| 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 | 84.8 | Confident | 93 | Very high | 142 Ų | 142 | 71.4 Ų | 71.4 | 70% | 0.7 | 37% | 0.371 | S | S | * | . | 0 | -58.6 | 0 | -129.8 | 158.3 | 68.9 | 0 | 0 | 111.8 | T3 C4 Q5 L50 I54 | M1-T3 PolarHBondContact O-N 2.81Å; M1-C4 WeakPolarHBondContact O-CB 3.48Å; M1-C4 PolarHBondContact O-N 3.2Å; M1-C4 VanDerWaalsContact O-N 3.17Å; M1-Q5 PolarHBondContact O-N 3.08Å; M1-L50 HydrophobicContact CB-CD2 4.29Å; M1-L50 HydrophobicContact CE-CD1 3.57Å; M1-L50 HydrophobicContact CE-CD2 3.7Å; M1-L50 HydrophobicContact CE-CG 3.74Å; M1-L50 HydrophobicContact CG-CD1 3.89Å; M1-L50 HydrophobicContact CG-CD2 4.43Å; M1-L50 HydrophobicContact SD-CD1 4.26Å; M1-I54 HydrophobicContact CE-CD1 3.77Å; M1-I54 HydrophobicContact CE-CG1 4.31Å | |||
| 2 | I | 92.7 | Very high | 93.2 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.179 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -42 | -176.2 | -166.1 | 59.6 | 0 | 0 | 0 | 114.2 | C4 Q5 L6 I29 F43 A46 L47 | I2-C4 VanDerWaalsContact C-N 3.35Å; I2-C4 PolarHBondContact O-N 3.39Å; I2-Q5 PolarHBondContact O-N 3.29Å; I2-L6 HydrophobicContact CG1-CD1 4.27Å; I2-L6 VanDerWaalsContact O-CG 3.31Å; I2-L6 WeakPolarHBondContact O-CG 3.31Å; I2-L6 PolarHBondContact O-N 2.98Å; I2-I29 HydrophobicContact CG2-CD1 4.22Å; I2-F43 HydrophobicContact CG1-CE2 3.85Å; I2-F43 HydrophobicContact CG1-CZ 4.16Å; I2-A46 HydrophobicContact CD1-CB 3.98Å; I2-L47 HydrophobicContact CD1-CD2 3.73Å; I2-L47 HydrophobicContact CD1-CG 4.01Å |
| 3 | T | 93.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | M1 Q5 L6 L7 Y17 | M1-T3 PolarHBondContact O-N 2.81Å; T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-L6 PolarHBondContact O-N 3.36Å; T3-L7 VanDerWaalsContact O-CG 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å; T3-L7 PolarHBondContact O-N 3.3Å; T3-Y17 HydrophobicContact CG2-CD1 3.65Å; T3-Y17 HydrophobicContact CG2-CG 4.25Å |
| 4 | C | 94.2 | Very high | 93.5 | Very high | 80 Ų | 80 | 73.5 Ų | 73.5 | 54% | 0.541 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 173.2 | -56 | 0 | 0 | 0 | 0 | 110.9 | M1 I2 L7 K8 | M1-C4 WeakPolarHBondContact O-CB 3.48Å; M1-C4 PolarHBondContact O-N 3.2Å; M1-C4 VanDerWaalsContact O-N 3.17Å; I2-C4 VanDerWaalsContact C-N 3.35Å; I2-C4 PolarHBondContact O-N 3.39Å; C4-L7 PolarHBondContact O-N 2.93Å; C4-K8 PolarHBondContact O-N 3.19Å |
| 5 | Q | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 69.3 Ų | 69.3 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.8 | -168.9 | 60.3 | 26 | 0 | 0 | 111.8 | M1 I2 T3 L7 K8 A46 D49 | M1-Q5 PolarHBondContact O-N 3.08Å; I2-Q5 PolarHBondContact O-N 3.29Å; T3-Q5 VanDerWaalsContact C-N 3.34Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.01Å; Q5-K8 WeakPolarHBondContact O-CB 3.47Å; Q5-K8 PolarHBondContact O-N 3.12Å; Q5-K8 VanDerWaalsContact O-N 3.16Å; Q5-A46 HydrophobicContact CB-CB 4.33Å; Q5-A46 HydrophobicContact CG-CB 3.9Å; Q5-A46 WeakPolarHBondContact CG-O 3.29Å; Q5-D49 HydrophobicContact CG-CB 4.46Å |
| 6 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.1 | -72.1 | 165.8 | 0 | 0 | 0 | 112.1 | I2 T3 K8 D9 V12 A15 V31 V42 F43 A46 | I2-L6 HydrophobicContact CG1-CD1 4.27Å; I2-L6 VanDerWaalsContact O-CG 3.31Å; I2-L6 WeakPolarHBondContact O-CG 3.31Å; I2-L6 PolarHBondContact O-N 2.98Å; T3-L6 PolarHBondContact O-N 3.36Å; L6-K8 PolarHBondContact O-N 3.42Å; L6-D9 PolarHBondContact O-N 3.38Å; L6-D9 VanDerWaalsContact O-N 3.15Å; L6-V12 WeakPolarHBondContact O-CB 3.32Å; L6-V12 WeakPolarHBondContact O-CG2 3.32Å; L6-A15 HydrophobicContact CB-CB 3.62Å; L6-A15 HydrophobicContact CD1-CB 3.99Å; L6-A15 HydrophobicContact CG-CB 4.45Å; L6-V31 HydrophobicContact CD1-CG2 3.83Å; L6-V42 HydrophobicContact CD2-CG1 3.94Å; L6-F43 HydrophobicContact CD1-CD2 3.93Å; L6-F43 HydrophobicContact CD1-CE2 4.14Å; L6-F43 HydrophobicContact CD2-CD2 4.25Å; L6-A46 HydrophobicContact CD2-CB 3.69Å; L6-A46 HydrophobicContact CG-CB 4.02Å |
| 7 | L | 94.6 | Very high | 94 | Very high | 107 Ų | 107 | 71.2 Ų | 71.2 | 56% | 0.56 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.2 | -14.6 | 178.4 | -71 | 170.5 | 0 | 0 | 0 | 113.8 | T3 C4 Q5 D9 A15 | T3-L7 VanDerWaalsContact O-CG 3.29Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å; T3-L7 PolarHBondContact O-N 3.3Å; C4-L7 PolarHBondContact O-N 2.93Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-L7 PolarHBondContact O-N 3.01Å; L7-D9 VanDerWaalsContact C-N 3.32Å; L7-A15 HydrophobicContact CD2-CB 4.24Å; L7-A15 HydrophobicContact CG-CB 4.24Å |
| 8 | K | 93.3 | Very high | 94 | Very high | 126 Ų | 126 | 74.8 Ų | 74.8 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.9 | -23.7 | 171.6 | -66.5 | 177.5 | -172.5 | 169 | 0 | 112 | C4 Q5 L6 E53 | C4-K8 PolarHBondContact O-N 3.19Å; Q5-K8 WeakPolarHBondContact O-CB 3.47Å; Q5-K8 PolarHBondContact O-N 3.12Å; Q5-K8 VanDerWaalsContact O-N 3.16Å; L6-K8 PolarHBondContact O-N 3.42Å; K8-E53 IonicContact NZ-OE2 2.94Å |
| 9 | D | 93.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 73.9 Ų | 73.9 | 13% | 0.134 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -80.6 | 119.7 | -179 | -173.8 | -25.3 | 0 | 0 | 0 | 110.3 | L6 L7 R11 V12 V42 | L6-D9 PolarHBondContact O-N 3.38Å; L6-D9 VanDerWaalsContact O-N 3.15Å; L7-D9 VanDerWaalsContact C-N 3.32Å; D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 WeakPolarHBondContact OD1-CB 3.28Å; D9-R11 VanDerWaalsContact OD1-CG 3.26Å; D9-R11 WeakPolarHBondContact OD1-CG 3.31Å; D9-R11 IonicContact OD1-CZ 3.23Å; D9-R11 PolarHBondContact OD1-N 3.31Å; D9-R11 IonicContact OD1-NE 3.02Å; D9-R11 PolarHBondContact OD1-NE 2.93Å; D9-R11 IonicContact OD1-NH2 2.66Å; D9-R11 IonicContact OD2-CZ 3.74Å; D9-R11 VanDerWaalsContact OD2-CZ 3.23Å; D9-R11 IonicContact OD2-NE 3.93Å; D9-R11 PolarHBondContact OD2-NE 3.18Å; D9-R11 IonicContact OD2-NH2 3.87Å; D9-R11 PolarHBondContact OD2-NH2 2.96Å; D9-V12 HydrophobicContact CB-CG2 4Å; D9-V12 WeakPolarHBondContact O-CB 3.31Å; D9-V12 PolarHBondContact O-N 3.47Å; D9-V42 HydrophobicContact CB-CG1 4.26Å; D9-V42 WeakPolarHBondContact OD2-CG1 3.29Å |
| 10 | P | 93.4 | Very high | 94.2 | Very high | 125 Ų | 125 | 73.7 Ų | 73.7 | 81% | 0.812 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.6 | -178.5 | 27.1 | -35.9 | 0 | 0 | 0 | 113.8 | V12 | P10-V12 VanDerWaalsContact C-N 3.28Š|
| 11 | R | 93.5 | Very high | 94.2 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.2 | 176.8 | -55.8 | 172.3 | -64.5 | 179.1 | -1.4 | 112.3 | D9 T33 A34 A37 V42 | D9-R11 PolarHBondContact O-N 2.97Å; D9-R11 WeakPolarHBondContact OD1-CB 3.28Å; D9-R11 VanDerWaalsContact OD1-CG 3.26Å; D9-R11 WeakPolarHBondContact OD1-CG 3.31Å; D9-R11 IonicContact OD1-CZ 3.23Å; D9-R11 PolarHBondContact OD1-N 3.31Å; D9-R11 IonicContact OD1-NE 3.02Å; D9-R11 PolarHBondContact OD1-NE 2.93Å; D9-R11 IonicContact OD1-NH2 2.66Å; D9-R11 IonicContact OD2-CZ 3.74Å; D9-R11 VanDerWaalsContact OD2-CZ 3.23Å; D9-R11 IonicContact OD2-NE 3.93Å; D9-R11 PolarHBondContact OD2-NE 3.18Å; D9-R11 IonicContact OD2-NH2 3.87Å; D9-R11 PolarHBondContact OD2-NH2 2.96Å; R11-T33 WeakPolarHBondContact O-CA 3.32Å; R11-A34 PolarHBondContact O-N 3.01Å; R11-A37 HydrophobicContact CB-CB 4.15Å; R11-V42 HydrophobicContact CB-CG2 4.48Å |
| 12 | V | 95.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 73 Ų | 73 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.5 | -179.6 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L6 D9 P10 F14 A15 V31 T33 V42 | L6-V12 WeakPolarHBondContact O-CB 3.32Å; L6-V12 WeakPolarHBondContact O-CG2 3.32Å; D9-V12 HydrophobicContact CB-CG2 4Å; D9-V12 WeakPolarHBondContact O-CB 3.31Å; D9-V12 PolarHBondContact O-N 3.47Å; P10-V12 VanDerWaalsContact C-N 3.28Å; V12-F14 WeakPolarHBondContact CG1-O 3.45Å; V12-A15 HydrophobicContact CG1-CB 3.95Å; V12-V31 HydrophobicContact CG1-CG1 4.38Å; V12-T33 HydrophobicContact CG2-CG2 4.31Å; V12-V42 HydrophobicContact CG2-CB 4.4Å; V12-V42 HydrophobicContact CG2-CG1 3.32Å |
| 13 | L | 95.3 | Very high | 94.8 | Very high | 127 Ų | 127 | 78.5 Ų | 78.5 | 67% | 0.665 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -32.4 | 174.4 | -61.3 | 175.7 | 0 | 0 | 0 | 111.5 | H32 A34 | L13-H32 PolarHBondContact N-O 2.98Å; L13-A34 HydrophobicContact CD1-CB 4.16Å; L13-A34 HydrophobicContact CD2-CB 4.29Å; L13-A34 HydrophobicContact CG-CB 4.18Å |
| 14 | F | 95.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 83 Ų | 83 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 135.9 | 179.9 | 178.3 | -92 | 0 | 0 | 0 | 110.6 | V12 R30 V31 H32 | V12-F14 WeakPolarHBondContact CG1-O 3.45Å; F14-R30 HydrophobicContact CD1-CG 4.5Å; F14-R30 HydrophobicContact CE1-CB 4.21Å; F14-R30 HydrophobicContact CE1-CG 4.27Å; F14-V31 CarbonylContact O-C 3.52Å; F14-V31 VanDerWaalsContact O-CA 3.29Å; F14-V31 WeakPolarHBondContact O-CA 3.44Å; F14-H32 HydrophobicContact CB-CB 4.12Å; F14-H32 AromaticContact CD1-ND1 3.51Å; F14-H32 AromaticContact CG-ND1 3.87Å; F14-H32 PolarHBondContact N-O 3.32Å; F14-H32 VanDerWaalsContact N-O 3.15Å; F14-H32 PolarHBondContact O-N 3.04Å |
| 15 | A | 96.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 88.6 Ų | 88.6 | 8% | 0.083 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 127.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | L6 L7 V12 R30 | L6-A15 HydrophobicContact CB-CB 3.62Å; L6-A15 HydrophobicContact CD1-CB 3.99Å; L6-A15 HydrophobicContact CG-CB 4.45Å; L7-A15 HydrophobicContact CD2-CB 4.24Å; L7-A15 HydrophobicContact CG-CB 4.24Å; V12-A15 HydrophobicContact CG1-CB 3.95Å; A15-R30 WeakPolarHBondContact CA-O 3.24Å |
| 16 | G | 96.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 93.7 Ų | 93.7 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I29 R30 | G16-I29 WeakPolarHBondContact O-CA 3.46Å; G16-R30 PolarHBondContact N-O 3.16Å; G16-R30 PolarHBondContact O-N 3.5Å |
| 17 | Y | 95.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 98.9 Ų | 98.9 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 154.9 | 174.8 | 78.5 | -77.6 | 0 | 0 | 0 | 110.4 | T3 V28 | T3-Y17 HydrophobicContact CG2-CD1 3.65Å; T3-Y17 HydrophobicContact CG2-CG 4.25Å; Y17-V28 CarbonylContact C-O 3.51Å; Y17-V28 VanDerWaalsContact CA-O 3.24Å; Y17-V28 WeakPolarHBondContact CA-O 3.24Å |
| 18 | K | 95.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 96.7 Ų | 96.7 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 144.5 | 168.7 | 65.3 | 177.9 | -174.8 | 173.8 | 0 | 110.7 | V28 | K18-V28 HydrophobicContact CG-CB 4.23Å; K18-V28 PolarHBondContact N-O 3.43Å; K18-V28 PolarHBondContact O-N 2.9Å |
| 19 | A | 95.7 | Very high | 95 | Very high | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | trans | -93.9 | 112.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | H21 I27 | A19-H21 PolarHBondContact O-N 3.03Å; A19-I27 HydrophobicContact CB-CG2 4.46Å | ||
| 20 | P | 95.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -62.3 | -31.5 | -175.6 | 24.7 | -31.8 | 0 | 0 | 0 | 112.5 | K26 | P20-K26 VanDerWaalsContact CD-O 3.31Å; P20-K26 WeakPolarHBondContact CD-O 3.43Å |
| 21 | H | 95.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 94.9 Ų | 94.9 | 38% | 0.384 | 47% | 0.471 | S | S | . | . | trans | -147.4 | 137.6 | 176.9 | -168.8 | -89.5 | 0 | 0 | 0 | 110.2 | A19 L23 E24 | A19-H21 PolarHBondContact O-N 3.03Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 WeakPolarHBondContact ND1-CB 3.39Å; H21-L23 PolarHBondContact ND1-N 3.43Å; H21-L23 PolarHBondContact O-N 3.37Å; H21-E24 HydrophobicContact CB-CB 4.21Å; H21-E24 HydrophobicContact CB-CG 4.07Å; H21-E24 PolarHBondContact O-N 3.41Å | ||
| 22 | P | 94.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 93.5 Ų | 93.5 | 77% | 0.766 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.9 | -176.8 | 25.4 | -34.4 | 0 | 0 | 0 | 114.3 | E24 | P22-E24 VanDerWaalsContact C-N 3.34Š|
| 23 | L | 95.4 | Very high | 95.4 | Very high | 150 Ų | 150 | 94 Ų | 94 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.3 | 175.7 | -59.5 | 176.5 | 0 | 0 | 0 | 113.5 | H21 | H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 WeakPolarHBondContact ND1-CB 3.39Å; H21-L23 PolarHBondContact ND1-N 3.43Å; H21-L23 PolarHBondContact O-N 3.37Å |
| 24 | E | 94.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 89.8 Ų | 89.8 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -100.5 | 124.8 | 176.6 | -67.6 | -175.1 | -179.6 | 0 | 0 | 109.6 | H21 P22 K26 | H21-E24 HydrophobicContact CB-CB 4.21Å; H21-E24 HydrophobicContact CB-CG 4.07Å; H21-E24 PolarHBondContact O-N 3.41Å; P22-E24 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.88Å |
| 25 | H | 94.3 | Very high | 95 | Very high | 199 Ų | 199 | 93.6 Ų | 93.6 | 92% | 0.921 | 48% | 0.475 | S | S | * | . | trans | -79.6 | 59 | 178.3 | -67.9 | -161.5 | 0 | 0 | 0 | 110.6 | ||||
| 26 | K | 95.8 | Very high | 94.8 | Very high | 129 Ų | 129 | 98.4 Ų | 98.4 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | trans | -134 | 135.5 | 180 | -175.2 | 174.9 | 179.6 | 177 | 0 | 109.5 | P20 E24 | P20-K26 VanDerWaalsContact CD-O 3.31Å; P20-K26 WeakPolarHBondContact CD-O 3.43Å; E24-K26 PolarHBondContact O-N 2.88Å | ||
| 27 | I | 94.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | trans | -121.5 | 143.2 | 170.9 | 60.2 | 174 | 0 | 0 | 0 | 109.3 | A19 I29 | A19-I27 HydrophobicContact CB-CG2 4.46Å; I27-I29 HydrophobicContact CD1-CD1 4.22Å; I27-I29 HydrophobicContact CD1-CG1 4.45Å | ||
| 28 | V | 95.5 | Very high | 94.5 | Very high | 61 Ų | 61 | 93.9 Ų | 93.9 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.1 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | Y17 K18 | Y17-V28 CarbonylContact C-O 3.51Å; Y17-V28 VanDerWaalsContact CA-O 3.24Å; Y17-V28 WeakPolarHBondContact CA-O 3.24Å; K18-V28 HydrophobicContact CG-CB 4.23Å; K18-V28 PolarHBondContact N-O 3.43Å; K18-V28 PolarHBondContact O-N 2.9Å |
| 29 | I | 95 | Very high | 94.5 | Very high | 56 Ų | 56 | 90.1 Ų | 90.1 | 29% | 0.287 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134.1 | 177.3 | -54.4 | 175.9 | 0 | 0 | 0 | 107.8 | I2 G16 I27 V31 F43 | I2-I29 HydrophobicContact CG2-CD1 4.22Å; G16-I29 WeakPolarHBondContact O-CA 3.46Å; I27-I29 HydrophobicContact CD1-CD1 4.22Å; I27-I29 HydrophobicContact CD1-CG1 4.45Å; I29-V31 HydrophobicContact CG2-CG2 3.98Å; I29-F43 HydrophobicContact CD1-CE2 4.1Å; I29-F43 HydrophobicContact CD1-CZ 4.07Å; I29-F43 HydrophobicContact CG2-CE2 4.28Å |
| 30 | R | 95.5 | Very high | 94.5 | Very high | 156 Ų | 156 | 92.2 Ų | 92.2 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.2 | 175 | -173.2 | 172.2 | -174 | -175.1 | -4.7 | 109.1 | F14 A15 G16 H32 | F14-R30 HydrophobicContact CD1-CG 4.5Å; F14-R30 HydrophobicContact CE1-CB 4.21Å; F14-R30 HydrophobicContact CE1-CG 4.27Å; A15-R30 WeakPolarHBondContact CA-O 3.24Å; G16-R30 PolarHBondContact N-O 3.16Å; G16-R30 PolarHBondContact O-N 3.5Å; R30-H32 VanDerWaalsContact CZ-CE1 3.5Å; R30-H32 PolarHBondContact NE-CE1 3.37Å; R30-H32 PolarHBondContact NE-NE2 3.36Å; R30-H32 PolarHBondContact NH2-CE1 3.37Å; R30-H32 PolarHBondContact NH2-NE2 3.04Å; R30-H32 VanDerWaalsContact NH2-NE2 3.17Å |
| 31 | V | 95.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 93.4 Ų | 93.4 | 16% | 0.158 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.7 | -179.9 | -173 | 0 | 0 | 0 | 0 | 108.5 | L6 V12 F14 I29 T33 P39 F43 | L6-V31 HydrophobicContact CD1-CG2 3.83Å; V12-V31 HydrophobicContact CG1-CG1 4.38Å; F14-V31 CarbonylContact O-C 3.52Å; F14-V31 VanDerWaalsContact O-CA 3.29Å; F14-V31 WeakPolarHBondContact O-CA 3.44Å; I29-V31 HydrophobicContact CG2-CG2 3.98Å; V31-T33 HydrophobicContact CG1-CG2 4.16Å; V31-P39 HydrophobicContact CB-CB 4.43Å; V31-P39 HydrophobicContact CG1-CB 4.45Å; V31-F43 HydrophobicContact CG2-CD2 4.43Å |
| 32 | H | 96.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 89.5 Ų | 89.5 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | 166.6 | -57.2 | 95.4 | 0 | 0 | 0 | 108.6 | L13 F14 R30 | L13-H32 PolarHBondContact N-O 2.98Å; F14-H32 HydrophobicContact CB-CB 4.12Å; F14-H32 AromaticContact CD1-ND1 3.51Å; F14-H32 AromaticContact CG-ND1 3.87Å; F14-H32 PolarHBondContact N-O 3.32Å; F14-H32 VanDerWaalsContact N-O 3.15Å; F14-H32 PolarHBondContact O-N 3.04Å; R30-H32 VanDerWaalsContact CZ-CE1 3.5Å; R30-H32 PolarHBondContact NE-CE1 3.37Å; R30-H32 PolarHBondContact NE-NE2 3.36Å; R30-H32 PolarHBondContact NH2-CE1 3.37Å; R30-H32 PolarHBondContact NH2-NE2 3.04Å; R30-H32 VanDerWaalsContact NH2-NE2 3.17Å |
| 33 | T | 96 | Very high | 94.5 | Very high | 26 Ų | 26 | 86.9 Ų | 86.9 | 16% | 0.16 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.2 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | R11 V12 V31 A37 P39 V42 | R11-T33 WeakPolarHBondContact O-CA 3.32Å; V12-T33 HydrophobicContact CG2-CG2 4.31Å; V31-T33 HydrophobicContact CG1-CG2 4.16Å; T33-A37 WeakPolarHBondContact CB-O 3.49Å; T33-A37 PolarHBondContact OG1-O 2.84Å; T33-P39 HydrophobicContact CG2-CB 4.42Å; T33-P39 HydrophobicContact CG2-CG 4.44Å; T33-P39 WeakPolarHBondContact OG1-CD 3.42Å; T33-P39 WeakPolarHBondContact OG1-CG 3.46Å; T33-V42 HydrophobicContact CG2-CB 4.01Å; T33-V42 HydrophobicContact CG2-CG1 4.5Å; T33-V42 HydrophobicContact CG2-CG2 3.74Å |
| 34 | A | 92.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 82.7 Ų | 82.7 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | trans | -81.4 | 144.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R11 L13 A37 | R11-A34 PolarHBondContact O-N 3.01Å; L13-A34 HydrophobicContact CD1-CB 4.16Å; L13-A34 HydrophobicContact CD2-CB 4.29Å; L13-A34 HydrophobicContact CG-CB 4.18Å; A34-A37 PolarHBondContact O-N 3.42Å; A34-A37 VanDerWaalsContact O-N 3.11Å | ||
| 35 | H | 90.2 | Very high | 94.5 | Very high | 181 Ų | 181 | 79.2 Ų | 79.2 | 84% | 0.838 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 137.9 | 169.5 | -165.7 | 72.3 | 0 | 0 | 0 | 109.2 | ||
| 36 | P | 92.3 | Very high | 94.6 | Very high | 111 Ų | 111 | 69.9 Ų | 69.9 | 72% | 0.721 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.4 | -2 | 17.8 | 35.5 | -36.5 | 0 | 0 | 0 | 116.7 | ||
| 37 | A | 91.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -81.2 | 133.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R11 T33 A34 V42 | R11-A37 HydrophobicContact CB-CB 4.15Å; T33-A37 WeakPolarHBondContact CB-O 3.49Å; T33-A37 PolarHBondContact OG1-O 2.84Å; A34-A37 PolarHBondContact O-N 3.42Å; A34-A37 VanDerWaalsContact O-N 3.11Å; A37-V42 HydrophobicContact CB-CG2 3.8Å |
| 38 | T | 94.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.38 | 37% | 0.367 | S | S | . | . | trans | -82.6 | 149.3 | 173.2 | 80.2 | 0 | 0 | 0 | 0 | 110.8 | V40 D41 V42 | T38-V40 PolarHBondContact O-N 2.88Å; T38-D41 WeakPolarHBondContact CB-OD2 3.31Å; T38-D41 WeakPolarHBondContact CG2-OD2 3.44Å; T38-D41 PolarHBondContact O-N 3.08Å; T38-D41 PolarHBondContact OG1-N 3.29Å; T38-D41 VanDerWaalsContact OG1-N 3.15Å; T38-D41 PolarHBondContact OG1-OD2 3.43Å; T38-V42 PolarHBondContact O-N 3.28Å; T38-V42 VanDerWaalsContact O-N 3.14Å | ||
| 39 | P | 95 | Very high | 94.7 | Very high | 57 Ų | 57 | 69.2 Ų | 69.2 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -32.2 | 176.6 | -25.7 | 34.5 | 0 | 0 | 0 | 113 | V31 T33 F43 | V31-P39 HydrophobicContact CB-CB 4.43Å; V31-P39 HydrophobicContact CG1-CB 4.45Å; T33-P39 HydrophobicContact CG2-CB 4.42Å; T33-P39 HydrophobicContact CG2-CG 4.44Å; T33-P39 WeakPolarHBondContact OG1-CD 3.42Å; T33-P39 WeakPolarHBondContact OG1-CG 3.46Å; P39-F43 VanDerWaalsContact O-CB 3.24Å; P39-F43 WeakPolarHBondContact O-CB 3.38Å; P39-F43 PolarHBondContact O-N 3.37Å |
| 40 | V | 94.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 67.6 Ų | 67.6 | 62% | 0.618 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.9 | -46.1 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | T38 V42 F43 V44 | T38-V40 PolarHBondContact O-N 2.88Å; V40-V42 PolarHBondContact O-N 3.03Å; V40-F43 WeakPolarHBondContact O-CB 3.43Å; V40-F43 PolarHBondContact O-N 3.33Å; V40-V44 WeakPolarHBondContact O-CG2 3.45Å; V40-V44 PolarHBondContact O-N 3Å |
| 41 | D | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | -179.9 | -62.7 | -37.6 | 0 | 0 | 0 | 111.5 | T38 F43 V44 S45 | T38-D41 WeakPolarHBondContact CB-OD2 3.31Å; T38-D41 WeakPolarHBondContact CG2-OD2 3.44Å; T38-D41 PolarHBondContact O-N 3.08Å; T38-D41 PolarHBondContact OG1-N 3.29Å; T38-D41 VanDerWaalsContact OG1-N 3.15Å; T38-D41 PolarHBondContact OG1-OD2 3.43Å; D41-F43 VanDerWaalsContact C-N 3.3Å; D41-F43 PolarHBondContact O-N 3.1Å; D41-V44 PolarHBondContact O-N 3.09Å; D41-S45 WeakPolarHBondContact O-CB 3.41Å; D41-S45 PolarHBondContact O-N 3.32Å |
| 42 | V | 95.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | L6 D9 R11 V12 T33 A37 T38 V40 S45 A46 | L6-V42 HydrophobicContact CD2-CG1 3.94Å; D9-V42 HydrophobicContact CB-CG1 4.26Å; D9-V42 WeakPolarHBondContact OD2-CG1 3.29Å; R11-V42 HydrophobicContact CB-CG2 4.48Å; V12-V42 HydrophobicContact CG2-CB 4.4Å; V12-V42 HydrophobicContact CG2-CG1 3.32Å; T33-V42 HydrophobicContact CG2-CB 4.01Å; T33-V42 HydrophobicContact CG2-CG1 4.5Å; T33-V42 HydrophobicContact CG2-CG2 3.74Å; A37-V42 HydrophobicContact CB-CG2 3.8Å; T38-V42 PolarHBondContact O-N 3.28Å; T38-V42 VanDerWaalsContact O-N 3.14Å; V40-V42 PolarHBondContact O-N 3.03Å; V42-S45 PolarHBondContact O-N 2.91Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 2.85Å |
| 43 | F | 95.5 | Very high | 94.8 | Very high | 62 Ų | 62 | 68.3 Ų | 68.3 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.1 | -164.1 | -99.4 | 0 | 0 | 0 | 112.6 | I2 L6 I29 V31 P39 V40 D41 A46 L47 | I2-F43 HydrophobicContact CG1-CE2 3.85Å; I2-F43 HydrophobicContact CG1-CZ 4.16Å; L6-F43 HydrophobicContact CD1-CD2 3.93Å; L6-F43 HydrophobicContact CD1-CE2 4.14Å; L6-F43 HydrophobicContact CD2-CD2 4.25Å; I29-F43 HydrophobicContact CD1-CE2 4.1Å; I29-F43 HydrophobicContact CD1-CZ 4.07Å; I29-F43 HydrophobicContact CG2-CE2 4.28Å; V31-F43 HydrophobicContact CG2-CD2 4.43Å; P39-F43 VanDerWaalsContact O-CB 3.24Å; P39-F43 WeakPolarHBondContact O-CB 3.38Å; P39-F43 PolarHBondContact O-N 3.37Å; V40-F43 WeakPolarHBondContact O-CB 3.43Å; V40-F43 PolarHBondContact O-N 3.33Å; D41-F43 VanDerWaalsContact C-N 3.3Å; D41-F43 PolarHBondContact O-N 3.1Å; F43-A46 PolarHBondContact O-N 2.95Å; F43-L47 HydrophobicContact CD1-CD1 3.91Å; F43-L47 HydrophobicContact CD1-CG 4.48Å; F43-L47 HydrophobicContact CE1-CD1 3.75Å; F43-L47 HydrophobicContact CE1-CG 4.33Å; F43-L47 WeakPolarHBondContact O-CG 3.34Å; F43-L47 PolarHBondContact O-N 3.34Å; F43-L47 VanDerWaalsContact O-N 3.08Å |
| 44 | V | 95.6 | Very high | 94.8 | Very high | 63 Ų | 63 | 71 Ų | 71 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V40 D41 L47 K48 | V40-V44 WeakPolarHBondContact O-CG2 3.45Å; V40-V44 PolarHBondContact O-N 3Å; D41-V44 PolarHBondContact O-N 3.09Å; V44-L47 PolarHBondContact O-N 2.87Å; V44-K48 HydrophobicContact CG1-CD 4.37Å; V44-K48 WeakPolarHBondContact O-CG 3.49Å; V44-K48 PolarHBondContact O-N 3.28Å |
| 45 | S | 94.7 | Very high | 95.1 | Very high | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.3 | -164.5 | 0 | 0 | 0 | 0 | 111.1 | D41 V42 L47 K48 D49 | D41-S45 WeakPolarHBondContact O-CB 3.41Å; D41-S45 PolarHBondContact O-N 3.32Å; V42-S45 PolarHBondContact O-N 2.91Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.9Å; S45-K48 PolarHBondContact O-N 3.22Å; S45-K48 VanDerWaalsContact O-N 3.09Å; S45-D49 VanDerWaalsContact O-CG 3.26Å; S45-D49 PolarHBondContact O-N 2.99Å |
| 46 | A | 95.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2 Q5 L6 V42 F43 L50 | I2-A46 HydrophobicContact CD1-CB 3.98Å; Q5-A46 HydrophobicContact CB-CB 4.33Å; Q5-A46 HydrophobicContact CG-CB 3.9Å; Q5-A46 WeakPolarHBondContact CG-O 3.29Å; L6-A46 HydrophobicContact CD2-CB 3.69Å; L6-A46 HydrophobicContact CG-CB 4.02Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 2.85Å; F43-A46 PolarHBondContact O-N 2.95Å; A46-L50 VanDerWaalsContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 3.17Å; A46-L50 VanDerWaalsContact O-N 3.1Å |
| 47 | L | 96 | Very high | 95.6 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 174 | -75.9 | 173 | 0 | 0 | 0 | 112.3 | I2 F43 V44 S45 L50 I51 | I2-L47 HydrophobicContact CD1-CD2 3.73Å; I2-L47 HydrophobicContact CD1-CG 4.01Å; F43-L47 HydrophobicContact CD1-CD1 3.91Å; F43-L47 HydrophobicContact CD1-CG 4.48Å; F43-L47 HydrophobicContact CE1-CD1 3.75Å; F43-L47 HydrophobicContact CE1-CG 4.33Å; F43-L47 WeakPolarHBondContact O-CG 3.34Å; F43-L47 PolarHBondContact O-N 3.34Å; F43-L47 VanDerWaalsContact O-N 3.08Å; V44-L47 PolarHBondContact O-N 2.87Å; S45-L47 VanDerWaalsContact C-N 3.27Å; S45-L47 PolarHBondContact O-N 2.9Å; L47-L50 PolarHBondContact O-N 2.96Å; L47-I51 VanDerWaalsContact O-CG1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.01Å |
| 48 | K | 96.6 | Very high | 95.9 | Very high | 138 Ų | 138 | 72.2 Ų | 72.2 | 60% | 0.6 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 178.2 | -72.8 | 176.4 | 179.3 | 179.8 | 0 | 111.7 | V44 S45 L50 I51 S52 | V44-K48 HydrophobicContact CG1-CD 4.37Å; V44-K48 WeakPolarHBondContact O-CG 3.49Å; V44-K48 PolarHBondContact O-N 3.28Å; S45-K48 PolarHBondContact O-N 3.22Å; S45-K48 VanDerWaalsContact O-N 3.09Å; K48-L50 VanDerWaalsContact C-N 3.25Å; K48-L50 PolarHBondContact O-N 3.26Å; K48-I51 PolarHBondContact O-N 3.35Å; K48-S52 PolarHBondContact O-N 3.46Å |
| 49 | D | 95.8 | Very high | 96 | Very high | 75 Ų | 75 | 75.1 Ų | 75.1 | 40% | 0.401 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 177.7 | -62.9 | -20.9 | 0 | 0 | 0 | 110.7 | Q5 S45 S52 E53 | Q5-D49 HydrophobicContact CG-CB 4.46Å; S45-D49 VanDerWaalsContact O-CG 3.26Å; S45-D49 PolarHBondContact O-N 2.99Å; D49-S52 PolarHBondContact O-N 3.2Å; D49-E53 WeakPolarHBondContact O-CB 3.21Å; D49-E53 PolarHBondContact O-N 2.92Å |
| 50 | L | 96.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | -179.8 | -166.4 | 62.6 | 0 | 0 | 0 | 112.8 | M1 A46 L47 K48 S52 E53 I54 | M1-L50 HydrophobicContact CB-CD2 4.29Å; M1-L50 HydrophobicContact CE-CD1 3.57Å; M1-L50 HydrophobicContact CE-CD2 3.7Å; M1-L50 HydrophobicContact CE-CG 3.74Å; M1-L50 HydrophobicContact CG-CD1 3.89Å; M1-L50 HydrophobicContact CG-CD2 4.43Å; M1-L50 HydrophobicContact SD-CD1 4.26Å; A46-L50 VanDerWaalsContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 3.17Å; A46-L50 VanDerWaalsContact O-N 3.1Å; L47-L50 PolarHBondContact O-N 2.96Å; K48-L50 VanDerWaalsContact C-N 3.25Å; K48-L50 PolarHBondContact O-N 3.26Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-E53 PolarHBondContact O-N 3.29Å; L50-I54 HydrophobicContact CG-CD1 4.29Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.34Å |
| 51 | I | 96.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 79.6 Ų | 79.6 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 174.9 | -68.6 | 164.3 | 0 | 0 | 0 | 109.6 | L47 K48 E53 I54 S55 | L47-I51 VanDerWaalsContact O-CG1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.01Å; K48-I51 PolarHBondContact O-N 3.35Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.06Å; I51-I54 PolarHBondContact O-N 3.19Å; I51-S55 PolarHBondContact O-N 3.02Å; I51-S55 PolarHBondContact O-OG 3.14Å |
| 52 | S | 96.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 83.1 Ų | 83.1 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 178.2 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | K48 D49 L50 S55 N56 | K48-S52 PolarHBondContact O-N 3.46Å; D49-S52 PolarHBondContact O-N 3.2Å; L50-S52 VanDerWaalsContact C-N 3.33Å; S52-S55 PolarHBondContact O-N 3.45Å; S52-N56 WeakPolarHBondContact O-CB 3.35Å; S52-N56 PolarHBondContact O-N 3.18Å |
| 53 | E | 95.2 | Very high | 96.3 | Very high | 84 Ų | 84 | 89.3 Ų | 89.3 | 39% | 0.393 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.9 | -169.7 | 171.7 | -171.3 | 0 | 0 | 110.9 | K8 D49 L50 I51 N56 I57 | K8-E53 IonicContact NZ-OE2 2.94Å; D49-E53 WeakPolarHBondContact O-CB 3.21Å; D49-E53 PolarHBondContact O-N 2.92Å; L50-E53 PolarHBondContact O-N 3.29Å; I51-E53 VanDerWaalsContact C-N 3.34Å; I51-E53 PolarHBondContact O-N 3.06Å; E53-N56 PolarHBondContact O-N 3.15Å; E53-I57 HydrophobicContact CG-CD1 4.36Å; E53-I57 WeakPolarHBondContact O-CG1 3.44Å; E53-I57 PolarHBondContact O-N 3.16Å |
| 54 | I | 96.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 90.3 Ų | 90.3 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176 | -66.4 | 164.8 | 0 | 0 | 0 | 111.1 | M1 L50 I51 N56 I57 E58 | M1-I54 HydrophobicContact CE-CD1 3.77Å; M1-I54 HydrophobicContact CE-CG1 4.31Å; L50-I54 HydrophobicContact CG-CD1 4.29Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.34Å; I51-I54 PolarHBondContact O-N 3.19Å; I54-N56 VanDerWaalsContact C-N 3.28Å; I54-N56 PolarHBondContact O-N 2.92Å; I54-I57 PolarHBondContact O-N 3.43Å; I54-I57 VanDerWaalsContact O-N 3.16Å; I54-E58 PolarHBondContact O-N 3.04Å |
| 55 | S | 97.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 91.9 Ų | 91.9 | 42% | 0.42 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 178 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | I51 S52 E58 E59 | I51-S55 PolarHBondContact O-N 3.02Å; I51-S55 PolarHBondContact O-OG 3.14Å; S52-S55 PolarHBondContact O-N 3.45Å; S55-E58 PolarHBondContact O-N 3.15Å; S55-E59 PolarHBondContact O-N 3.44Å |
| 56 | N | 96.9 | Very high | 94.7 | Very high | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 175 | -175.5 | 22.7 | 0 | 0 | 0 | 111.9 | S52 E53 I54 E58 E59 Q60 | S52-N56 WeakPolarHBondContact O-CB 3.35Å; S52-N56 PolarHBondContact O-N 3.18Å; E53-N56 PolarHBondContact O-N 3.15Å; I54-N56 VanDerWaalsContact C-N 3.28Å; I54-N56 PolarHBondContact O-N 2.92Å; N56-E58 VanDerWaalsContact C-N 3.34Å; N56-E59 PolarHBondContact O-N 3.38Å; N56-Q60 VanDerWaalsContact CG-NE2 3.33Å; N56-Q60 PolarHBondContact ND2-NE2 2.83Å; N56-Q60 VanDerWaalsContact O-CG 3.31Å; N56-Q60 WeakPolarHBondContact O-CG 3.32Å; N56-Q60 PolarHBondContact O-N 2.9Å; N56-Q60 PolarHBondContact OD1-NE2 3.43Å |
| 57 | I | 96.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 104.9 Ų | 104.9 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.5 | -67.5 | 164.8 | 0 | 0 | 0 | 110.7 | E53 I54 E59 Q60 F61 | E53-I57 HydrophobicContact CG-CD1 4.36Å; E53-I57 WeakPolarHBondContact O-CG1 3.44Å; E53-I57 PolarHBondContact O-N 3.16Å; I54-I57 PolarHBondContact O-N 3.43Å; I54-I57 VanDerWaalsContact O-N 3.16Å; I57-E59 PolarHBondContact O-N 3.17Å; I57-Q60 PolarHBondContact O-N 3.33Å; I57-F61 VanDerWaalsContact O-CB 3.32Å; I57-F61 WeakPolarHBondContact O-CB 3.21Å; I57-F61 PolarHBondContact O-N 3.44Å |
| 58 | E | 97 | Very high | 94.5 | Very high | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.3 | -46 | 176.5 | -175 | -172.8 | 169.8 | 0 | 0 | 111.5 | I54 S55 N56 F61 R62 | I54-E58 PolarHBondContact O-N 3.04Å; S55-E58 PolarHBondContact O-N 3.15Å; N56-E58 VanDerWaalsContact C-N 3.34Å; E58-F61 PolarHBondContact O-N 3.15Å; E58-R62 WeakPolarHBondContact O-CB 3.26Å; E58-R62 PolarHBondContact O-N 2.92Å |
| 59 | E | 97 | Very high | 94.4 | Very high | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | 178.2 | -175.2 | 169 | -157.9 | 0 | 0 | 111.9 | S55 N56 I57 F61 R62 M63 | S55-E59 PolarHBondContact O-N 3.44Å; N56-E59 PolarHBondContact O-N 3.38Å; I57-E59 PolarHBondContact O-N 3.17Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.3Å; E59-R62 WeakPolarHBondContact O-CB 3.49Å; E59-R62 PolarHBondContact O-N 3.02Å; E59-M63 WeakPolarHBondContact O-CG 3.44Å; E59-M63 PolarHBondContact O-N 3.02Å |
| 60 | Q | 97 | Very high | 94.3 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 177 | -72.6 | 176.6 | 34.6 | 0 | 0 | 112.1 | N56 I57 R62 M63 A64 | N56-Q60 VanDerWaalsContact CG-NE2 3.33Å; N56-Q60 PolarHBondContact ND2-NE2 2.83Å; N56-Q60 VanDerWaalsContact O-CG 3.31Å; N56-Q60 WeakPolarHBondContact O-CG 3.32Å; N56-Q60 PolarHBondContact O-N 2.9Å; N56-Q60 PolarHBondContact OD1-NE2 3.43Å; I57-Q60 PolarHBondContact O-N 3.33Å; Q60-R62 VanDerWaalsContact C-N 3.34Å; Q60-M63 PolarHBondContact O-N 2.94Å; Q60-A64 WeakPolarHBondContact O-CB 3.33Å; Q60-A64 PolarHBondContact O-N 2.88Å |
| 61 | F | 97.4 | Very high | 94.2 | Very high | 143 Ų | 143 | 111.9 Ų | 111.9 | 63% | 0.627 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -45.3 | 176.5 | -173.6 | -97.3 | 0 | 0 | 0 | 110.9 | I57 E58 E59 M63 A64 T65 | I57-F61 VanDerWaalsContact O-CB 3.32Å; I57-F61 WeakPolarHBondContact O-CB 3.21Å; I57-F61 PolarHBondContact O-N 3.44Å; E58-F61 PolarHBondContact O-N 3.15Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.3Å; F61-M63 VanDerWaalsContact C-N 3.29Å; F61-M63 PolarHBondContact O-N 2.62Å; F61-A64 PolarHBondContact O-N 2.75Å; F61-A64 VanDerWaalsContact O-N 3.12Å; F61-T65 HydrophobicContact CD1-CG2 4.48Å; F61-T65 HydrophobicContact CE1-CG2 3.92Å; F61-T65 HydrophobicContact CZ-CG2 3.95Å; F61-T65 PolarHBondContact O-N 2.66Å; F61-T65 PolarHBondContact O-OG1 3.05Å |
| 62 | R | 96.7 | Very high | 94.1 | Very high | 168 Ų | 168 | 112.1 Ų | 112.1 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.8 | -37.9 | 177.7 | -168.3 | 176.7 | -164.4 | -111.7 | 2.7 | 112.4 | E58 E59 Q60 T65 | E58-R62 WeakPolarHBondContact O-CB 3.26Å; E58-R62 PolarHBondContact O-N 2.92Å; E59-R62 WeakPolarHBondContact O-CB 3.49Å; E59-R62 PolarHBondContact O-N 3.02Å; Q60-R62 VanDerWaalsContact C-N 3.34Å; R62-T65 PolarHBondContact O-OG1 2.86Å |
| 63 | M | 96 | Very high | 93.9 | Very high | 131 Ų | 131 | 114.3 Ų | 114.3 | 65% | 0.645 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 174.6 | -69.1 | -174.7 | 77.5 | 0 | 0 | 112.3 | E59 Q60 F61 K66 | E59-M63 WeakPolarHBondContact O-CG 3.44Å; E59-M63 PolarHBondContact O-N 3.02Å; Q60-M63 PolarHBondContact O-N 2.94Å; F61-M63 VanDerWaalsContact C-N 3.29Å; F61-M63 PolarHBondContact O-N 2.62Å; M63-K66 PolarHBondContact O-N 3.11Å |
| 64 | A | 95.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 116.6 Ų | 116.6 | 69% | 0.686 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.9 | -27.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q60 F61 K66 | Q60-A64 WeakPolarHBondContact O-CB 3.33Å; Q60-A64 PolarHBondContact O-N 2.88Å; F61-A64 PolarHBondContact O-N 2.75Å; F61-A64 VanDerWaalsContact O-N 3.12Å; A64-K66 VanDerWaalsContact C-N 3.32Å |
| 65 | T | 91.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 119.4 Ų | 119.4 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -5.6 | 173.5 | 42.1 | 0 | 0 | 0 | 0 | 114.5 | F61 R62 | F61-T65 HydrophobicContact CD1-CG2 4.48Å; F61-T65 HydrophobicContact CE1-CG2 3.92Å; F61-T65 HydrophobicContact CZ-CG2 3.95Å; F61-T65 PolarHBondContact O-N 2.66Å; F61-T65 PolarHBondContact O-OG1 3.05Å; R62-T65 PolarHBondContact O-OG1 2.86Å |
| 66 | K | 64.9 | Low | 93.3 | Very high | 208 Ų | 208 | 124.8 Ų | 124.8 | 90% | 0.904 | 61% | 0.612 | S | S | * | * | trans | -89.4 | 0 | 169.9 | -77.1 | -175.6 | 175.7 | -172 | 0 | 110.3 | M63 A64 | M63-K66 PolarHBondContact O-N 3.11Å; A64-K66 VanDerWaalsContact C-N 3.32Å |
Retrieved 66 of 66 residues in 65 ms
(Link to these results)