| 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 | 46.6 | Very low | 60 | Low | 234 Ų | 234 | 96.7 Ų | 96.7 | 100% | 1.153 | 46% | 0.463 | S | S | * | . | 0 | 97.7 | 0 | -94.7 | -178.5 | 166.4 | 0 | 0 | 107.5 | R3 | M1-R3 PolarHBondContact O-N 2.89Š| |||
| 2 | E | 53.2 | Low | 60.4 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | trans | -66 | 124.9 | 166.8 | -75.8 | 173.5 | 78.1 | 0 | 0 | 108.2 | S4 G23 E24 | E2-S4 PolarHBondContact O-N 3.07Å; E2-G23 WeakPolarHBondContact OE1-CA 3.27Å; E2-E24 PolarHBondContact OE1-N 3.03Å | ||
| 3 | R | 56.8 | Low | 60.4 | Low | 214 Ų | 214 | 98 Ų | 98 | 81% | 0.808 | 49% | 0.49 | S | S | * | . | trans | -86.4 | 114.1 | -178.3 | -73.6 | -177.7 | 177.5 | 167.7 | -0.5 | 108.2 | M1 F5 | M1-R3 PolarHBondContact O-N 2.89Å; R3-F5 WeakPolarHBondContact O-CD1 3.46Å | ||
| 4 | S | 63.4 | Low | 60.5 | Low | 54 Ų | 54 | 100.7 Ų | 100.7 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | trans | -67 | 132 | 163.6 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | E2 R21 | E2-S4 PolarHBondContact O-N 3.07Å; S4-R21 CarbonylContact C-O 3.6Å; S4-R21 WeakPolarHBondContact CA-O 3.34Å | ||
| 5 | F | 62.3 | Low | 60.4 | Low | 84 Ų | 84 | 96.7 Ų | 96.7 | 37% | 0.368 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.1 | 174.9 | 60.2 | -100.1 | 0 | 0 | 0 | 110.9 | R3 W7 F20 R21 | R3-F5 WeakPolarHBondContact O-CD1 3.46Å; F5-W7 AromaticContact CD2-CD1 3.83Å; F5-W7 AromaticContact CE2-CD1 3.75Å; F5-F20 CarbonylContact O-C 3.58Å; F5-F20 WeakPolarHBondContact O-CA 3.33Å; F5-R21 HydrophobicContact CD1-CB 3.94Å; F5-R21 HydrophobicContact CD2-CB 4.09Å; F5-R21 HydrophobicContact CE1-CB 3.57Å; F5-R21 HydrophobicContact CE1-CG 4.05Å; F5-R21 HydrophobicContact CE2-CB 3.69Å; F5-R21 HydrophobicContact CG-CB 4.2Å; F5-R21 HydrophobicContact CZ-CB 3.42Å; F5-R21 VanDerWaalsContact CZ-CB 3.42Å; F5-R21 HydrophobicContact CZ-CG 4.13Å; F5-R21 PolarHBondContact N-O 3.31Å; F5-R21 PolarHBondContact O-N 2.76Å |
| 6 | V | 62.7 | Low | 60.5 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 106.2 | L18 F20 L51 F56 | V6-L18 HydrophobicContact CG1-CD1 3.91Å; V6-L18 HydrophobicContact CG1-CD2 3.33Å; V6-L18 HydrophobicContact CG1-CG 4.05Å; V6-F20 HydrophobicContact CG1-CB 4.37Å; V6-F20 HydrophobicContact CG2-CB 3.98Å; V6-L51 HydrophobicContact CB-CD2 4.24Å; V6-L51 HydrophobicContact CG1-CD2 4.45Å; V6-L51 HydrophobicContact CG2-CD2 3.47Å; V6-L51 VanDerWaalsContact CG2-CD2 3.47Å; V6-F56 HydrophobicContact CG1-CZ 4.08Å |
| 7 | W | 61.9 | Low | 60.8 | Low | 127 Ų | 127 | 87.5 Ų | 87.5 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.2 | 179.1 | 75.1 | -69.2 | 0 | 0 | 0 | 109.8 | F5 S9 T19 | F5-W7 AromaticContact CD2-CD1 3.83Å; F5-W7 AromaticContact CE2-CD1 3.75Å; W7-S9 VanDerWaalsContact CE3-OG 3.3Å; W7-S9 WeakPolarHBondContact CH2-OG 3.24Å; W7-S9 WeakPolarHBondContact CZ3-OG 3.39Å; W7-T19 HydrophobicContact CZ2-CG2 4.32Å; W7-T19 PolarHBondContact N-O 2.92Å; W7-T19 PolarHBondContact O-N 3.49Å |
| 8 | L | 62.2 | Low | 61 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.7 | -172.3 | -163.8 | 160.7 | 0 | 0 | 0 | 106.1 | C16 L18 F56 V62 L67 | L8-C16 HydrophobicContact CD2-CB 3.75Å; L8-C16 HydrophobicContact CG-CB 4.41Å; L8-L18 HydrophobicContact CB-CD1 4.08Å; L8-L18 HydrophobicContact CB-CG 4.28Å; L8-L18 HydrophobicContact CD1-CD1 3.74Å; L8-L18 HydrophobicContact CG-CB 4.36Å; L8-L18 HydrophobicContact CG-CD1 4.03Å; L8-L18 HydrophobicContact CG-CG 4.33Å; L8-F56 HydrophobicContact CB-CD1 3.38Å; L8-F56 HydrophobicContact CB-CE1 3.24Å; L8-F56 HydrophobicContact CB-CG 4.47Å; L8-F56 HydrophobicContact CB-CZ 4.21Å; L8-F56 HydrophobicContact CD1-CD1 4.11Å; L8-F56 HydrophobicContact CD1-CE1 4.26Å; L8-F56 HydrophobicContact CD1-CG 4.5Å; L8-F56 HydrophobicContact CG-CD1 4.36Å; L8-F56 HydrophobicContact CG-CE1 4.39Å; L8-V62 HydrophobicContact CD1-CG2 4.03Å; L8-V62 HydrophobicContact CD2-CG2 3.58Å; L8-V62 HydrophobicContact CG-CG2 4.4Å; L8-L67 HydrophobicContact CD1-CD1 3.96Å |
| 9 | S | 62.8 | Low | 61.2 | Low | 25 Ų | 25 | 78.7 Ų | 78.7 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.8 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | W7 C16 N17 | W7-S9 VanDerWaalsContact CE3-OG 3.3Å; W7-S9 WeakPolarHBondContact CH2-OG 3.24Å; W7-S9 WeakPolarHBondContact CZ3-OG 3.39Å; S9-C16 CarbonylContact O-C 3.52Å; S9-C16 WeakPolarHBondContact O-CA 3.49Å; S9-N17 PolarHBondContact N-O 3.17Å; S9-N17 PolarHBondContact O-N 3.15Å |
| 10 | C | 64.1 | Low | 61.4 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 32% | 0.324 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130.7 | 160.7 | -45.4 | 0 | 0 | 0 | 0 | 108 | S15 L59 C61 | C10-S15 CarbonylContact C-O 3.49Å; C10-S15 VanDerWaalsContact CA-O 3.31Å; C10-S15 WeakPolarHBondContact CA-O 3.42Å; C10-L59 WeakPolarHBondContact SG-CB 3.44Å; C10-C61 HydrophobicContact CB-CB 3.65Å; C10-C61 WeakPolarHBondContact CB-SG 3.36Å; C10-C61 WeakPolarHBondContact SG-CB 3.23Å; C10-C61 CovalentContact SG-SG 2.02Å; C10-C61 PolarHBondContact SG-SG 3.28Å |
| 11 | L | 64.5 | Low | 61.5 | Low | 104 Ų | 104 | 76 Ų | 76 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -38.9 | 169.2 | -66.1 | 171.7 | 0 | 0 | 0 | 110 | S15 N17 | L11-S15 WeakPolarHBondContact CB-OG 3.03Å; L11-S15 PolarHBondContact N-O 3.37Å; L11-N17 HydrophobicContact CD1-CB 3.88Å; L11-N17 HydrophobicContact CG-CB 4.02Å |
| 12 | D | 64.6 | Low | 62.4 | Low | 118 Ų | 118 | 66.1 Ų | 66.1 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -178.8 | 175.5 | -70.3 | -83.6 | 0 | 0 | 0 | 110.8 | D14 S15 | D12-D14 PolarHBondContact O-N 3.39Å; D12-D14 VanDerWaalsContact O-N 3.07Å; D12-S15 WeakPolarHBondContact CB-OG 3.36Å; D12-S15 PolarHBondContact N-O 3.08Å; D12-S15 PolarHBondContact N-OG 2.84Å; D12-S15 PolarHBondContact O-N 2.9Å |
| 13 | S | 59.8 | Low | 63.2 | Low | 92 Ų | 92 | 61 Ų | 61 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.1 | -179.4 | -57 | 0 | 0 | 0 | 0 | 114.2 | ||
| 14 | D | 61.9 | Low | 63.5 | Low | 136 Ų | 136 | 59.2 Ų | 59.2 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 1.4 | -175.7 | -62.2 | -63.3 | 0 | 0 | 0 | 114 | D12 | D12-D14 PolarHBondContact O-N 3.39Å; D12-D14 VanDerWaalsContact O-N 3.07Å |
| 15 | S | 58.7 | Low | 63.3 | Low | 41 Ų | 41 | 59.2 Ų | 59.2 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.2 | -173.9 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | C10 L11 D12 | C10-S15 CarbonylContact C-O 3.49Å; C10-S15 VanDerWaalsContact CA-O 3.31Å; C10-S15 WeakPolarHBondContact CA-O 3.42Å; L11-S15 WeakPolarHBondContact CB-OG 3.03Å; L11-S15 PolarHBondContact N-O 3.37Å; D12-S15 WeakPolarHBondContact CB-OG 3.36Å; D12-S15 PolarHBondContact N-O 3.08Å; D12-S15 PolarHBondContact N-OG 2.84Å; D12-S15 PolarHBondContact O-N 2.9Å |
| 16 | C | 62.3 | Low | 63.4 | Low | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.7 | 174.1 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | L8 S9 C30 C61 C65 | L8-C16 HydrophobicContact CD2-CB 3.75Å; L8-C16 HydrophobicContact CG-CB 4.41Å; S9-C16 CarbonylContact O-C 3.52Å; S9-C16 WeakPolarHBondContact O-CA 3.49Å; C16-C30 CarbonylContact O-C 3.5Å; C16-C30 WeakPolarHBondContact O-CA 3.31Å; C16-C61 WeakPolarHBondContact SG-CB 3.49Å; C16-C61 PolarHBondContact SG-O 3.15Å; C16-C61 PolarHBondContact SG-SG 3.13Å; C16-C65 PolarHBondContact SG-SG 3.47Å |
| 17 | N | 65.6 | Low | 63.3 | Low | 29 Ų | 29 | 60.1 Ų | 60.1 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.1 | 160.6 | -148.3 | 8.1 | 0 | 0 | 0 | 108 | S9 L11 A29 C30 | S9-N17 PolarHBondContact N-O 3.17Å; S9-N17 PolarHBondContact O-N 3.15Å; L11-N17 HydrophobicContact CD1-CB 3.88Å; L11-N17 HydrophobicContact CG-CB 4.02Å; N17-A29 VanDerWaalsContact OD1-C 3.25Å; N17-A29 PolarHBondContact OD1-O 2.99Å; N17-C30 PolarHBondContact OD1-N 3.31Å |
| 18 | L | 65.5 | Low | 63.3 | Low | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.4 | 171.2 | -162.4 | 145.1 | 0 | 0 | 0 | 109.2 | V6 L8 F20 H28 A29 L35 F56 | V6-L18 HydrophobicContact CG1-CD1 3.91Å; V6-L18 HydrophobicContact CG1-CD2 3.33Å; V6-L18 HydrophobicContact CG1-CG 4.05Å; L8-L18 HydrophobicContact CB-CD1 4.08Å; L8-L18 HydrophobicContact CB-CG 4.28Å; L8-L18 HydrophobicContact CD1-CD1 3.74Å; L8-L18 HydrophobicContact CG-CB 4.36Å; L8-L18 HydrophobicContact CG-CD1 4.03Å; L8-L18 HydrophobicContact CG-CG 4.33Å; L18-F20 HydrophobicContact CD2-CB 4.35Å; L18-H28 CarbonylContact O-C 3.57Å; L18-H28 WeakPolarHBondContact O-CA 3.22Å; L18-A29 PolarHBondContact N-O 3.26Å; L18-A29 PolarHBondContact O-N 2.93Å; L18-L35 HydrophobicContact CB-CD1 4.42Å; L18-L35 HydrophobicContact CB-CD2 3.82Å; L18-L35 HydrophobicContact CB-CG 4.46Å; L18-L35 HydrophobicContact CD1-CD2 3.06Å; L18-L35 HydrophobicContact CD1-CG 4.35Å; L18-L35 HydrophobicContact CD2-CD1 3.23Å; L18-L35 HydrophobicContact CD2-CD2 3.26Å; L18-L35 HydrophobicContact CD2-CG 3.76Å; L18-L35 HydrophobicContact CG-CD1 4.22Å; L18-L35 HydrophobicContact CG-CD2 3.41Å; L18-L35 VanDerWaalsContact CG-CD2 3.41Å; L18-L35 HydrophobicContact CG-CG 4.3Å; L18-F56 HydrophobicContact CD1-CZ 4.21Å |
| 19 | T | 63.6 | Low | 63.2 | Low | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.6 | 177 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | W7 E26 S27 H28 | W7-T19 HydrophobicContact CZ2-CG2 4.32Å; W7-T19 PolarHBondContact N-O 2.92Å; W7-T19 PolarHBondContact O-N 3.49Å; T19-E26 HydrophobicContact CG2-CG 4.23Å; T19-S27 CarbonylContact C-O 3.58Å; T19-S27 VanDerWaalsContact CA-O 3.3Å; T19-S27 WeakPolarHBondContact CA-O 3.37Å; T19-H28 WeakPolarHBondContact CG2-CE1 3.49Å; T19-H28 VanDerWaalsContact CG2-ND1 3.32Å; T19-H28 WeakPolarHBondContact CG2-ND1 3.14Å; T19-H28 PolarHBondContact OG1-ND1 2.85Å |
| 20 | F | 65.6 | Low | 63 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.4 | 173.3 | 71.7 | -94.8 | 0 | 0 | 0 | 110.6 | F5 V6 L18 L22 V25 E26 S27 L35 L38 L39 Y42 | F5-F20 CarbonylContact O-C 3.58Å; F5-F20 WeakPolarHBondContact O-CA 3.33Å; V6-F20 HydrophobicContact CG1-CB 4.37Å; V6-F20 HydrophobicContact CG2-CB 3.98Å; L18-F20 HydrophobicContact CD2-CB 4.35Å; F20-L22 HydrophobicContact CD2-CB 4.46Å; F20-L22 HydrophobicContact CD2-CD1 3.94Å; F20-L22 HydrophobicContact CD2-CG 3.73Å; F20-L22 HydrophobicContact CE2-CD1 3.82Å; F20-L22 HydrophobicContact CE2-CG 4.05Å; F20-V25 HydrophobicContact CE2-CG1 4.25Å; F20-E26 WeakPolarHBondContact O-CA 3.33Å; F20-S27 VanDerWaalsContact CE1-CB 3.41Å; F20-S27 VanDerWaalsContact CZ-CB 3.43Å; F20-S27 PolarHBondContact N-O 3.39Å; F20-S27 PolarHBondContact O-N 3.12Å; F20-L35 HydrophobicContact CB-CD1 4.48Å; F20-L35 HydrophobicContact CD1-CD1 3.27Å; F20-L35 HydrophobicContact CE1-CD1 3.79Å; F20-L35 HydrophobicContact CG-CD1 4.24Å; F20-L38 HydrophobicContact CE1-CB 3.88Å; F20-L38 HydrophobicContact CE1-CD1 4.19Å; F20-L38 HydrophobicContact CZ-CB 4.06Å; F20-L39 HydrophobicContact CB-CD2 4.26Å; F20-L39 HydrophobicContact CD1-CD2 4.18Å; F20-L39 HydrophobicContact CD2-CD2 4.14Å; F20-L39 HydrophobicContact CE1-CD2 4.46Å; F20-L39 HydrophobicContact CE2-CD2 4.46Å; F20-L39 HydrophobicContact CG-CD2 3.95Å; F20-Y42 HydrophobicContact CZ-CD2 4.24Å |
| 21 | R | 63.5 | Low | 62.9 | Low | 100 Ų | 100 | 61.4 Ų | 61.4 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.3 | 166.7 | -169.6 | 176 | 176.7 | 170.4 | -2.3 | 109 | S4 F5 G23 V25 | S4-R21 CarbonylContact C-O 3.6Å; S4-R21 WeakPolarHBondContact CA-O 3.34Å; F5-R21 HydrophobicContact CD1-CB 3.94Å; F5-R21 HydrophobicContact CD2-CB 4.09Å; F5-R21 HydrophobicContact CE1-CB 3.57Å; F5-R21 HydrophobicContact CE1-CG 4.05Å; F5-R21 HydrophobicContact CE2-CB 3.69Å; F5-R21 HydrophobicContact CG-CB 4.2Å; F5-R21 HydrophobicContact CZ-CB 3.42Å; F5-R21 VanDerWaalsContact CZ-CB 3.42Å; F5-R21 HydrophobicContact CZ-CG 4.13Å; F5-R21 PolarHBondContact N-O 3.31Å; F5-R21 PolarHBondContact O-N 2.76Å; R21-G23 WeakPolarHBondContact CG-O 3.37Å; R21-G23 PolarHBondContact NE-O 3.41Å; R21-V25 CarbonylContact C-O 3.54Å; R21-V25 WeakPolarHBondContact CA-O 3.3Å |
| 22 | L | 65.9 | Low | 62.6 | Low | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 94.1 | 173 | -65.8 | 176.7 | 0 | 0 | 0 | 107.6 | F20 E24 V25 L39 L43 | F20-L22 HydrophobicContact CD2-CB 4.46Å; F20-L22 HydrophobicContact CD2-CD1 3.94Å; F20-L22 HydrophobicContact CD2-CG 3.73Å; F20-L22 HydrophobicContact CE2-CD1 3.82Å; F20-L22 HydrophobicContact CE2-CG 4.05Å; L22-E24 PolarHBondContact O-N 3.45Å; L22-E24 VanDerWaalsContact O-N 3.17Å; L22-V25 PolarHBondContact N-O 2.77Å; L22-V25 PolarHBondContact O-N 3.32Å; L22-L39 HydrophobicContact CD1-CD2 4.18Å; L22-L43 HydrophobicContact CD1-CD2 3.65Å; L22-L43 HydrophobicContact CD1-CG 4Å; L22-L43 HydrophobicContact CD2-CD2 3.6Å; L22-L43 HydrophobicContact CG-CD2 4.28Å |
| 23 | G | 68.8 | Low | 62.4 | Low | 17 Ų | 17 | 55.6 Ų | 55.6 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -116.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2 R21 | E2-G23 WeakPolarHBondContact OE1-CA 3.27Å; R21-G23 WeakPolarHBondContact CG-O 3.37Å; R21-G23 PolarHBondContact NE-O 3.41Å |
| 24 | E | 64.3 | Low | 62.3 | Low | 178 Ų | 178 | 56.2 Ų | 56.2 | 83% | 0.832 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.3 | 178.3 | -59.4 | -173.4 | 122.7 | 0 | 0 | 113.7 | E2 L22 | E2-E24 PolarHBondContact OE1-N 3.03Å; L22-E24 PolarHBondContact O-N 3.45Å; L22-E24 VanDerWaalsContact O-N 3.17Å |
| 25 | V | 59.8 | Low | 62.4 | Low | 54 Ų | 54 | 49.9 Ų | 49.9 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.8 | -178.2 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | F20 R21 L22 Y42 | F20-V25 HydrophobicContact CE2-CG1 4.25Å; R21-V25 CarbonylContact C-O 3.54Å; R21-V25 WeakPolarHBondContact CA-O 3.3Å; L22-V25 PolarHBondContact N-O 2.77Å; L22-V25 PolarHBondContact O-N 3.32Å; V25-Y42 HydrophobicContact CG1-CD1 4.45Å; V25-Y42 HydrophobicContact CG1-CE1 4.2Å; V25-Y42 HydrophobicContact CG2-CE1 4.39Å |
| 26 | E | 63.9 | Low | 62.5 | Low | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.2 | 165.4 | -173.3 | 169.8 | 155.6 | 0 | 0 | 109.6 | T19 F20 H28 | T19-E26 HydrophobicContact CG2-CG 4.23Å; F20-E26 WeakPolarHBondContact O-CA 3.33Å; E26-H28 IonicContact OE1-CE1 3.38Å; E26-H28 PolarHBondContact OE1-CE1 3.35Å; E26-H28 IonicContact OE1-NE2 3.55Å |
| 27 | S | 60 | Low | 62.5 | Low | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 148.9 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | T19 F20 | T19-S27 CarbonylContact C-O 3.58Å; T19-S27 VanDerWaalsContact CA-O 3.3Å; T19-S27 WeakPolarHBondContact CA-O 3.37Å; F20-S27 VanDerWaalsContact CE1-CB 3.41Å; F20-S27 VanDerWaalsContact CZ-CB 3.43Å; F20-S27 PolarHBondContact N-O 3.39Å; F20-S27 PolarHBondContact O-N 3.12Å |
| 28 | H | 61.1 | Low | 62.3 | Low | 102 Ų | 102 | 57.1 Ų | 57.1 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.9 | -179.1 | -50.2 | -86 | 0 | 0 | 0 | 109.2 | L18 T19 E26 | L18-H28 CarbonylContact O-C 3.57Å; L18-H28 WeakPolarHBondContact O-CA 3.22Å; T19-H28 WeakPolarHBondContact CG2-CE1 3.49Å; T19-H28 VanDerWaalsContact CG2-ND1 3.32Å; T19-H28 WeakPolarHBondContact CG2-ND1 3.14Å; T19-H28 PolarHBondContact OG1-ND1 2.85Å; E26-H28 IonicContact OE1-CE1 3.38Å; E26-H28 PolarHBondContact OE1-CE1 3.35Å; E26-H28 IonicContact OE1-NE2 3.55Å |
| 29 | A | 60.8 | Low | 62.3 | Low | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N17 L18 S31 L34 L35 L38 | N17-A29 VanDerWaalsContact OD1-C 3.25Å; N17-A29 PolarHBondContact OD1-O 2.99Å; L18-A29 PolarHBondContact N-O 3.26Å; L18-A29 PolarHBondContact O-N 2.93Å; A29-S31 PolarHBondContact O-N 2.98Å; A29-L34 HydrophobicContact CB-CB 4.34Å; A29-L35 HydrophobicContact CB-CB 3.93Å; A29-L38 HydrophobicContact CB-CD1 4.41Å |
| 30 | C | 58.9 | Low | 62.2 | Low | 99 Ų | 99 | 60.6 Ų | 60.6 | 67% | 0.669 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -76.3 | 4.7 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 113.4 | C16 N17 | C16-C30 CarbonylContact O-C 3.5Å; C16-C30 WeakPolarHBondContact O-CA 3.31Å; N17-C30 PolarHBondContact OD1-N 3.31Å |
| 31 | S | 61.1 | Low | 62.2 | Low | 38 Ų | 38 | 67.7 Ų | 67.7 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -140.3 | 130.2 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | A29 S33 L34 L35 | A29-S31 PolarHBondContact O-N 2.98Å; S31-S33 PolarHBondContact O-N 2.73Å; S31-S33 PolarHBondContact OG-N 3.06Å; S31-L34 PolarHBondContact O-N 3.45Å; S31-L34 VanDerWaalsContact O-N 3.14Å; S31-L35 PolarHBondContact O-N 2.8Å |
| 32 | P | 59.2 | Low | 62.1 | Low | 21 Ų | 21 | 69 Ų | 69 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.2 | -32.6 | 173.8 | -23.5 | 32.1 | 0 | 0 | 0 | 113.1 | W36 C65 L67 | P32-W36 WeakPolarHBondContact O-CB 3.32Å; P32-W36 PolarHBondContact O-N 3.46Å; P32-C65 HydrophobicContact CB-CB 4.48Å; P32-C65 HydrophobicContact CG-CB 3.32Å; P32-C65 WeakPolarHBondContact CG-SG 3.47Å; P32-L67 HydrophobicContact CB-CD2 3.95Å; P32-L67 HydrophobicContact CB-CG 4.4Å |
| 33 | S | 59.4 | Low | 61.9 | Low | 78 Ų | 78 | 68.9 Ų | 68.9 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 178.8 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | S31 W36 N37 | S31-S33 PolarHBondContact O-N 2.73Å; S31-S33 PolarHBondContact OG-N 3.06Å; S33-W36 PolarHBondContact O-N 3.35Å; S33-N37 PolarHBondContact O-N 3.05Å; S33-N37 VanDerWaalsContact O-N 3.12Å; S33-N37 PolarHBondContact O-ND2 2.89Å |
| 34 | L | 59.6 | Low | 61.4 | Low | 105 Ų | 105 | 72.3 Ų | 72.3 | 55% | 0.55 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 174.7 | -76.4 | 172.9 | 0 | 0 | 0 | 110.9 | A29 S31 W36 N37 L38 | A29-L34 HydrophobicContact CB-CB 4.34Å; S31-L34 PolarHBondContact O-N 3.45Å; S31-L34 VanDerWaalsContact O-N 3.14Å; L34-W36 PolarHBondContact O-N 3.42Å; L34-N37 PolarHBondContact O-N 3.17Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.04Å |
| 35 | L | 63.3 | Low | 61.1 | Low | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 172.9 | 174.8 | 74.3 | 0 | 0 | 0 | 111.7 | L18 F20 A29 S31 N37 L38 L39 | L18-L35 HydrophobicContact CB-CD1 4.42Å; L18-L35 HydrophobicContact CB-CD2 3.82Å; L18-L35 HydrophobicContact CB-CG 4.46Å; L18-L35 HydrophobicContact CD1-CD2 3.06Å; L18-L35 HydrophobicContact CD1-CG 4.35Å; L18-L35 HydrophobicContact CD2-CD1 3.23Å; L18-L35 HydrophobicContact CD2-CD2 3.26Å; L18-L35 HydrophobicContact CD2-CG 3.76Å; L18-L35 HydrophobicContact CG-CD1 4.22Å; L18-L35 HydrophobicContact CG-CD2 3.41Å; L18-L35 VanDerWaalsContact CG-CD2 3.41Å; L18-L35 HydrophobicContact CG-CG 4.3Å; F20-L35 HydrophobicContact CB-CD1 4.48Å; F20-L35 HydrophobicContact CD1-CD1 3.27Å; F20-L35 HydrophobicContact CE1-CD1 3.79Å; F20-L35 HydrophobicContact CG-CD1 4.24Å; A29-L35 HydrophobicContact CB-CB 3.93Å; S31-L35 PolarHBondContact O-N 2.8Å; L35-N37 PolarHBondContact O-N 3.3Å; L35-L38 CarbonylContact O-C 3.47Å; L35-L38 PolarHBondContact O-N 2.8Å; L35-L39 HydrophobicContact CD1-CD1 3.85Å; L35-L39 HydrophobicContact CD1-CD2 4.47Å; L35-L39 HydrophobicContact CD1-CG 3.9Å; L35-L39 HydrophobicContact CD2-CD1 3.87Å; L35-L39 HydrophobicContact CG-CD1 3.58Å; L35-L39 HydrophobicContact CG-CG 4Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.21Å |
| 36 | W | 61.1 | Low | 60.9 | Low | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.4 | -43.9 | -179.2 | -178.3 | -102.8 | 0 | 0 | 0 | 110.8 | P32 S33 L34 L38 L39 T40 L51 | P32-W36 WeakPolarHBondContact O-CB 3.32Å; P32-W36 PolarHBondContact O-N 3.46Å; S33-W36 PolarHBondContact O-N 3.35Å; L34-W36 PolarHBondContact O-N 3.42Å; W36-L38 VanDerWaalsContact C-N 3.35Å; W36-L38 PolarHBondContact O-N 3.2Å; W36-L39 PolarHBondContact O-N 2.86Å; W36-T40 HydrophobicContact CD2-CG2 4.36Å; W36-T40 HydrophobicContact CZ2-CG2 4.28Å; W36-T40 WeakPolarHBondContact O-CG2 3.46Å; W36-T40 PolarHBondContact O-N 2.94Å; W36-T40 PolarHBondContact O-OG1 3.19Å; W36-T40 VanDerWaalsContact O-OG1 3.13Å; W36-L51 HydrophobicContact CZ3-CD1 4.1Å |
| 37 | N | 61.9 | Low | 60.5 | Low | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 174.8 | -77.8 | -63.9 | 0 | 0 | 0 | 113.5 | S33 L34 L35 T40 Q41 | S33-N37 PolarHBondContact O-N 3.05Å; S33-N37 VanDerWaalsContact O-N 3.12Å; S33-N37 PolarHBondContact O-ND2 2.89Å; L34-N37 PolarHBondContact O-N 3.17Å; L35-N37 PolarHBondContact O-N 3.3Å; N37-T40 WeakPolarHBondContact CA-OG1 3.34Å; N37-T40 PolarHBondContact O-OG1 2.96Å; N37-T40 VanDerWaalsContact O-OG1 3.07Å; N37-Q41 VanDerWaalsContact O-CG 3.27Å; N37-Q41 WeakPolarHBondContact O-CG 3.31Å; N37-Q41 PolarHBondContact O-N 2.82Å; N37-Q41 PolarHBondContact O-NE2 3.32Å |
| 38 | L | 62.1 | Low | 60.1 | Low | 44 Ų | 44 | 65.2 Ų | 65.2 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 174.9 | -72.8 | 167.9 | 0 | 0 | 0 | 110.4 | F20 A29 L34 L35 W36 T40 Q41 Y42 | F20-L38 HydrophobicContact CE1-CB 3.88Å; F20-L38 HydrophobicContact CE1-CD1 4.19Å; F20-L38 HydrophobicContact CZ-CB 4.06Å; A29-L38 HydrophobicContact CB-CD1 4.41Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.04Å; L35-L38 CarbonylContact O-C 3.47Å; L35-L38 PolarHBondContact O-N 2.8Å; W36-L38 VanDerWaalsContact C-N 3.35Å; W36-L38 PolarHBondContact O-N 3.2Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 3.14Å; L38-Q41 PolarHBondContact O-N 3.48Å; L38-Q41 VanDerWaalsContact O-N 3.08Å; L38-Y42 HydrophobicContact CD2-CE2 4.12Å; L38-Y42 VanDerWaalsContact O-CD2 3.24Å; L38-Y42 WeakPolarHBondContact O-CD2 3.4Å; L38-Y42 PolarHBondContact O-N 3.08Å |
| 39 | L | 63.9 | Low | 59.5 | Low | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.5 | -70.4 | 174.6 | 0 | 0 | 0 | 111.3 | F20 L22 L35 W36 Q41 Y42 L43 L51 | F20-L39 HydrophobicContact CB-CD2 4.26Å; F20-L39 HydrophobicContact CD1-CD2 4.18Å; F20-L39 HydrophobicContact CD2-CD2 4.14Å; F20-L39 HydrophobicContact CE1-CD2 4.46Å; F20-L39 HydrophobicContact CE2-CD2 4.46Å; F20-L39 HydrophobicContact CG-CD2 3.95Å; L22-L39 HydrophobicContact CD1-CD2 4.18Å; L35-L39 HydrophobicContact CD1-CD1 3.85Å; L35-L39 HydrophobicContact CD1-CD2 4.47Å; L35-L39 HydrophobicContact CD1-CG 3.9Å; L35-L39 HydrophobicContact CD2-CD1 3.87Å; L35-L39 HydrophobicContact CG-CD1 3.58Å; L35-L39 HydrophobicContact CG-CG 4Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.21Å; W36-L39 PolarHBondContact O-N 2.86Å; L39-Q41 VanDerWaalsContact C-N 3.26Å; L39-Q41 PolarHBondContact O-N 3.02Å; L39-Y42 PolarHBondContact O-N 3.37Å; L39-L43 HydrophobicContact CB-CD1 4Å; L39-L43 HydrophobicContact CD2-CD1 4.11Å; L39-L43 HydrophobicContact CD2-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CA 3.38Å; L39-L43 WeakPolarHBondContact O-CB 3.17Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 2.79Å; L39-L43 PolarHBondContact O-N 2.9Å; L39-L51 HydrophobicContact CB-CD1 4.38Å; L39-L51 HydrophobicContact CD1-CD1 3.64Å; L39-L51 HydrophobicContact CD1-CD2 3.82Å; L39-L51 HydrophobicContact CD1-CG 4.39Å |
| 40 | T | 62.3 | Low | 59 | Low | 77 Ų | 77 | 70.3 Ų | 70.3 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.8 | -23.1 | 175.5 | 55 | 0 | 0 | 0 | 0 | 113.5 | W36 N37 L38 | W36-T40 HydrophobicContact CD2-CG2 4.36Å; W36-T40 HydrophobicContact CZ2-CG2 4.28Å; W36-T40 WeakPolarHBondContact O-CG2 3.46Å; W36-T40 PolarHBondContact O-N 2.94Å; W36-T40 PolarHBondContact O-OG1 3.19Å; W36-T40 VanDerWaalsContact O-OG1 3.13Å; N37-T40 WeakPolarHBondContact CA-OG1 3.34Å; N37-T40 PolarHBondContact O-OG1 2.96Å; N37-T40 VanDerWaalsContact O-OG1 3.07Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 3.14Å |
| 41 | Q | 64.5 | Low | 58.6 | Low | 148 Ų | 148 | 67.5 Ų | 67.5 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -82 | -36.2 | 174.1 | -76.2 | 174.5 | 86.3 | 0 | 0 | 112.8 | N37 L38 L39 | N37-Q41 VanDerWaalsContact O-CG 3.27Å; N37-Q41 WeakPolarHBondContact O-CG 3.31Å; N37-Q41 PolarHBondContact O-N 2.82Å; N37-Q41 PolarHBondContact O-NE2 3.32Å; L38-Q41 PolarHBondContact O-N 3.48Å; L38-Q41 VanDerWaalsContact O-N 3.08Å; L39-Q41 VanDerWaalsContact C-N 3.26Å; L39-Q41 PolarHBondContact O-N 3.02Å |
| 42 | Y | 62.4 | Low | 57.9 | Low | 128 Ų | 128 | 74.5 Ų | 74.5 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -94.8 | -22.7 | -176.8 | -76.8 | -78.8 | 0 | 0 | 0 | 114 | F20 V25 L38 L39 | F20-Y42 HydrophobicContact CZ-CD2 4.24Å; V25-Y42 HydrophobicContact CG1-CD1 4.45Å; V25-Y42 HydrophobicContact CG1-CE1 4.2Å; V25-Y42 HydrophobicContact CG2-CE1 4.39Å; L38-Y42 HydrophobicContact CD2-CE2 4.12Å; L38-Y42 VanDerWaalsContact O-CD2 3.24Å; L38-Y42 WeakPolarHBondContact O-CD2 3.4Å; L38-Y42 PolarHBondContact O-N 3.08Å; L39-Y42 PolarHBondContact O-N 3.37Å |
| 43 | L | 61.1 | Low | 57.2 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -92.4 | 128.8 | 178.4 | -66.5 | 176.5 | 0 | 0 | 0 | 110.3 | L22 L39 A47 L51 | L22-L43 HydrophobicContact CD1-CD2 3.65Å; L22-L43 HydrophobicContact CD1-CG 4Å; L22-L43 HydrophobicContact CD2-CD2 3.6Å; L22-L43 HydrophobicContact CG-CD2 4.28Å; L39-L43 HydrophobicContact CB-CD1 4Å; L39-L43 HydrophobicContact CD2-CD1 4.11Å; L39-L43 HydrophobicContact CD2-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CA 3.38Å; L39-L43 WeakPolarHBondContact O-CB 3.17Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 2.79Å; L39-L43 PolarHBondContact O-N 2.9Å; L43-A47 HydrophobicContact CB-CB 4Å; L43-A47 HydrophobicContact CD2-CB 4.06Å; L43-A47 HydrophobicContact CG-CB 4.46Å; L43-L51 HydrophobicContact CD1-CD1 3.94Å; L43-L51 HydrophobicContact CD1-CG 4.31Å |
| 44 | P | 59 | Low | 56.4 | Low | 88 Ų | 88 | 83.2 Ų | 83.2 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 149.3 | 172.9 | 23.9 | -31.3 | 0 | 0 | 0 | 110.5 | G46 A47 | P44-G46 PolarHBondContact O-N 2.69Å; P44-A47 HydrophobicContact CG-CB 4.11Å; P44-A47 WeakPolarHBondContact O-CB 3.02Å; P44-A47 PolarHBondContact O-N 3.38Å |
| 45 | P | 57.4 | Low | 55.7 | Low | 121 Ų | 121 | 84.6 Ų | 84.6 | 79% | 0.786 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 120.5 | 175.2 | 19.6 | -30.1 | 0 | 0 | 0 | 109.4 | M72 | P45-M72 HydrophobicContact CB-CE 3.59Š|
| 46 | G | 56.1 | Low | 54.8 | Low | 41 Ų | 41 | 86.3 Ų | 86.3 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.1 | -14.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P44 G48 H49 | P44-G46 PolarHBondContact O-N 2.69Å; G46-G48 PolarHBondContact O-N 3.48Å; G46-H49 PolarHBondContact O-CE1 2.85Å; G46-H49 PolarHBondContact O-ND1 2.8Å |
| 47 | A | 55 | Low | 53.9 | Low | 10 Ų | 10 | 86.1 Ų | 86.1 | 8% | 0.083 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -79 | 4.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L43 P44 H49 I50 | L43-A47 HydrophobicContact CB-CB 4Å; L43-A47 HydrophobicContact CD2-CB 4.06Å; L43-A47 HydrophobicContact CG-CB 4.46Å; P44-A47 HydrophobicContact CG-CB 4.11Å; P44-A47 WeakPolarHBondContact O-CB 3.02Å; P44-A47 PolarHBondContact O-N 3.38Å; A47-H49 PolarHBondContact O-N 2.84Å; A47-H49 VanDerWaalsContact O-N 3.08Å; A47-I50 HydrophobicContact CB-CD1 4.12Å; A47-I50 WeakPolarHBondContact O-CB 3.11Å; A47-I50 WeakPolarHBondContact O-CG1 3.48Å; A47-I50 PolarHBondContact O-N 3.38Å |
| 48 | G | 52 | Low | 53.3 | Low | 46 Ų | 46 | 88.4 Ų | 88.4 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -57.6 | -21.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | G46 I50 L51 | G46-G48 PolarHBondContact O-N 3.48Å; G48-I50 PolarHBondContact O-N 2.94Å; G48-L51 PolarHBondContact O-N 3.28Å |
| 49 | H | 48.7 | Very low | 52.5 | Low | 131 Ų | 131 | 89.9 Ų | 89.9 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -67.6 | -19.2 | 175.2 | 69.4 | -89.8 | 0 | 0 | 0 | 114.1 | G46 A47 L51 | G46-H49 PolarHBondContact O-CE1 2.85Å; G46-H49 PolarHBondContact O-ND1 2.8Å; A47-H49 PolarHBondContact O-N 2.84Å; A47-H49 VanDerWaalsContact O-N 3.08Å; H49-L51 PolarHBondContact O-N 2.73Å |
| 50 | I | 49.8 | Very low | 51.6 | Low | 82 Ų | 82 | 94 Ų | 94 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -70.5 | -26.5 | 176.2 | -58.9 | 178.6 | 0 | 0 | 0 | 110 | A47 G48 R52 | A47-I50 HydrophobicContact CB-CD1 4.12Å; A47-I50 WeakPolarHBondContact O-CB 3.11Å; A47-I50 WeakPolarHBondContact O-CG1 3.48Å; A47-I50 PolarHBondContact O-N 3.38Å; G48-I50 PolarHBondContact O-N 2.94Å; I50-R52 VanDerWaalsContact C-N 3.27Å; I50-R52 PolarHBondContact O-N 2.85Å; I50-R52 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 50.2 | Low | 50.7 | Low | 40 Ų | 40 | 90.4 Ų | 90.4 | 21% | 0.209 | 49% | 0.488 | C | S | . | . | trans | -88.9 | 59.8 | 179.8 | -54 | 172.3 | 0 | 0 | 0 | 110.6 | V6 W36 L39 L43 G48 H49 T53 | V6-L51 HydrophobicContact CB-CD2 4.24Å; V6-L51 HydrophobicContact CG1-CD2 4.45Å; V6-L51 HydrophobicContact CG2-CD2 3.47Å; V6-L51 VanDerWaalsContact CG2-CD2 3.47Å; W36-L51 HydrophobicContact CZ3-CD1 4.1Å; L39-L51 HydrophobicContact CB-CD1 4.38Å; L39-L51 HydrophobicContact CD1-CD1 3.64Å; L39-L51 HydrophobicContact CD1-CD2 3.82Å; L39-L51 HydrophobicContact CD1-CG 4.39Å; L43-L51 HydrophobicContact CD1-CD1 3.94Å; L43-L51 HydrophobicContact CD1-CG 4.31Å; G48-L51 PolarHBondContact O-N 3.28Å; H49-L51 PolarHBondContact O-N 2.73Å; L51-T53 PolarHBondContact O-N 2.82Å | ||
| 52 | R | 46.4 | Very low | 50 | Low | 185 Ų | 185 | 84.6 Ų | 84.6 | 70% | 0.698 | 46% | 0.462 | S | S | * | . | trans | -70.5 | 113.3 | 167.4 | -75.6 | -171.9 | -177.8 | -170.2 | 0.6 | 108.3 | I50 Y54 | I50-R52 VanDerWaalsContact C-N 3.27Å; I50-R52 PolarHBondContact O-N 2.85Å; I50-R52 VanDerWaalsContact O-N 3.09Å; R52-Y54 HydrophobicContact CB-CD2 4.27Å; R52-Y54 PolarHBondContact O-N 3.49Å | ||
| 53 | T | 44.3 | Very low | 49.1 | Very low | 77 Ų | 77 | 82.5 Ų | 82.5 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -53.4 | -11.9 | 174.5 | 34.7 | 0 | 0 | 0 | 0 | 114.6 | L51 N55 F56 | L51-T53 PolarHBondContact O-N 2.82Å; T53-N55 PolarHBondContact O-N 2.86Å; T53-F56 PolarHBondContact O-N 2.82Å |
| 54 | Y | 42.6 | Very low | 48.1 | Very low | 206 Ų | 206 | 85.2 Ų | 85.2 | 81% | 0.808 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -68.4 | -7.2 | -178.1 | -69.6 | -81.7 | 0 | 0 | 0 | 115.9 | R52 | R52-Y54 HydrophobicContact CB-CD2 4.27Å; R52-Y54 PolarHBondContact O-N 3.49Å |
| 55 | N | 45 | Very low | 47.5 | Very low | 134 Ų | 134 | 81.8 Ų | 81.8 | 72% | 0.717 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -96.2 | 1.5 | 179.3 | -78.6 | -16.5 | 0 | 0 | 0 | 114.8 | T53 P57 | T53-N55 PolarHBondContact O-N 2.86Å; N55-P57 WeakPolarHBondContact O-CD 3.12Å |
| 56 | F | 44.9 | Very low | 46.8 | Very low | 40 Ų | 40 | 83.3 Ų | 83.3 | 18% | 0.175 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -101.2 | 98.2 | 176.7 | -60.4 | -65.9 | 0 | 0 | 0 | 109 | V6 L8 L18 T53 V58 V62 L67 | V6-F56 HydrophobicContact CG1-CZ 4.08Å; L8-F56 HydrophobicContact CB-CD1 3.38Å; L8-F56 HydrophobicContact CB-CE1 3.24Å; L8-F56 HydrophobicContact CB-CG 4.47Å; L8-F56 HydrophobicContact CB-CZ 4.21Å; L8-F56 HydrophobicContact CD1-CD1 4.11Å; L8-F56 HydrophobicContact CD1-CE1 4.26Å; L8-F56 HydrophobicContact CD1-CG 4.5Å; L8-F56 HydrophobicContact CG-CD1 4.36Å; L8-F56 HydrophobicContact CG-CE1 4.39Å; L18-F56 HydrophobicContact CD1-CZ 4.21Å; T53-F56 PolarHBondContact O-N 2.82Å; F56-V58 PolarHBondContact O-N 3.43Å; F56-V62 HydrophobicContact CB-CG1 4.4Å; F56-L67 HydrophobicContact CD2-CD1 4.1Å; F56-L67 HydrophobicContact CE2-CD1 4.23Å |
| 57 | P | 42.7 | Very low | 46.2 | Very low | 94 Ų | 94 | 83.9 Ų | 83.9 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | trans | -53.7 | 139.9 | 166.4 | 23.4 | -31.5 | 0 | 0 | 0 | 107.8 | N55 L59 | N55-P57 WeakPolarHBondContact O-CD 3.12Å; P57-L59 PolarHBondContact O-N 3.37Å | ||
| 58 | V | 49 | Very low | 45.4 | Very low | 135 Ų | 135 | 89.7 Ų | 89.7 | 82% | 0.818 | 48% | 0.483 | S | S | * | . | trans | -62.7 | 76.9 | -174.4 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | F56 | F56-V58 PolarHBondContact O-N 3.43Š| ||
| 59 | L | 46 | Very low | 44.8 | Very low | 74 Ų | 74 | 90.4 Ų | 90.4 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | trans | -79.8 | 141.4 | 172.3 | -67.3 | 161 | 0 | 0 | 0 | 106.9 | C10 P57 C61 V62 S63 | C10-L59 WeakPolarHBondContact SG-CB 3.44Å; P57-L59 PolarHBondContact O-N 3.37Å; L59-C61 PolarHBondContact O-N 3.4Å; L59-V62 HydrophobicContact CB-CG2 3.97Å; L59-V62 VanDerWaalsContact O-CA 3.31Å; L59-V62 WeakPolarHBondContact O-CA 3.34Å; L59-V62 VanDerWaalsContact O-CB 3.26Å; L59-V62 WeakPolarHBondContact O-CB 3.26Å; L59-V62 PolarHBondContact O-N 3.09Å; L59-S63 PolarHBondContact O-N 3.07Å; L59-S63 VanDerWaalsContact O-N 3.11Å | ||
| 60 | S | 43.7 | Very low | 44 | Very low | 93 Ų | 93 | 85.7 Ų | 85.7 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -50.6 | -35 | -179.7 | -31.1 | 0 | 0 | 0 | 0 | 112 | V62 S63 S64 | S60-V62 VanDerWaalsContact C-N 3.35Å; S60-V62 PolarHBondContact O-N 3.45Å; S60-S63 WeakPolarHBondContact O-CB 3.31Å; S60-S63 PolarHBondContact O-N 3.16Å; S60-S64 PolarHBondContact O-N 3.06Å |
| 61 | C | 45 | Very low | 43.1 | Very low | 1 Ų | 1 | 91.6 Ų | 91.6 | 1% | 0.007 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 175.6 | 81.6 | 0 | 0 | 0 | 0 | 112.2 | C10 C16 L59 S64 C65 | C10-C61 HydrophobicContact CB-CB 3.65Å; C10-C61 WeakPolarHBondContact CB-SG 3.36Å; C10-C61 WeakPolarHBondContact SG-CB 3.23Å; C10-C61 CovalentContact SG-SG 2.02Å; C10-C61 PolarHBondContact SG-SG 3.28Å; C16-C61 WeakPolarHBondContact SG-CB 3.49Å; C16-C61 PolarHBondContact SG-O 3.15Å; C16-C61 PolarHBondContact SG-SG 3.13Å; L59-C61 PolarHBondContact O-N 3.4Å; C61-S64 PolarHBondContact O-N 2.93Å; C61-C65 WeakPolarHBondContact O-CB 3.16Å; C61-C65 PolarHBondContact O-N 3.07Å; C61-C65 PolarHBondContact O-SG 2.74Å |
| 62 | V | 48.6 | Very low | 42.2 | Very low | 25 Ų | 25 | 95.6 Ų | 95.6 | 15% | 0.152 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -70.9 | -31.2 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L8 F56 L59 S60 S64 C65 | L8-V62 HydrophobicContact CD1-CG2 4.03Å; L8-V62 HydrophobicContact CD2-CG2 3.58Å; L8-V62 HydrophobicContact CG-CG2 4.4Å; F56-V62 HydrophobicContact CB-CG1 4.4Å; L59-V62 HydrophobicContact CB-CG2 3.97Å; L59-V62 VanDerWaalsContact O-CA 3.31Å; L59-V62 WeakPolarHBondContact O-CA 3.34Å; L59-V62 VanDerWaalsContact O-CB 3.26Å; L59-V62 WeakPolarHBondContact O-CB 3.26Å; L59-V62 PolarHBondContact O-N 3.09Å; S60-V62 VanDerWaalsContact C-N 3.35Å; S60-V62 PolarHBondContact O-N 3.45Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 3.19Å; V62-C65 CarbonylContact O-C 3.25Å; V62-C65 VanDerWaalsContact O-C 3.25Å; V62-C65 PolarHBondContact O-N 2.02Å; V62-C65 VanDerWaalsContact O-N 3.16Å |
| 63 | S | 44.6 | Very low | 41.4 | Very low | 84 Ų | 84 | 92.2 Ų | 92.2 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -35.5 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | L59 S60 | L59-S63 PolarHBondContact O-N 3.07Å; L59-S63 VanDerWaalsContact O-N 3.11Å; S60-S63 WeakPolarHBondContact O-CB 3.31Å; S60-S63 PolarHBondContact O-N 3.16Å |
| 64 | S | 40.1 | Very low | 40.7 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 58% | 0.58 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.4 | -22.3 | 173.7 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | S60 C61 V62 H66 | S60-S64 PolarHBondContact O-N 3.06Å; C61-S64 PolarHBondContact O-N 2.93Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 3.19Å; S64-H66 PolarHBondContact O-N 3.02Å |
| 65 | C | 44.7 | Very low | 40.3 | Very low | 16 Ų | 16 | 98.7 Ų | 98.7 | 11% | 0.108 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -92.7 | 82.4 | 174.1 | -76.3 | 0 | 0 | 0 | 0 | 110.2 | C16 P32 C61 V62 L67 | C16-C65 PolarHBondContact SG-SG 3.47Å; P32-C65 HydrophobicContact CB-CB 4.48Å; P32-C65 HydrophobicContact CG-CB 3.32Å; P32-C65 WeakPolarHBondContact CG-SG 3.47Å; C61-C65 WeakPolarHBondContact O-CB 3.16Å; C61-C65 PolarHBondContact O-N 3.07Å; C61-C65 PolarHBondContact O-SG 2.74Å; V62-C65 CarbonylContact O-C 3.25Å; V62-C65 VanDerWaalsContact O-C 3.25Å; V62-C65 PolarHBondContact O-N 2.02Å; V62-C65 VanDerWaalsContact O-N 3.16Å; C65-L67 PolarHBondContact O-N 3.18Å |
| 66 | H | 42.5 | Very low | 40 | Very low | 153 Ų | 153 | 97 Ų | 97 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | trans | -56.8 | 89.2 | 166.2 | -94 | -166.1 | 0 | 0 | 0 | 110 | S64 I68 | S64-H66 PolarHBondContact O-N 3.02Å; H66-I68 HydrophobicContact CB-CG1 4.13Å; H66-I68 PolarHBondContact O-N 3.34Å | ||
| 67 | L | 44.6 | Very low | 39.8 | Very low | 53 Ų | 53 | 99.9 Ų | 99.9 | 28% | 0.277 | 57% | 0.573 | S | S | . | * | trans | -70.6 | 81 | 159 | -77 | 167.8 | 0 | 0 | 0 | 105.8 | L8 P32 F56 C65 G69 | L8-L67 HydrophobicContact CD1-CD1 3.96Å; P32-L67 HydrophobicContact CB-CD2 3.95Å; P32-L67 HydrophobicContact CB-CG 4.4Å; F56-L67 HydrophobicContact CD2-CD1 4.1Å; F56-L67 HydrophobicContact CE2-CD1 4.23Å; C65-L67 PolarHBondContact O-N 3.18Å; L67-G69 PolarHBondContact O-N 3.11Å | ||
| 68 | I | 39 | Very low | 39.6 | Very low | 131 Ų | 131 | 100.3 Ų | 100.3 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | trans | -66.3 | 94.8 | 167.1 | -53 | 177.9 | 0 | 0 | 0 | 104.8 | H66 G70 | H66-I68 HydrophobicContact CB-CG1 4.13Å; H66-I68 PolarHBondContact O-N 3.34Å; I68-G70 PolarHBondContact O-N 2.67Å | ||
| 69 | G | 38.2 | Very low | 39.1 | Very low | 61 Ų | 61 | 98.2 Ų | 98.2 | 63% | 0.629 | 56% | 0.556 | S | S | * | * | trans | -57.2 | 94.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | L67 | L67-G69 PolarHBondContact O-N 3.11Š| ||
| 70 | G | 32.1 | Very low | 38.6 | Very low | 33 Ų | 33 | 99.8 Ų | 99.8 | 34% | 0.34 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 131.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I68 M72 | I68-G70 PolarHBondContact O-N 2.67Å; G70-M72 PolarHBondContact O-N 3.4Å |
| 71 | K | 30.7 | Very low | 38.3 | Very low | 206 Ų | 206 | 100.2 Ų | 100.2 | 90% | 0.896 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.7 | 159.1 | -98.2 | -177.5 | 170.5 | -177.3 | 0 | 107.8 | ||
| 72 | M | 31.2 | Very low | 37.8 | Very low | 123 Ų | 123 | 107.3 Ų | 107.3 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.7 | 167.1 | -166.7 | 164.1 | 178.4 | 0 | 0 | 107.5 | P45 G70 E74 | P45-M72 HydrophobicContact CB-CE 3.59Å; G70-M72 PolarHBondContact O-N 3.4Å; M72-E74 PolarHBondContact O-N 3.19Å |
| 73 | P | 30.4 | Very low | 37 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.2 | 171 | 24.4 | -29 | 0 | 0 | 0 | 107.6 | N75 | P73-N75 PolarHBondContact O-N 3.48Å; P73-N75 VanDerWaalsContact O-N 3.15Å |
| 74 | E | 28.9 | Very low | 36.4 | Very low | 196 Ų | 196 | 116.1 Ų | 116.1 | 92% | 0.916 | 64% | 0.639 | S | S | * | * | trans | -68.8 | 103.1 | 166.1 | -81.3 | 179.4 | 85.3 | 0 | 0 | 107.1 | M72 | M72-E74 PolarHBondContact O-N 3.19Š| ||
| 75 | N | 34.2 | Very low | 36 | Very low | 224 Ų | 224 | 119.1 Ų | 119.1 | 100% | 1.198 | 65% | 0.645 | S | S | * | * | trans | -147.4 | 0 | 163.7 | -144.2 | 97.3 | 0 | 0 | 0 | 111.2 | P73 | P73-N75 PolarHBondContact O-N 3.48Å; P73-N75 VanDerWaalsContact O-N 3.15Å |
Retrieved 75 of 75 residues in 131.9 ms
(Link to these results)