CB-CE1 4.38Å; F247-F289 HydrophobicContact CD2-CD1 4.01Å; F247-F289 AromaticContact CD2-CE1 3.45Å; F247-F289 HydrophobicContact CD2-CE1 3.45Å; F247-F289 VanDerWaalsContact CD2-CE1 3.45Å; F247-F289 AromaticContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CE2-CE1 4.16Å; F247-F289 HydrophobicContact CE2-CZ 4.13Å; F247-F289 HydrophobicContact CG-CE1 4.33Å; F247-V317 WeakPolarHBondContact O-CA 3.37Å; F247-S318 PolarHBondContact N-O 3.11Å; F247-S318 PolarHBondContact O-N 3.13Å |
| 248 | I | 94 | Very high | 78.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.6 | 178 | -55.6 | 87.4 | 0 | 0 | 0 | 107.4 | I246 L251 L260 F264 F287 G288 V290 Q316 V317 | I246-I248 HydrophobicContact CB-CD1 4.5Å; I246-I248 HydrophobicContact CG2-CD1 4.18Å; I246-I248 HydrophobicContact CG2-CG1 4.48Å; I248-L251 HydrophobicContact CG2-CD1 4.34Å; I248-L251 HydrophobicContact CG2-CD2 3.77Å; I248-L251 HydrophobicContact CG2-CG 4Å; I248-L260 HydrophobicContact CG1-CD2 4.47Å; I248-L260 HydrophobicContact CG2-CD2 4.35Å; I248-F264 HydrophobicContact CD1-CE2 4.23Å; I248-F264 HydrophobicContact CD1-CZ 4.04Å; I248-F264 HydrophobicContact CG1-CE2 3.96Å; I248-F264 HydrophobicContact CG1-CZ 3.76Å; I248-F287 CarbonylContact O-C 3.45Å; I248-F287 WeakPolarHBondContact O-CA 3.46Å; I248-F287 VanDerWaalsContact O-CB 3.27Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; I248-G288 PolarHBondContact N-O 3.49Å; I248-G288 PolarHBondContact O-N 3.12Å; I248-V290 HydrophobicContact CD1-CB 3.94Å; I248-V290 HydrophobicContact CD1-CG2 3.6Å; I248-Q316 CarbonylContact C-O 3.58Å; I248-Q316 WeakPolarHBondContact CA-O 3.28Å; I248-V317 HydrophobicContact CG1-CG1 4.31Å; I248-V317 HydrophobicContact CG1-CG2 4.44Å; I248-V317 HydrophobicContact CG2-CG2 4.31Å |
| 249 | Y | 92.6 | Very high | 81.1 | Confident | 109 Ų | 109 | 64 Ų | 64 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 161.3 | -179.3 | -171.4 | -101.4 | 0 | 0 | 0 | 111.1 | F247 G286 F287 Q316 | F247-Y249 HydrophobicContact CE1-CD2 4.18Å; F247-Y249 HydrophobicContact CE1-CG 4.19Å; F247-Y249 AromaticContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CG 4.16Å; Y249-G286 CarbonylContact C-O 3.55Å; Y249-F287 HydrophobicContact CD2-CB 3.79Å; Y249-Q316 PolarHBondContact N-O 3.37Å; Y249-Q316 PolarHBondContact O-N 3.13Å |
| 250 | N | 91.2 | Very high | 83.5 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 63.9 | 38 | -175 | -159.8 | 34 | 0 | 0 | 0 | 113.8 | G286 K313 I314 | N250-G286 WeakPolarHBondContact CA-O 3.13Å; N250-G286 PolarHBondContact N-O 3.02Å; N250-K313 VanDerWaalsContact O-CB 3.29Å; N250-K313 WeakPolarHBondContact O-CB 3.12Å; N250-I314 WeakPolarHBondContact CB-O 3.45Å; N250-I314 PolarHBondContact ND2-N 2.81Å; N250-I314 PolarHBondContact ND2-O 2.92Å |
| 251 | L | 91.3 | Very high | 86 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -68.8 | 149.1 | 170.7 | -68.3 | 171.9 | 0 | 0 | 0 | 111.4 | I248 A255 L260 G286 L310 L315 | I248-L251 HydrophobicContact CG2-CD1 4.34Å; I248-L251 HydrophobicContact CG2-CD2 3.77Å; I248-L251 HydrophobicContact CG2-CG 4Å; L251-A255 HydrophobicContact CB-CB 3.96Å; L251-A255 HydrophobicContact CD2-CB 4.3Å; L251-L260 HydrophobicContact CD1-CD1 4.24Å; L251-L260 HydrophobicContact CD2-CD2 4.02Å; L251-G286 PolarHBondContact N-O 3.32Å; L251-G286 WeakPolarHBondContact O-CA 3.16Å; L251-L310 HydrophobicContact CD2-CD2 4.48Å; L251-L315 HydrophobicContact CD2-CD2 3.72Å | ||
| 252 | G | 86.6 | Confident | 88.1 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | trans | -63.8 | 152.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | D254 A255 C284 | G252-D254 PolarHBondContact O-N 2.92Å; G252-D254 VanDerWaalsContact O-N 3.16Å; G252-A255 WeakPolarHBondContact O-CB 3.43Å; G252-A255 PolarHBondContact O-N 3.37Å; G252-C284 WeakPolarHBondContact O-CB 3.18Å | ||
| 253 | Q | 85.9 | Confident | 89.1 | Confident | 105 Ų | 105 | 54.8 Ų | 54.8 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.3 | 179 | 68.1 | -178.9 | 22.4 | 0 | 0 | 113 | K283 C284 | Q253-K283 HydrophobicContact CB-CD 4.43Å; Q253-C284 WeakPolarHBondContact O-CB 3.25Å; Q253-C284 PolarHBondContact O-N 3.09Å |
| 254 | D | 83.5 | Confident | 89.8 | Confident | 123 Ų | 123 | 54.1 Ų | 54.1 | 66% | 0.658 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.9 | 179.7 | -52.6 | -59 | 0 | 0 | 0 | 112.4 | G252 | G252-D254 PolarHBondContact O-N 2.92Å; G252-D254 VanDerWaalsContact O-N 3.16Å |
| 255 | A | 85.4 | Confident | 90 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | trans | -68.1 | 137.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L251 G252 I259 | L251-A255 HydrophobicContact CB-CB 3.96Å; L251-A255 HydrophobicContact CD2-CB 4.3Å; G252-A255 WeakPolarHBondContact O-CB 3.43Å; G252-A255 PolarHBondContact O-N 3.37Å; A255-I259 HydrophobicContact CB-CG2 4.38Å | ||
| 256 | D | 88.9 | Confident | 90.1 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | trans | -124.1 | 176.4 | -179.2 | 77.5 | -52.3 | 0 | 0 | 0 | 113.1 | G258 I259 R277 | D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact OD2-CA 3.3Å; D256-G258 WeakPolarHBondContact OD2-CA 3.44Å; D256-G258 PolarHBondContact OD2-N 2.81Å; D256-I259 WeakPolarHBondContact O-CG2 3.33Å; D256-I259 WeakPolarHBondContact OD1-CG2 3.42Å; D256-I259 PolarHBondContact OD1-N 3.36Å; D256-R277 VanDerWaalsContact CA-NH2 3.32Å | ||
| 257 | E | 90.2 | Very high | 89.9 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -32.2 | 177.6 | -68.5 | 77.6 | -179.6 | 0 | 0 | 111.5 | L260 W261 V273 V275 R277 | E257-L260 PolarHBondContact O-N 2.76Å; E257-W261 VanDerWaalsContact O-CD1 3.23Å; E257-W261 PolarHBondContact O-N 3.03Å; E257-V273 HydrophobicContact CB-CG1 4.08Å; E257-V273 HydrophobicContact CG-CG1 4.25Å; E257-V275 HydrophobicContact CG-CB 4.44Å; E257-V275 HydrophobicContact CG-CG2 4.08Å; E257-V275 PolarHBondContact OE1-N 2.74Å; E257-R277 IonicContact OE1-NE 3.43Å; E257-R277 IonicContact OE2-CZ 2.75Å; E257-R277 IonicContact OE2-NE 2.74Å; E257-R277 IonicContact OE2-NH2 2.9Å; E257-R277 PolarHBondContact OE2-NH2 3.34Å |
| 258 | G | 89.4 | Confident | 89.6 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | D256 L260 W261 Q262 | D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact OD2-CA 3.3Å; D256-G258 WeakPolarHBondContact OD2-CA 3.44Å; D256-G258 PolarHBondContact OD2-N 2.81Å; G258-L260 VanDerWaalsContact C-N 3.3Å; G258-L260 PolarHBondContact O-N 2.85Å; G258-W261 WeakPolarHBondContact O-CB 3.22Å; G258-W261 PolarHBondContact O-N 3.37Å; G258-Q262 PolarHBondContact O-N 2.76Å |
| 259 | I | 89.6 | Confident | 89.3 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 178 | -168.7 | 66.2 | 0 | 0 | 0 | 112.3 | A255 D256 Q262 M263 L310 | A255-I259 HydrophobicContact CB-CG2 4.38Å; D256-I259 WeakPolarHBondContact O-CG2 3.33Å; D256-I259 WeakPolarHBondContact OD1-CG2 3.42Å; D256-I259 PolarHBondContact OD1-N 3.36Å; I259-Q262 PolarHBondContact O-N 2.83Å; I259-M263 HydrophobicContact CG1-CE 4Å; I259-M263 WeakPolarHBondContact O-CG 3.36Å; I259-M263 PolarHBondContact O-N 3.02Å; I259-L310 HydrophobicContact CD1-CD1 4.38Å; I259-L310 HydrophobicContact CG1-CD1 4.12Å; I259-L310 HydrophobicContact CG1-CD2 4.3Å |
| 260 | L | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 175.7 | -70.3 | -176.3 | 0 | 0 | 0 | 111.8 | I248 L251 E257 G258 Q262 M263 F264 V273 V275 V290 | I248-L260 HydrophobicContact CG1-CD2 4.47Å; I248-L260 HydrophobicContact CG2-CD2 4.35Å; L251-L260 HydrophobicContact CD1-CD1 4.24Å; L251-L260 HydrophobicContact CD2-CD2 4.02Å; E257-L260 PolarHBondContact O-N 2.76Å; G258-L260 VanDerWaalsContact C-N 3.3Å; G258-L260 PolarHBondContact O-N 2.85Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.82Å; L260-M263 HydrophobicContact CD2-CE 3.82Å; L260-M263 PolarHBondContact O-N 2.93Å; L260-F264 HydrophobicContact CD2-CE2 4.26Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 VanDerWaalsContact O-CD2 3.31Å; L260-F264 WeakPolarHBondContact O-CD2 3.07Å; L260-F264 PolarHBondContact O-N 2.76Å; L260-V273 HydrophobicContact CB-CG1 3.62Å; L260-V273 HydrophobicContact CD1-CG1 3.84Å; L260-V273 HydrophobicContact CG-CG1 4.37Å; L260-V275 HydrophobicContact CD1-CG2 3.69Å; L260-V290 HydrophobicContact CB-CG2 4.2Å; L260-V290 HydrophobicContact CD1-CG2 4.3Å |
| 261 | W | 90.6 | Very high | 89 | Confident | 115 Ų | 115 | 54 Ų | 54 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 172.6 | -90.9 | 106.2 | 0 | 0 | 0 | 112 | E257 G258 G265 V270 V273 | E257-W261 VanDerWaalsContact O-CD1 3.23Å; E257-W261 PolarHBondContact O-N 3.03Å; G258-W261 WeakPolarHBondContact O-CB 3.22Å; G258-W261 PolarHBondContact O-N 3.37Å; W261-G265 WeakPolarHBondContact O-CA 3.47Å; W261-G265 PolarHBondContact O-N 2.7Å; W261-V270 HydrophobicContact CD2-CB 4.47Å; W261-V270 HydrophobicContact CD2-CG1 4.1Å; W261-V270 HydrophobicContact CE3-CB 3.74Å; W261-V270 HydrophobicContact CE3-CG1 3.86Å; W261-V270 HydrophobicContact CE3-CG2 4.43Å; W261-V270 HydrophobicContact CH2-CB 3.8Å; W261-V270 HydrophobicContact CH2-CG1 3.7Å; W261-V270 WeakPolarHBondContact CH2-O 3.48Å; W261-V270 HydrophobicContact CZ2-CB 4.48Å; W261-V270 HydrophobicContact CZ2-CG1 3.89Å; W261-V270 HydrophobicContact CZ3-CB 3.4Å; W261-V270 HydrophobicContact CZ3-CG1 3.7Å; W261-V270 HydrophobicContact CZ3-CG2 4.45Å; W261-V270 WeakPolarHBondContact CZ3-O 3.47Å; W261-V273 HydrophobicContact CD2-CG2 3.79Å; W261-V273 VanDerWaalsContact CE2-CG2 3.47Å; W261-V273 HydrophobicContact CG-CG2 3.81Å; W261-V273 HydrophobicContact CZ2-CG2 4.12Å; W261-V273 VanDerWaalsContact NE1-CG2 3.27Å |
| 262 | Q | 89.9 | Confident | 88.7 | Confident | 151 Ų | 151 | 58 Ų | 58 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.3 | -36.2 | -179.2 | -172.5 | 166.6 | -8.7 | 0 | 0 | 112.9 | G258 I259 L260 P266 | G258-Q262 PolarHBondContact O-N 2.76Å; I259-Q262 PolarHBondContact O-N 2.83Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.82Å; Q262-P266 VanDerWaalsContact O-CD 3.24Å; Q262-P266 WeakPolarHBondContact O-CD 3.26Å |
| 263 | M | 88.9 | Confident | 89 | Confident | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 177.1 | -73.9 | -167.5 | -73.3 | 0 | 0 | 113 | I259 L260 F267 L305 Y308 L310 L315 | I259-M263 HydrophobicContact CG1-CE 4Å; I259-M263 WeakPolarHBondContact O-CG 3.36Å; I259-M263 PolarHBondContact O-N 3.02Å; L260-M263 HydrophobicContact CD2-CE 3.82Å; L260-M263 PolarHBondContact O-N 2.93Å; M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 VanDerWaalsContact O-CE2 3.26Å; M263-F267 WeakPolarHBondContact O-CE2 3.46Å; M263-L305 HydrophobicContact CB-CD1 4.3Å; M263-L305 HydrophobicContact CB-CD2 4.43Å; M263-Y308 HydrophobicContact SD-CD1 4.07Å; M263-Y308 HydrophobicContact SD-CE1 4.01Å; M263-L310 HydrophobicContact CE-CD1 4.48Å; M263-L310 HydrophobicContact CE-CD2 3.88Å; M263-L310 HydrophobicContact SD-CD1 4.31Å; M263-L315 HydrophobicContact CE-CD1 3.84Å; M263-L315 HydrophobicContact SD-CD1 4.04Å |
| 264 | F | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -91.1 | -21.1 | -176 | -77.1 | -97.3 | 0 | 0 | 0 | 113.9 | I246 I248 L260 F267 V270 V290 M292 A301 L305 V317 | I246-F264 HydrophobicContact CD1-CD1 4.05Å; I246-F264 HydrophobicContact CD1-CE1 3.68Å; I246-F264 HydrophobicContact CG2-CE1 4.08Å; I246-F264 HydrophobicContact CG2-CZ 4.28Å; I248-F264 HydrophobicContact CD1-CE2 4.23Å; I248-F264 HydrophobicContact CD1-CZ 4.04Å; I248-F264 HydrophobicContact CG1-CE2 3.96Å; I248-F264 HydrophobicContact CG1-CZ 3.76Å; L260-F264 HydrophobicContact CD2-CE2 4.26Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 VanDerWaalsContact O-CD2 3.31Å; L260-F264 WeakPolarHBondContact O-CD2 3.07Å; L260-F264 PolarHBondContact O-N 2.76Å; F264-F267 PolarHBondContact O-N 2.75Å; F264-F267 VanDerWaalsContact O-N 3.12Å; F264-V270 HydrophobicContact CB-CG2 3.75Å; F264-V290 HydrophobicContact CB-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 3.96Å; F264-V290 HydrophobicContact CD2-CG1 4.46Å; F264-V290 HydrophobicContact CD2-CG2 3.92Å; F264-V290 HydrophobicContact CE2-CG2 4.06Å; F264-V290 HydrophobicContact CG-CB 4.39Å; F264-V290 HydrophobicContact CG-CG1 3.91Å; F264-V290 HydrophobicContact CG-CG2 4.21Å; F264-V290 HydrophobicContact CZ-CG2 4.47Å; F264-M292 HydrophobicContact CD1-SD 4.11Å; F264-A301 HydrophobicContact CD1-CB 3.82Å; F264-A301 HydrophobicContact CE1-CB 3.93Å; F264-L305 HydrophobicContact CD1-CD1 3.95Å; F264-L305 HydrophobicContact CD2-CD1 3.81Å; F264-L305 HydrophobicContact CE1-CD1 3.73Å; F264-L305 HydrophobicContact CE2-CD1 3.61Å; F264-L305 HydrophobicContact CG-CD1 3.99Å; F264-L305 HydrophobicContact CZ-CD1 3.57Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 3.85Å |
| 265 | G | 90.4 | Very high | 89.5 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -55.4 | -41.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | W261 F267 G268 | W261-G265 WeakPolarHBondContact O-CA 3.47Å; W261-G265 PolarHBondContact O-N 2.7Å; G265-F267 PolarHBondContact O-N 2.9Å; G265-G268 PolarHBondContact O-N 3.43Å |
| 266 | P | 92.1 | Very high | 89.7 | Confident | 110 Ų | 110 | 53.7 Ų | 53.7 | 71% | 0.714 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.8 | 177.4 | -25.4 | 35.3 | 0 | 0 | 0 | 114.5 | Q262 | Q262-P266 VanDerWaalsContact O-CD 3.24Å; Q262-P266 WeakPolarHBondContact O-CD 3.26Å |
| 267 | F | 90.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -89.8 | -20.7 | -177.1 | -61.9 | -79.8 | 0 | 0 | 0 | 113 | M263 F264 G265 M292 E297 M300 A301 S304 L305 | M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 VanDerWaalsContact O-CE2 3.26Å; M263-F267 WeakPolarHBondContact O-CE2 3.46Å; F264-F267 PolarHBondContact O-N 2.75Å; F264-F267 VanDerWaalsContact O-N 3.12Å; G265-F267 PolarHBondContact O-N 2.9Å; F267-M292 HydrophobicContact CB-CE 4.09Å; F267-E297 WeakPolarHBondContact O-CB 3.35Å; F267-E297 VanDerWaalsContact O-CG 3.24Å; F267-E297 WeakPolarHBondContact O-CG 3.26Å; F267-M300 HydrophobicContact CD1-CB 4.46Å; F267-A301 HydrophobicContact CB-CB 3.72Å; F267-A301 HydrophobicContact CD1-CB 4.21Å; F267-A301 HydrophobicContact CD2-CB 3.94Å; F267-A301 HydrophobicContact CG-CB 3.68Å; F267-S304 WeakPolarHBondContact CE1-OG 3.42Å; F267-S304 VanDerWaalsContact CZ-CB 3.46Å; F267-L305 HydrophobicContact CD2-CD1 4.24Å; F267-L305 HydrophobicContact CE2-CD1 3.84Å; F267-L305 HydrophobicContact CE2-CD2 4.14Å; F267-L305 HydrophobicContact CE2-CG 3.91Å; F267-L305 HydrophobicContact CZ-CG 4.3Å |
| 268 | G | 86.9 | Confident | 89.4 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 162.6 | 176.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | G265 V270 E297 | G265-G268 PolarHBondContact O-N 3.43Å; G268-V270 PolarHBondContact O-N 2.78Å; G268-V270 VanDerWaalsContact O-N 3.14Å; G268-E297 WeakPolarHBondContact CA-OE2 3.4Å |
| 269 | A | 87.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | trans | -72.1 | 110.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | T293 E297 | A269-T293 HydrophobicContact CB-CG2 4.09Å; A269-T293 PolarHBondContact O-N 2.94Å; A269-T293 PolarHBondContact O-OG1 2.9Å; A269-E297 PolarHBondContact N-OE2 2.71Å | ||
| 270 | V | 90.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | W261 F264 G268 V273 V290 M292 | W261-V270 HydrophobicContact CD2-CB 4.47Å; W261-V270 HydrophobicContact CD2-CG1 4.1Å; W261-V270 HydrophobicContact CE3-CB 3.74Å; W261-V270 HydrophobicContact CE3-CG1 3.86Å; W261-V270 HydrophobicContact CE3-CG2 4.43Å; W261-V270 HydrophobicContact CH2-CB 3.8Å; W261-V270 HydrophobicContact CH2-CG1 3.7Å; W261-V270 WeakPolarHBondContact CH2-O 3.48Å; W261-V270 HydrophobicContact CZ2-CB 4.48Å; W261-V270 HydrophobicContact CZ2-CG1 3.89Å; W261-V270 HydrophobicContact CZ3-CB 3.4Å; W261-V270 HydrophobicContact CZ3-CG1 3.7Å; W261-V270 HydrophobicContact CZ3-CG2 4.45Å; W261-V270 WeakPolarHBondContact CZ3-O 3.47Å; F264-V270 HydrophobicContact CB-CG2 3.75Å; G268-V270 PolarHBondContact O-N 2.78Å; G268-V270 VanDerWaalsContact O-N 3.14Å; V270-V273 HydrophobicContact CG1-CG2 3.41Å; V270-V273 VanDerWaalsContact CG1-CG2 3.41Å; V270-V290 HydrophobicContact CG1-CG1 3.81Å; V270-V290 HydrophobicContact CG2-CG1 4.07Å; V270-M292 HydrophobicContact CG2-CG 4.44Å |
| 271 | T | 87.4 | Confident | 87.8 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -30 | -179.2 | 59 | 0 | 0 | 0 | 0 | 112.6 | T291 T293 | T271-T291 PolarHBondContact N-O 3.04Å; T271-T291 WeakPolarHBondContact OG1-CB 3.44Å; T271-T291 WeakPolarHBondContact OG1-CG2 3.49Å; T271-T291 PolarHBondContact OG1-O 3.37Å; T271-T293 HydrophobicContact CG2-CG2 3.29Å |
| 272 | N | 85.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 138.5 | -178.3 | -155.8 | -90.9 | 0 | 0 | 0 | 110.7 | V290 T291 | N272-V290 CarbonylContact O-C 3.54Å; N272-V290 WeakPolarHBondContact O-CA 3.16Å; N272-T291 PolarHBondContact N-O 3.13Å; N272-T291 PolarHBondContact O-N 3.02Å |
| 273 | V | 91.1 | Very high | 86.8 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.2 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | E257 L260 W261 V270 F289 V290 | E257-V273 HydrophobicContact CB-CG1 4.08Å; E257-V273 HydrophobicContact CG-CG1 4.25Å; L260-V273 HydrophobicContact CB-CG1 3.62Å; L260-V273 HydrophobicContact CD1-CG1 3.84Å; L260-V273 HydrophobicContact CG-CG1 4.37Å; W261-V273 HydrophobicContact CD2-CG2 3.79Å; W261-V273 VanDerWaalsContact CE2-CG2 3.47Å; W261-V273 HydrophobicContact CG-CG2 3.81Å; W261-V273 HydrophobicContact CZ2-CG2 4.12Å; W261-V273 VanDerWaalsContact NE1-CG2 3.27Å; V270-V273 HydrophobicContact CG1-CG2 3.41Å; V270-V273 VanDerWaalsContact CG1-CG2 3.41Å; V273-F289 CarbonylContact C-O 3.55Å; V273-F289 WeakPolarHBondContact CA-O 3.34Å; V273-V290 HydrophobicContact CG1-CG2 4.24Å; V273-V290 HydrophobicContact CG2-CG1 4.44Å; V273-V290 HydrophobicContact CG2-CG2 4.16Å |
| 274 | K | 90.1 | Very high | 86.6 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 117.1 | 178.7 | -175.2 | 174.6 | -175.9 | 171.6 | 0 | 110.5 | I276 G288 F289 | K274-I276 HydrophobicContact CD-CD1 4.06Å; K274-I276 HydrophobicContact CG-CD1 4.07Å; K274-G288 CarbonylContact O-C 3.59Å; K274-G288 WeakPolarHBondContact O-CA 3.29Å; K274-F289 PolarHBondContact N-O 2.8Å; K274-F289 PolarHBondContact O-N 3.15Å |
| 275 | V | 91.5 | Very high | 86.3 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.8 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | E257 L260 R277 C284 | E257-V275 HydrophobicContact CG-CB 4.44Å; E257-V275 HydrophobicContact CG-CG2 4.08Å; E257-V275 PolarHBondContact OE1-N 2.74Å; L260-V275 HydrophobicContact CD1-CG2 3.69Å; V275-R277 HydrophobicContact CG1-CG 4.28Å; V275-C284 HydrophobicContact CG1-CB 3.95Å; V275-C284 WeakPolarHBondContact CG1-SG 3.46Å |
| 276 | I | 88.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.19 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.9 | 175.2 | -56.6 | -53.5 | 0 | 0 | 0 | 108.4 | K274 K285 F287 F289 | K274-I276 HydrophobicContact CD-CD1 4.06Å; K274-I276 HydrophobicContact CG-CD1 4.07Å; I276-K285 HydrophobicContact CG2-CB 4.45Å; I276-K285 HydrophobicContact CG2-CD 3.91Å; I276-K285 HydrophobicContact CG2-CG 4.2Å; I276-K285 PolarHBondContact O-N 3.26Å; I276-F287 HydrophobicContact CB-CD2 4.02Å; I276-F287 HydrophobicContact CB-CE1 4.31Å; I276-F287 HydrophobicContact CB-CE2 3.67Å; I276-F287 HydrophobicContact CB-CZ 3.82Å; I276-F287 HydrophobicContact CG1-CD2 3.76Å; I276-F287 HydrophobicContact CG1-CE2 3.39Å; I276-F287 HydrophobicContact CG1-CZ 4.02Å; I276-F287 HydrophobicContact CG2-CE1 4.21Å; I276-F287 HydrophobicContact CG2-CE2 3.96Å; I276-F287 HydrophobicContact CG2-CZ 3.65Å; I276-F287 PolarHBondContact N-O 3.3Å; I276-F289 HydrophobicContact CD1-CD2 4.35Å; I276-F289 HydrophobicContact CD1-CE2 4.14Å; I276-F289 HydrophobicContact CG1-CD2 4.24Å; I276-F289 HydrophobicContact CG1-CE2 3.81Å |
| 277 | R | 89.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150.5 | -179.4 | -62.5 | 173.5 | -172.1 | -91.4 | 3.8 | 110.8 | D256 E257 V275 N282 K283 K285 | D256-R277 VanDerWaalsContact CA-NH2 3.32Å; E257-R277 IonicContact OE1-NE 3.43Å; E257-R277 IonicContact OE2-CZ 2.75Å; E257-R277 IonicContact OE2-NE 2.74Å; E257-R277 IonicContact OE2-NH2 2.9Å; E257-R277 PolarHBondContact OE2-NH2 3.34Å; V275-R277 HydrophobicContact CG1-CG 4.28Å; R277-N282 WeakPolarHBondContact CD-O 3.28Å; R277-K283 CarbonylContact C-O 3.54Å; R277-K283 WeakPolarHBondContact CA-O 3.42Å; R277-K283 WeakPolarHBondContact CB-O 3.45Å; R277-K285 VanDerWaalsContact C-CG 3.43Å |
| 278 | D | 83.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -72.8 | 135.7 | 173.2 | -167 | -91.1 | 0 | 0 | 0 | 109.7 | N280 N282 K283 K285 | D278-N280 VanDerWaalsContact C-N 3.28Å; D278-N280 PolarHBondContact O-N 3.19Å; D278-N280 PolarHBondContact OD1-N 2.92Å; D278-N282 VanDerWaalsContact O-CA 3.26Å; D278-N282 WeakPolarHBondContact O-CA 3.46Å; D278-N282 PolarHBondContact O-N 3.15Å; D278-K283 PolarHBondContact N-O 3Å; D278-K285 HydrophobicContact CB-CD 4.32Å; D278-K285 HydrophobicContact CB-CG 4.03Å; D278-K285 VanDerWaalsContact N-CG 3.29Å; D278-K285 WeakPolarHBondContact OD2-CE 3.38Å; D278-K285 IonicContact OD2-NZ 3.47Å; D278-K285 PolarHBondContact OD2-NZ 3.25Å; D278-K285 VanDerWaalsContact OD2-NZ 3.16Å | ||
| 279 | F | 77.4 | Confident | 86.6 | Confident | 174 Ų | 174 | 65 Ų | 65 | 76% | 0.763 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31 | -174.7 | -177.9 | -99.2 | 0 | 0 | 0 | 112.8 | ||
| 280 | N | 77.7 | Confident | 86.9 | Confident | 136 Ų | 136 | 62.3 Ų | 62.3 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -33 | -174.5 | -57.1 | -61.6 | 0 | 0 | 0 | 112.2 | D278 | D278-N280 VanDerWaalsContact C-N 3.28Å; D278-N280 PolarHBondContact O-N 3.19Å; D278-N280 PolarHBondContact OD1-N 2.92Å |
| 281 | T | 81.6 | Confident | 86.9 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -9.3 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | K283 | T281-K283 PolarHBondContact O-N 3.44Å; T281-K283 PolarHBondContact OG1-N 3.24Å |
| 282 | N | 77.5 | Confident | 87.1 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | trans | 54 | 10.2 | -170.2 | -81 | -61.2 | 0 | 0 | 0 | 115.1 | R277 D278 | R277-N282 WeakPolarHBondContact CD-O 3.28Å; D278-N282 VanDerWaalsContact O-CA 3.26Å; D278-N282 WeakPolarHBondContact O-CA 3.46Å; D278-N282 PolarHBondContact O-N 3.15Å | ||
| 283 | K | 82.1 | Confident | 87.1 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | trans | -83 | 152.3 | 177.2 | -64.9 | -165.5 | 174.2 | -164.4 | 0 | 111.4 | Q253 R277 D278 T281 K285 | Q253-K283 HydrophobicContact CB-CD 4.43Å; R277-K283 CarbonylContact C-O 3.54Å; R277-K283 WeakPolarHBondContact CA-O 3.42Å; R277-K283 WeakPolarHBondContact CB-O 3.45Å; D278-K283 PolarHBondContact N-O 3Å; T281-K283 PolarHBondContact O-N 3.44Å; T281-K283 PolarHBondContact OG1-N 3.24Å; K283-K285 PolarHBondContact O-N 2.85Å | ||
| 284 | C | 84.8 | Confident | 87 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 132.1 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | G252 Q253 V275 G286 | G252-C284 WeakPolarHBondContact O-CB 3.18Å; Q253-C284 WeakPolarHBondContact O-CB 3.25Å; Q253-C284 PolarHBondContact O-N 3.09Å; V275-C284 HydrophobicContact CG1-CB 3.95Å; V275-C284 WeakPolarHBondContact CG1-SG 3.46Å; C284-G286 PolarHBondContact O-N 3.32Å; C284-G286 PolarHBondContact SG-N 2.82Å |
| 285 | K | 85.1 | Confident | 86.9 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 8.5 | 174.2 | -53.8 | -164.4 | 91.3 | 162.4 | 0 | 112.8 | I276 R277 D278 K283 F287 | I276-K285 HydrophobicContact CG2-CB 4.45Å; I276-K285 HydrophobicContact CG2-CD 3.91Å; I276-K285 HydrophobicContact CG2-CG 4.2Å; I276-K285 PolarHBondContact O-N 3.26Å; R277-K285 VanDerWaalsContact C-CG 3.43Å; D278-K285 HydrophobicContact CB-CD 4.32Å; D278-K285 HydrophobicContact CB-CG 4.03Å; D278-K285 VanDerWaalsContact N-CG 3.29Å; D278-K285 WeakPolarHBondContact OD2-CE 3.38Å; D278-K285 IonicContact OD2-NZ 3.47Å; D278-K285 PolarHBondContact OD2-NZ 3.25Å; D278-K285 VanDerWaalsContact OD2-NZ 3.16Å; K283-K285 PolarHBondContact O-N 2.85Å; K285-F287 HydrophobicContact CB-CD1 4.15Å; K285-F287 HydrophobicContact CB-CE1 3.82Å |
| 286 | G | 87.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 68 Ų | 68 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.1 | 13.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y249 N250 L251 C284 | Y249-G286 CarbonylContact C-O 3.55Å; N250-G286 WeakPolarHBondContact CA-O 3.13Å; N250-G286 PolarHBondContact N-O 3.02Å; L251-G286 PolarHBondContact N-O 3.32Å; L251-G286 WeakPolarHBondContact O-CA 3.16Å; C284-G286 PolarHBondContact O-N 3.32Å; C284-G286 PolarHBondContact SG-N 2.82Å |
| 287 | F | 92.4 | Very high | 86.9 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 158 | 175.7 | 67.2 | -84.8 | 0 | 0 | 0 | 114 | F247 I248 Y249 I276 K285 F289 | F247-F287 HydrophobicContact CE2-CB 3.86Å; F247-F287 AromaticContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CG 4.1Å; F247-F287 HydrophobicContact CZ-CB 4.15Å; I248-F287 CarbonylContact O-C 3.45Å; I248-F287 WeakPolarHBondContact O-CA 3.46Å; I248-F287 VanDerWaalsContact O-CB 3.27Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; Y249-F287 HydrophobicContact CD2-CB 3.79Å; I276-F287 HydrophobicContact CB-CD2 4.02Å; I276-F287 HydrophobicContact CB-CE1 4.31Å; I276-F287 HydrophobicContact CB-CE2 3.67Å; I276-F287 HydrophobicContact CB-CZ 3.82Å; I276-F287 HydrophobicContact CG1-CD2 3.76Å; I276-F287 HydrophobicContact CG1-CE2 3.39Å; I276-F287 HydrophobicContact CG1-CZ 4.02Å; I276-F287 HydrophobicContact CG2-CE1 4.21Å; I276-F287 HydrophobicContact CG2-CE2 3.96Å; I276-F287 HydrophobicContact CG2-CZ 3.65Å; I276-F287 PolarHBondContact N-O 3.3Å; K285-F287 HydrophobicContact CB-CD1 4.15Å; K285-F287 HydrophobicContact CB-CE1 3.82Å; F287-F289 HydrophobicContact CD2-CE2 4.06Å; F287-F289 HydrophobicContact CD2-CZ 4.27Å; F287-F289 HydrophobicContact CE2-CE2 4.1Å; F287-F289 HydrophobicContact CE2-CZ 4.32Å |
| 288 | G | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I248 K274 | I248-G288 PolarHBondContact N-O 3.49Å; I248-G288 PolarHBondContact O-N 3.12Å; K274-G288 CarbonylContact O-C 3.59Å; K274-G288 WeakPolarHBondContact O-CA 3.29Å |
| 289 | F | 94.2 | Very high | 87.3 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.9 | -179 | -58 | -85.9 | 0 | 0 | 0 | 109.8 | I246 F247 V273 K274 I276 F287 K320 | I246-F289 VanDerWaalsContact O-CA 3.27Å; I246-F289 WeakPolarHBondContact O-CA 3.33Å; F247-F289 HydrophobicContact CB-CD1 4.45Å; F247-F289 HydrophobicContact CB-CE1 4.38Å; F247-F289 HydrophobicContact CD2-CD1 4.01Å; F247-F289 AromaticContact CD2-CE1 3.45Å; F247-F289 HydrophobicContact CD2-CE1 3.45Å; F247-F289 VanDerWaalsContact CD2-CE1 3.45Å; F247-F289 AromaticContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CE2-CE1 4.16Å; F247-F289 HydrophobicContact CE2-CZ 4.13Å; F247-F289 HydrophobicContact CG-CE1 4.33Å; V273-F289 CarbonylContact C-O 3.55Å; V273-F289 WeakPolarHBondContact CA-O 3.34Å; K274-F289 PolarHBondContact N-O 2.8Å; K274-F289 PolarHBondContact O-N 3.15Å; I276-F289 HydrophobicContact CD1-CD2 4.35Å; I276-F289 HydrophobicContact CD1-CE2 4.14Å; I276-F289 HydrophobicContact CG1-CD2 4.24Å; I276-F289 HydrophobicContact CG1-CE2 3.81Å; F287-F289 HydrophobicContact CD2-CE2 4.06Å; F287-F289 HydrophobicContact CD2-CZ 4.27Å; F287-F289 HydrophobicContact CE2-CE2 4.1Å; F287-F289 HydrophobicContact CE2-CZ 4.32Å; F289-K320 HydrophobicContact CD1-CD 4.2Å; F289-K320 HydrophobicContact CE1-CD 4.12Å; F289-K320 HydrophobicContact CE1-CG 4.45Å |
| 290 | V | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.9 | 171.6 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | I246 I248 L260 F264 V270 N272 V273 M292 | I246-V290 WeakPolarHBondContact CB-O 3.44Å; I246-V290 PolarHBondContact N-O 3.3Å; I246-V290 PolarHBondContact O-N 3.24Å; I248-V290 HydrophobicContact CD1-CB 3.94Å; I248-V290 HydrophobicContact CD1-CG2 3.6Å; L260-V290 HydrophobicContact CB-CG2 4.2Å; L260-V290 HydrophobicContact CD1-CG2 4.3Å; F264-V290 HydrophobicContact CB-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 3.96Å; F264-V290 HydrophobicContact CD2-CG1 4.46Å; F264-V290 HydrophobicContact CD2-CG2 3.92Å; F264-V290 HydrophobicContact CE2-CG2 4.06Å; F264-V290 HydrophobicContact CG-CB 4.39Å; F264-V290 HydrophobicContact CG-CG1 3.91Å; F264-V290 HydrophobicContact CG-CG2 4.21Å; F264-V290 HydrophobicContact CZ-CG2 4.47Å; V270-V290 HydrophobicContact CG1-CG1 3.81Å; V270-V290 HydrophobicContact CG2-CG1 4.07Å; N272-V290 CarbonylContact O-C 3.54Å; N272-V290 WeakPolarHBondContact O-CA 3.16Å; V273-V290 HydrophobicContact CG1-CG2 4.24Å; V273-V290 HydrophobicContact CG2-CG1 4.44Å; V273-V290 HydrophobicContact CG2-CG2 4.16Å; V290-M292 HydrophobicContact CG1-CG 4.18Å |
| 291 | T | 90.8 | Very high | 88.8 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.8 | 175.2 | -51.2 | 0 | 0 | 0 | 0 | 108.4 | W244 T271 N272 | W244-T291 WeakPolarHBondContact O-CA 3.4Å; T271-T291 PolarHBondContact N-O 3.04Å; T271-T291 WeakPolarHBondContact OG1-CB 3.44Å; T271-T291 WeakPolarHBondContact OG1-CG2 3.49Å; T271-T291 PolarHBondContact OG1-O 3.37Å; N272-T291 PolarHBondContact N-O 3.13Å; N272-T291 PolarHBondContact O-N 3.02Å |
| 292 | M | 90.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 154.5 | 177.1 | -60.8 | -168.3 | 75.1 | 0 | 0 | 110.6 | G243 W244 I246 F264 F267 V270 V290 E297 A298 A301 | G243-M292 CarbonylContact C-O 3.5Å; G243-M292 WeakPolarHBondContact CA-O 3.37Å; W244-M292 PolarHBondContact N-O 2.8Å; W244-M292 PolarHBondContact O-N 2.89Å; I246-M292 HydrophobicContact CD1-CG 3.95Å; I246-M292 HydrophobicContact CD1-SD 3.65Å; F264-M292 HydrophobicContact CD1-SD 4.11Å; F267-M292 HydrophobicContact CB-CE 4.09Å; V270-M292 HydrophobicContact CG2-CG 4.44Å; V290-M292 HydrophobicContact CG1-CG 4.18Å; M292-E297 HydrophobicContact CE-CB 4.12Å; M292-A298 HydrophobicContact CB-CB 4.15Å; M292-A298 HydrophobicContact CG-CB 4.47Å; M292-A298 HydrophobicContact SD-CB 4.09Å; M292-A301 HydrophobicContact SD-CB 4.01Å |
| 293 | T | 87.5 | Confident | 90 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -71 | -41.3 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | A269 T271 | A269-T293 HydrophobicContact CB-CG2 4.09Å; A269-T293 PolarHBondContact O-N 2.94Å; A269-T293 PolarHBondContact O-OG1 2.9Å; T271-T293 HydrophobicContact CG2-CG2 3.29Å |
| 294 | N | 88.5 | Confident | 90.5 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | trans | -109.8 | 144.3 | -172.1 | -65 | -38.3 | 0 | 0 | 0 | 112.7 | E297 A298 | N294-E297 HydrophobicContact CB-CB 4.04Å; N294-E297 HydrophobicContact CB-CG 3.94Å; N294-E297 VanDerWaalsContact ND2-CD 3.3Å; N294-E297 PolarHBondContact ND2-OE1 3.01Å; N294-E297 PolarHBondContact ND2-OE2 2.75Å; N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 2.95Å | ||
| 295 | Y | 88.4 | Confident | 90.9 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.7 | -47.3 | -179.7 | 178.1 | -108.8 | 0 | 0 | 0 | 112.1 | W244 A298 A299 F319 | W244-Y295 AromaticContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CG 4.24Å; W244-Y295 VanDerWaalsContact CE2-CB 3.46Å; W244-Y295 AromaticContact CE2-CD2 3.93Å; W244-Y295 AromaticContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CD2 3.43Å; W244-Y295 VanDerWaalsContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CE2 4.11Å; W244-Y295 HydrophobicContact CE3-CG 4.39Å; W244-Y295 HydrophobicContact CG-CD2 4.34Å; W244-Y295 AromaticContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CE2 4.45Å; W244-Y295 HydrophobicContact CH2-CG 4.22Å; W244-Y295 HydrophobicContact CZ2-CD2 4.01Å; W244-Y295 HydrophobicContact CZ2-CG 4.11Å; W244-Y295 AromaticContact CZ3-CD2 3.5Å; W244-Y295 HydrophobicContact CZ3-CD2 3.5Å; W244-Y295 VanDerWaalsContact CZ3-CD2 3.5Å; W244-Y295 AromaticContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CG 4.37Å; Y295-A298 WeakPolarHBondContact O-CB 3.28Å; Y295-A298 PolarHBondContact O-N 3.38Å; Y295-A298 VanDerWaalsContact O-N 3.16Å; Y295-A299 PolarHBondContact O-N 3.26Å; Y295-F319 HydrophobicContact CD2-CE1 4.15Å; Y295-F319 AromaticContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CE2-CE1 4.02Å; Y295-F319 AromaticContact CE2-CE2 3.85Å; Y295-F319 HydrophobicContact CE2-CE2 3.85Å; Y295-F319 AromaticContact CE2-CZ 3.44Å; Y295-F319 HydrophobicContact CE2-CZ 3.44Å; Y295-F319 VanDerWaalsContact CE2-CZ 3.44Å |
| 296 | E | 89.1 | Confident | 91.2 | Very high | 154 Ų | 154 | 47.5 Ų | 47.5 | 72% | 0.72 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | -175 | -63.4 | -178.6 | 168.4 | 0 | 0 | 110.7 | A298 A299 M300 | E296-A298 PolarHBondContact O-N 3.37Å; E296-A299 PolarHBondContact O-N 3.39Å; E296-M300 WeakPolarHBondContact O-CG 3.19Å; E296-M300 PolarHBondContact O-N 3.35Å |
| 297 | E | 90.5 | Very high | 91.3 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 171.6 | -68.8 | 176.5 | -167.7 | 0 | 0 | 112.1 | F267 G268 A269 M292 N294 A299 M300 A301 | F267-E297 WeakPolarHBondContact O-CB 3.35Å; F267-E297 VanDerWaalsContact O-CG 3.24Å; F267-E297 WeakPolarHBondContact O-CG 3.26Å; G268-E297 WeakPolarHBondContact CA-OE2 3.4Å; A269-E297 PolarHBondContact N-OE2 2.71Å; M292-E297 HydrophobicContact CE-CB 4.12Å; N294-E297 HydrophobicContact CB-CB 4.04Å; N294-E297 HydrophobicContact CB-CG 3.94Å; N294-E297 VanDerWaalsContact ND2-CD 3.3Å; N294-E297 PolarHBondContact ND2-OE1 3.01Å; N294-E297 PolarHBondContact ND2-OE2 2.75Å; E297-A299 PolarHBondContact O-N 2.96Å; E297-M300 HydrophobicContact CG-CE 4.5Å; E297-M300 PolarHBondContact O-N 3.15Å; E297-A301 WeakPolarHBondContact O-CB 3.22Å; E297-A301 PolarHBondContact O-N 3.19Å |
| 298 | A | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W244 I246 M292 N294 Y295 E296 A301 I302 F319 | W244-A298 HydrophobicContact CB-CB 4Å; I246-A298 HydrophobicContact CD1-CB 3.85Å; I246-A298 HydrophobicContact CG1-CB 4.29Å; M292-A298 HydrophobicContact CB-CB 4.15Å; M292-A298 HydrophobicContact CG-CB 4.47Å; M292-A298 HydrophobicContact SD-CB 4.09Å; N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 2.95Å; Y295-A298 WeakPolarHBondContact O-CB 3.28Å; Y295-A298 PolarHBondContact O-N 3.38Å; Y295-A298 VanDerWaalsContact O-N 3.16Å; E296-A298 PolarHBondContact O-N 3.37Å; A298-A301 PolarHBondContact O-N 3.48Å; A298-I302 WeakPolarHBondContact O-CD1 3.15Å; A298-I302 VanDerWaalsContact O-CG1 3.28Å; A298-I302 WeakPolarHBondContact O-CG1 3.18Å; A298-I302 PolarHBondContact O-N 2.91Å; A298-F319 HydrophobicContact CB-CE1 3.85Å; A298-F319 HydrophobicContact CB-CZ 4.18Å |
| 299 | A | 91 | Very high | 91.3 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y295 E296 E297 I302 A303 F319 | Y295-A299 PolarHBondContact O-N 3.26Å; E296-A299 PolarHBondContact O-N 3.39Å; E297-A299 PolarHBondContact O-N 2.96Å; A299-I302 PolarHBondContact O-N 3.44Å; A299-A303 WeakPolarHBondContact O-CB 3.39Å; A299-A303 PolarHBondContact O-N 3.11Å; A299-F319 HydrophobicContact CB-CE2 4.38Å; A299-F319 HydrophobicContact CB-CZ 4.15Å |
| 300 | M | 91.7 | Very high | 90.9 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.3 | -71.9 | -169.3 | -68.7 | 0 | 0 | 112.3 | F267 E296 E297 A303 S304 | F267-M300 HydrophobicContact CD1-CB 4.46Å; E296-M300 WeakPolarHBondContact O-CG 3.19Å; E296-M300 PolarHBondContact O-N 3.35Å; E297-M300 HydrophobicContact CG-CE 4.5Å; E297-M300 PolarHBondContact O-N 3.15Å; M300-A303 PolarHBondContact O-N 3.28Å; M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.7Å; M300-S304 PolarHBondContact O-OG 3.44Å |
| 301 | A | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | I246 F264 F267 M292 E297 A298 S304 L305 | I246-A301 HydrophobicContact CD1-CB 4.48Å; F264-A301 HydrophobicContact CD1-CB 3.82Å; F264-A301 HydrophobicContact CE1-CB 3.93Å; F267-A301 HydrophobicContact CB-CB 3.72Å; F267-A301 HydrophobicContact CD1-CB 4.21Å; F267-A301 HydrophobicContact CD2-CB 3.94Å; F267-A301 HydrophobicContact CG-CB 3.68Å; M292-A301 HydrophobicContact SD-CB 4.01Å; E297-A301 WeakPolarHBondContact O-CB 3.22Å; E297-A301 PolarHBondContact O-N 3.19Å; A298-A301 PolarHBondContact O-N 3.48Å; A301-S304 PolarHBondContact O-N 3.37Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CG 3.49Å; A301-L305 PolarHBondContact O-N 2.82Å |
| 302 | I | 94.1 | Very high | 90.2 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 175.4 | -72 | 160.4 | 0 | 0 | 0 | 110.8 | I246 A298 A299 S304 L305 N306 V317 F319 | I246-I302 HydrophobicContact CD1-CD1 4.48Å; I246-I302 HydrophobicContact CD1-CG1 4.29Å; I246-I302 HydrophobicContact CG1-CD1 4.21Å; I246-I302 HydrophobicContact CG1-CG1 4.38Å; I246-I302 HydrophobicContact CG2-CD1 4.29Å; I246-I302 HydrophobicContact CG2-CG1 3.86Å; A298-I302 WeakPolarHBondContact O-CD1 3.15Å; A298-I302 VanDerWaalsContact O-CG1 3.28Å; A298-I302 WeakPolarHBondContact O-CG1 3.18Å; A298-I302 PolarHBondContact O-N 2.91Å; A299-I302 PolarHBondContact O-N 3.44Å; I302-S304 PolarHBondContact O-N 3.16Å; I302-L305 PolarHBondContact O-N 3.47Å; I302-N306 WeakPolarHBondContact O-CB 3.36Å; I302-N306 PolarHBondContact O-N 2.8Å; I302-V317 HydrophobicContact CB-CG1 4.43Å; I302-V317 HydrophobicContact CG1-CG1 3.92Å; I302-V317 WeakPolarHBondContact CG2-O 3.44Å; I302-F319 HydrophobicContact CD1-CB 4.45Å; I302-F319 HydrophobicContact CD1-CD1 3.67Å; I302-F319 HydrophobicContact CD1-CD2 3.47Å; I302-F319 VanDerWaalsContact CD1-CD2 3.47Å; I302-F319 HydrophobicContact CD1-CE1 3.63Å; I302-F319 HydrophobicContact CD1-CE2 3.43Å; I302-F319 VanDerWaalsContact CD1-CE2 3.43Å; I302-F319 HydrophobicContact CD1-CG 3.6Å; I302-F319 HydrophobicContact CD1-CZ 3.52Å |
| 303 | A | 92.1 | Very high | 90.1 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 67% | 0.669 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.6 | -34 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | A299 M300 | A299-A303 WeakPolarHBondContact O-CB 3.39Å; A299-A303 PolarHBondContact O-N 3.11Å; M300-A303 PolarHBondContact O-N 3.28Å |
| 304 | S | 91.5 | Very high | 90.3 | Very high | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -86.8 | -33.2 | -177.1 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | F267 M300 A301 I302 | F267-S304 WeakPolarHBondContact CE1-OG 3.42Å; F267-S304 VanDerWaalsContact CZ-CB 3.46Å; M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.7Å; M300-S304 PolarHBondContact O-OG 3.44Å; A301-S304 PolarHBondContact O-N 3.37Å; I302-S304 PolarHBondContact O-N 3.16Å |
| 305 | L | 93.3 | Very high | 90.5 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -100.5 | -16.1 | -173.9 | -62.5 | 173.7 | 0 | 0 | 0 | 113.4 | M263 F264 F267 A301 I302 G307 Y308 V317 | M263-L305 HydrophobicContact CB-CD1 4.3Å; M263-L305 HydrophobicContact CB-CD2 4.43Å; F264-L305 HydrophobicContact CD1-CD1 3.95Å; F264-L305 HydrophobicContact CD2-CD1 3.81Å; F264-L305 HydrophobicContact CE1-CD1 3.73Å; F264-L305 HydrophobicContact CE2-CD1 3.61Å; F264-L305 HydrophobicContact CG-CD1 3.99Å; F264-L305 HydrophobicContact CZ-CD1 3.57Å; F267-L305 HydrophobicContact CD2-CD1 4.24Å; F267-L305 HydrophobicContact CE2-CD1 3.84Å; F267-L305 HydrophobicContact CE2-CD2 4.14Å; F267-L305 HydrophobicContact CE2-CG 3.91Å; F267-L305 HydrophobicContact CZ-CG 4.3Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CG 3.49Å; A301-L305 PolarHBondContact O-N 2.82Å; I302-L305 PolarHBondContact O-N 3.47Å; L305-G307 PolarHBondContact O-N 3.35Å; L305-Y308 HydrophobicContact CD2-CG 4.43Å; L305-Y308 WeakPolarHBondContact O-CB 3.43Å; L305-Y308 PolarHBondContact O-N 3.34Å; L305-V317 HydrophobicContact CB-CG2 3.96Å; L305-V317 WeakPolarHBondContact O-CG2 3.45Å |
| 306 | N | 92.2 | Very high | 90.7 | Very high | 90 Ų | 90 | 71 Ų | 71 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 119.1 | 172.7 | -171.5 | 37.1 | 0 | 0 | 0 | 110 | I302 Q316 V317 | I302-N306 WeakPolarHBondContact O-CB 3.36Å; I302-N306 PolarHBondContact O-N 2.8Å; N306-Q316 WeakPolarHBondContact OD1-CA 3.36Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3Å; N306-V317 PolarHBondContact OD1-O 2.77Å |
| 307 | G | 90.1 | Very high | 91 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 2.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L305 L315 | L305-G307 PolarHBondContact O-N 3.35Å; G307-L315 WeakPolarHBondContact CA-O 3.44Å; G307-L315 PolarHBondContact N-O 3.48Å |
| 308 | Y | 91.6 | Very high | 91.1 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | trans | -67.3 | 136.1 | 178.2 | -175 | -98.5 | 0 | 0 | 0 | 111.6 | M263 L305 L310 I314 L315 | M263-Y308 HydrophobicContact SD-CD1 4.07Å; M263-Y308 HydrophobicContact SD-CE1 4.01Å; L305-Y308 HydrophobicContact CD2-CG 4.43Å; L305-Y308 WeakPolarHBondContact O-CB 3.43Å; L305-Y308 PolarHBondContact O-N 3.34Å; Y308-L310 HydrophobicContact CD1-CB 4.44Å; Y308-L310 HydrophobicContact CE1-CD1 4.39Å; Y308-I314 WeakPolarHBondContact O-CA 3.38Å; Y308-L315 HydrophobicContact CD1-CD1 4.2Å; Y308-L315 WeakPolarHBondContact O-CG 3.44Å; Y308-L315 PolarHBondContact O-N 2.97Å | ||
| 309 | R | 91.3 | Very high | 91.2 | Very high | 167 Ų | 167 | 66.9 Ų | 66.9 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.3 | 179.6 | -172.4 | 175.3 | 179.1 | 177.3 | 2.9 | 110.6 | G311 D312 K313 | R309-G311 VanDerWaalsContact CG-O 3.29Å; R309-G311 WeakPolarHBondContact CG-O 3.44Å; R309-G311 PolarHBondContact NE-O 3.48Å; R309-G311 VanDerWaalsContact NE-O 3.09Å; R309-D312 IonicContact NH2-OD1 2.85Å; R309-K313 CarbonylContact C-O 3.58Å; R309-K313 WeakPolarHBondContact CA-O 3.3Å |
| 310 | L | 85.7 | Confident | 91 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 96.9 | 174.3 | -170.9 | 68.5 | 0 | 0 | 0 | 109 | L251 I259 M263 Y308 D312 K313 L315 | L251-L310 HydrophobicContact CD2-CD2 4.48Å; I259-L310 HydrophobicContact CD1-CD1 4.38Å; I259-L310 HydrophobicContact CG1-CD1 4.12Å; I259-L310 HydrophobicContact CG1-CD2 4.3Å; M263-L310 HydrophobicContact CE-CD1 4.48Å; M263-L310 HydrophobicContact CE-CD2 3.88Å; M263-L310 HydrophobicContact SD-CD1 4.31Å; Y308-L310 HydrophobicContact CD1-CB 4.44Å; Y308-L310 HydrophobicContact CE1-CD1 4.39Å; L310-D312 PolarHBondContact O-N 3.46Å; L310-K313 PolarHBondContact N-O 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-L315 HydrophobicContact CB-CD1 4.13Å; L310-L315 HydrophobicContact CB-CD2 4.07Å; L310-L315 HydrophobicContact CB-CG 4.05Å; L310-L315 HydrophobicContact CD2-CD1 4.27Å; L310-L315 HydrophobicContact CD2-CD2 4.26Å |
| 311 | G | 84.1 | Confident | 90.4 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | -124.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R309 K313 | R309-G311 VanDerWaalsContact CG-O 3.29Å; R309-G311 WeakPolarHBondContact CG-O 3.44Å; R309-G311 PolarHBondContact NE-O 3.48Å; R309-G311 VanDerWaalsContact NE-O 3.09Å; G311-K313 VanDerWaalsContact C-N 3.33Å |
| 312 | D | 86.3 | Confident | 88.5 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 79% | 0.786 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.1 | 176.3 | -65.3 | -59.7 | 0 | 0 | 0 | 113.9 | R309 L310 | R309-D312 IonicContact NH2-OD1 2.85Å; L310-D312 PolarHBondContact O-N 3.46Å |
| 313 | K | 88.3 | Confident | 86.2 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.9 | -179.7 | -59.7 | -61 | -170.9 | 176 | 0 | 111.3 | N250 R309 L310 G311 | N250-K313 VanDerWaalsContact O-CB 3.29Å; N250-K313 WeakPolarHBondContact O-CB 3.12Å; R309-K313 CarbonylContact C-O 3.58Å; R309-K313 WeakPolarHBondContact CA-O 3.3Å; L310-K313 PolarHBondContact N-O 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; G311-K313 VanDerWaalsContact C-N 3.33Å |
| 314 | I | 91.8 | Very high | 83.8 | Confident | 96 Ų | 96 | 86 Ų | 86 | 49% | 0.492 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.7 | 173.7 | -62.1 | 174.8 | 0 | 0 | 0 | 107.1 | N250 Y308 | N250-I314 WeakPolarHBondContact CB-O 3.45Å; N250-I314 PolarHBondContact ND2-N 2.81Å; N250-I314 PolarHBondContact ND2-O 2.92Å; Y308-I314 WeakPolarHBondContact O-CA 3.38Å |
| 315 | L | 93.4 | Very high | 81.2 | Confident | 2 Ų | 2 | 91.3 Ų | 91.3 | 1% | 0.01 | 48% | 0.478 | C | S | . | . | trans | -69.3 | 140.6 | -176.6 | -57.8 | -173.2 | 0 | 0 | 0 | 110.6 | L251 M263 G307 Y308 L310 V317 | L251-L315 HydrophobicContact CD2-CD2 3.72Å; M263-L315 HydrophobicContact CE-CD1 3.84Å; M263-L315 HydrophobicContact SD-CD1 4.04Å; G307-L315 WeakPolarHBondContact CA-O 3.44Å; G307-L315 PolarHBondContact N-O 3.48Å; Y308-L315 HydrophobicContact CD1-CD1 4.2Å; Y308-L315 WeakPolarHBondContact O-CG 3.44Å; Y308-L315 PolarHBondContact O-N 2.97Å; L310-L315 HydrophobicContact CB-CD1 4.13Å; L310-L315 HydrophobicContact CB-CD2 4.07Å; L310-L315 HydrophobicContact CB-CG 4.05Å; L310-L315 HydrophobicContact CD2-CD1 4.27Å; L310-L315 HydrophobicContact CD2-CD2 4.26Å; L315-V317 HydrophobicContact CB-CG2 4.21Å | ||
| 316 | Q | 93.1 | Very high | 78.2 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.5 | 168.1 | -69.6 | -179.8 | -6.8 | 0 | 0 | 107.8 | I248 Y249 N306 | I248-Q316 CarbonylContact C-O 3.58Å; I248-Q316 WeakPolarHBondContact CA-O 3.28Å; Y249-Q316 PolarHBondContact N-O 3.37Å; Y249-Q316 PolarHBondContact O-N 3.13Å; N306-Q316 WeakPolarHBondContact OD1-CA 3.36Å |
| 317 | V | 94.8 | Very high | 77.5 | Confident | 2 Ų | 2 | 104.6 Ų | 104.6 | 1% | 0.012 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.2 | -174 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | I246 F247 I248 F264 I302 L305 N306 L315 | I246-V317 HydrophobicContact CG2-CG1 3.41Å; I246-V317 VanDerWaalsContact CG2-CG1 3.41Å; F247-V317 WeakPolarHBondContact O-CA 3.37Å; I248-V317 HydrophobicContact CG1-CG1 4.31Å; I248-V317 HydrophobicContact CG1-CG2 4.44Å; I248-V317 HydrophobicContact CG2-CG2 4.31Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 3.85Å; I302-V317 HydrophobicContact CB-CG1 4.43Å; I302-V317 HydrophobicContact CG1-CG1 3.92Å; I302-V317 WeakPolarHBondContact CG2-O 3.44Å; L305-V317 HydrophobicContact CB-CG2 3.96Å; L305-V317 WeakPolarHBondContact O-CG2 3.45Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3Å; N306-V317 PolarHBondContact OD1-O 2.77Å; L315-V317 HydrophobicContact CB-CG2 4.21Å |
| 318 | S | 92.2 | Very high | 76.8 | Confident | 53 Ų | 53 | 107.6 Ų | 107.6 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 162.7 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | I246 F247 K320 | I246-S318 CarbonylContact C-O 3.47Å; I246-S318 WeakPolarHBondContact CA-O 2.92Å; I246-S318 WeakPolarHBondContact CG2-O 3.44Å; F247-S318 PolarHBondContact N-O 3.11Å; F247-S318 PolarHBondContact O-N 3.13Å; S318-K320 PolarHBondContact O-N 2.84Å |
| 319 | F | 92.9 | Very high | 76 | Confident | 64 Ų | 64 | 107.3 Ų | 107.3 | 28% | 0.281 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139 | 169.3 | -75.3 | -68.8 | 0 | 0 | 0 | 110.2 | W244 Y295 A298 A299 I302 T321 | W244-F319 HydrophobicContact CB-CE1 4.34Å; Y295-F319 HydrophobicContact CD2-CE1 4.15Å; Y295-F319 AromaticContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CE2-CE1 4.02Å; Y295-F319 AromaticContact CE2-CE2 3.85Å; Y295-F319 HydrophobicContact CE2-CE2 3.85Å; Y295-F319 AromaticContact CE2-CZ 3.44Å; Y295-F319 HydrophobicContact CE2-CZ 3.44Å; Y295-F319 VanDerWaalsContact CE2-CZ 3.44Å; A298-F319 HydrophobicContact CB-CE1 3.85Å; A298-F319 HydrophobicContact CB-CZ 4.18Å; A299-F319 HydrophobicContact CB-CE2 4.38Å; A299-F319 HydrophobicContact CB-CZ 4.15Å; I302-F319 HydrophobicContact CD1-CB 4.45Å; I302-F319 HydrophobicContact CD1-CD1 3.67Å; I302-F319 HydrophobicContact CD1-CD2 3.47Å; I302-F319 VanDerWaalsContact CD1-CD2 3.47Å; I302-F319 HydrophobicContact CD1-CE1 3.63Å; I302-F319 HydrophobicContact CD1-CE2 3.43Å; I302-F319 VanDerWaalsContact CD1-CE2 3.43Å; I302-F319 HydrophobicContact CD1-CG 3.6Å; I302-F319 HydrophobicContact CD1-CZ 3.52Å; F319-T321 PolarHBondContact O-N 3.21Å |
| 320 | K | 86.4 | Confident | 75.1 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 45% | 0.452 | 54% | 0.537 | S | S | . | . | trans | -64.1 | 111.2 | 175.5 | -179.4 | -178.8 | 173.1 | -175.9 | 0 | 109.5 | C245 F289 S318 | C245-K320 HydrophobicContact CB-CB 4.04Å; C245-K320 HydrophobicContact CB-CD 4.08Å; C245-K320 VanDerWaalsContact O-CB 3.31Å; C245-K320 WeakPolarHBondContact O-CB 3.21Å; C245-K320 PolarHBondContact O-N 2.98Å; C245-K320 VanDerWaalsContact SG-CD 3.51Å; F289-K320 HydrophobicContact CD1-CD 4.2Å; F289-K320 HydrophobicContact CE1-CD 4.12Å; F289-K320 HydrophobicContact CE1-CG 4.45Å; S318-K320 PolarHBondContact O-N 2.84Å | ||
| 321 | T | 79.3 | Confident | 74.4 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 69% | 0.693 | 56% | 0.557 | S | S | * | * | trans | -78.2 | 125.3 | 172 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | F319 K323 | F319-T321 PolarHBondContact O-N 3.21Å; T321-K323 PolarHBondContact O-N 2.98Å | ||
| 322 | N | 54.8 | Low | 73.8 | Confident | 133 Ų | 133 | 111.1 Ų | 111.1 | 71% | 0.711 | 56% | 0.555 | S | S | * | * | trans | -71.5 | 112.7 | 164.2 | -76.1 | -26.9 | 0 | 0 | 0 | 107.8 | S324 | N322-S324 VanDerWaalsContact C-N 3.34Å; N322-S324 PolarHBondContact O-N 3.4Å | ||
| 323 | K | 45.5 | Very low | 72.9 | Confident | 183 Ų | 183 | 108.6 Ų | 108.6 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | trans | -68.4 | 95.9 | 170.3 | -76 | -172.9 | 177.2 | -179.3 | 0 | 108.3 | T321 H325 | T321-K323 PolarHBondContact O-N 2.98Å; K323-H325 PolarHBondContact O-N 2.97Å | ||
| 324 | S | 40.9 | Very low | 71.7 | Confident | 110 Ų | 110 | 109.7 Ų | 109.7 | 77% | 0.769 | 55% | 0.549 | S | S | * | . | trans | -67 | 106.6 | 159.9 | -58.2 | 0 | 0 | 0 | 0 | 106.8 | N322 K326 | N322-S324 VanDerWaalsContact C-N 3.34Å; N322-S324 PolarHBondContact O-N 3.4Å; S324-K326 PolarHBondContact O-N 3.23Å; S324-K326 VanDerWaalsContact O-N 3.16Å | ||
| 325 | H | 37.7 | Very low | 70.1 | Confident | 181 Ų | 181 | 110.8 Ų | 110.8 | 84% | 0.838 | 55% | 0.554 | S | S | * | * | trans | -60.3 | 117.9 | 168.6 | -95.8 | -94.3 | 0 | 0 | 0 | 107.6 | K323 | K323-H325 PolarHBondContact O-N 2.97Š| ||
| 326 | K | 29.8 | Very low | 67.9 | Low | 275 Ų | 275 | 120.7 Ų | 120.7 | 100% | 1.196 | 60% | 0.603 | S | S | * | * | trans | -85.6 | 0 | 172.2 | -162.9 | -177.6 | -176.1 | -172.8 | 0 | 109.4 | S324 | S324-K326 PolarHBondContact O-N 3.23Å; S324-K326 VanDerWaalsContact O-N 3.16Å |
Retrieved 326 of 326 residues in 209.8 ms
(Link to these results)