| 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 | 85.9 | Confident | 83.3 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | 0 | 157.1 | 0 | 57.9 | 174.9 | -175.8 | 0 | 0 | 110.6 | L3 Q16 V17 P18 E19 L56 I61 P63 | M1-L3 HydrophobicContact CE-CD2 4.33Å; M1-Q16 WeakPolarHBondContact O-CA 3.41Å; M1-V17 CarbonylContact C-O 3.53Å; M1-V17 WeakPolarHBondContact CA-O 3.44Å; M1-V17 HydrophobicContact CE-CG2 4.03Å; M1-V17 WeakPolarHBondContact CG-O 2.93Å; M1-V17 PolarHBondContact N-O 3.49Å; M1-V17 PolarHBondContact O-N 2.72Å; M1-P18 WeakPolarHBondContact CE-O 3.46Å; M1-E19 HydrophobicContact CE-CB 4.12Å; M1-E19 HydrophobicContact SD-CB 3.88Å; M1-L56 HydrophobicContact CE-CB 3.83Å; M1-L56 HydrophobicContact CE-CD1 3.46Å; M1-L56 VanDerWaalsContact CE-CD1 3.46Å; M1-L56 HydrophobicContact CE-CG 4.28Å; M1-I61 HydrophobicContact CE-CG2 4.4Å; M1-I61 VanDerWaalsContact SD-O 3.41Å; M1-P63 HydrophobicContact CB-CB 4.11Å | |||
| 2 | Q | 88 | Confident | 83.7 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139 | 173.1 | -178.2 | 174.4 | -7.5 | 0 | 0 | 109.2 | L15 P63 N64 | Q2-L15 WeakPolarHBondContact CA-O 3.3Å; Q2-P63 CarbonylContact O-C 3.57Å; Q2-N64 WeakPolarHBondContact O-CA 3.45Å; Q2-N64 PolarHBondContact O-N 2.72Å |
| 3 | L | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.6 | 174.7 | 59.9 | 85 | 0 | 0 | 0 | 110.5 | M1 V5 S14 L15 V17 L26 L56 I61 L67 | M1-L3 HydrophobicContact CE-CD2 4.33Å; L3-V5 HydrophobicContact CD1-CG2 3.63Å; L3-S14 WeakPolarHBondContact O-CA 3.34Å; L3-L15 HydrophobicContact CD1-CB 3.98Å; L3-L15 HydrophobicContact CD1-CD1 4.33Å; L3-L15 HydrophobicContact CG-CB 4.47Å; L3-L15 PolarHBondContact N-O 3.17Å; L3-L15 PolarHBondContact O-N 2.96Å; L3-V17 HydrophobicContact CD2-CG2 3.37Å; L3-V17 HydrophobicContact CG-CG2 4.15Å; L3-L26 HydrophobicContact CD1-CD1 3.86Å; L3-L26 HydrophobicContact CD2-CD1 3.72Å; L3-L26 HydrophobicContact CG-CD1 4.34Å; L3-L56 HydrophobicContact CD2-CD1 4.31Å; L3-I61 HydrophobicContact CD2-CG2 4.44Å; L3-L67 HydrophobicContact CB-CD1 4.12Å; L3-L67 HydrophobicContact CD1-CD1 3.97Å; L3-L67 HydrophobicContact CD2-CD1 4.35Å; L3-L67 HydrophobicContact CG-CD1 4.38Å |
| 4 | T | 91.1 | Very high | 84.6 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.8 | 179.2 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | E12 C13 S65 K66 L67 | T4-E12 HydrophobicContact CG2-CB 4.32Å; T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.3Å; T4-S65 PolarHBondContact N-O 2.78Å; T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.38Å; T4-L67 PolarHBondContact O-N 2.8Å |
| 5 | V | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.2 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | L3 E12 C13 L15 V30 L43 L67 L69 | L3-V5 HydrophobicContact CD1-CG2 3.63Å; V5-E12 CarbonylContact O-C 3.5Å; V5-E12 VanDerWaalsContact O-CA 3.28Å; V5-E12 WeakPolarHBondContact O-CA 3.37Å; V5-C13 PolarHBondContact N-O 2.76Å; V5-C13 PolarHBondContact O-N 2.96Å; V5-L15 HydrophobicContact CG2-CD1 3.99Å; V5-V30 HydrophobicContact CB-CG2 4.36Å; V5-V30 HydrophobicContact CG1-CG1 4.46Å; V5-V30 HydrophobicContact CG1-CG2 4.18Å; V5-V30 HydrophobicContact CG2-CG2 3.89Å; V5-L43 HydrophobicContact CG1-CD2 3.84Å; V5-L67 WeakPolarHBondContact CA-O 3.47Å; V5-L67 HydrophobicContact CG2-CB 4.36Å; V5-L69 HydrophobicContact CG1-CB 3.77Å |
| 6 | K | 90 | Very high | 85.2 | Confident | 108 Ų | 108 | 73.1 Ų | 73.1 | 47% | 0.47 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.9 | 178.1 | -173.3 | 177.5 | -176.9 | 176.9 | 0 | 110 | L67 N68 L69 | K6-L67 PolarHBondContact N-O 2.82Å; K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.36Å; K6-L69 PolarHBondContact O-N 3.36Å |
| 7 | A | 85.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 8% | 0.083 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 152 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q9 G10 R11 L34 L69 | A7-Q9 PolarHBondContact O-N 2.99Å; A7-Q9 VanDerWaalsContact O-N 3.15Å; A7-G10 PolarHBondContact O-N 3.37Å; A7-G10 VanDerWaalsContact O-N 3.13Å; A7-R11 HydrophobicContact CB-CB 4.28Å; A7-R11 WeakPolarHBondContact CB-O 3.42Å; A7-R11 PolarHBondContact N-O 2.6Å; A7-L34 HydrophobicContact CB-CD1 4.33Å; A7-L69 HydrophobicContact CB-CB 4.45Å; A7-L69 HydrophobicContact CB-CD2 4.29Å |
| 8 | L | 72 | Confident | 85.5 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.7 | 176.7 | -75.3 | 174.5 | 0 | 0 | 0 | 113.9 | G10 L69 V70 | L8-G10 PolarHBondContact O-N 2.86Å; L8-G10 VanDerWaalsContact O-N 3.15Å; L8-L69 PolarHBondContact N-O 3.12Å; L8-V70 HydrophobicContact CD1-CB 4.18Å; L8-V70 HydrophobicContact CD1-CG1 3.92Å; L8-V70 HydrophobicContact CD1-CG2 3.91Å; L8-V70 HydrophobicContact CG-CG2 4.27Å |
| 9 | Q | 68.6 | Low | 85.4 | Confident | 147 Ų | 147 | 72.4 Ų | 72.4 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 15.3 | 178.8 | -64.4 | 175.7 | 3.4 | 0 | 0 | 113.5 | A7 R11 | A7-Q9 PolarHBondContact O-N 2.99Å; A7-Q9 VanDerWaalsContact O-N 3.15Å; Q9-R11 PolarHBondContact O-N 3.4Å |
| 10 | G | 72.4 | Confident | 85.4 | Confident | 55 Ų | 55 | 73 Ų | 73 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 75.5 | -0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | A7 L8 | A7-G10 PolarHBondContact O-N 3.37Å; A7-G10 VanDerWaalsContact O-N 3.13Å; L8-G10 PolarHBondContact O-N 2.86Å; L8-G10 VanDerWaalsContact O-N 3.15Å |
| 11 | R | 79.9 | Confident | 85.6 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | trans | -77.3 | 131.1 | 173.4 | -63.2 | -176.6 | 179.8 | -172.7 | -0.7 | 110 | A7 Q9 L34 | A7-R11 HydrophobicContact CB-CB 4.28Å; A7-R11 WeakPolarHBondContact CB-O 3.42Å; A7-R11 PolarHBondContact N-O 2.6Å; Q9-R11 PolarHBondContact O-N 3.4Å; R11-L34 HydrophobicContact CB-CD2 4.29Å | ||
| 12 | E | 88.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.7 | 172.1 | 61.1 | -176.9 | 84.4 | 0 | 0 | 110.8 | T4 V5 | T4-E12 HydrophobicContact CG2-CB 4.32Å; V5-E12 CarbonylContact O-C 3.5Å; V5-E12 VanDerWaalsContact O-CA 3.28Å; V5-E12 WeakPolarHBondContact O-CA 3.37Å |
| 13 | C | 88.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 11% | 0.108 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.3 | 172.2 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | T4 V5 K33 L34 | T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.3Å; V5-C13 PolarHBondContact N-O 2.76Å; V5-C13 PolarHBondContact O-N 2.96Å; C13-K33 HydrophobicContact CB-CB 4.26Å; C13-L34 HydrophobicContact CB-CD2 4.08Å; C13-L34 HydrophobicContact CB-CG 4.41Å |
| 14 | S | 91.1 | Very high | 85.9 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.8 | 170.9 | -70.5 | 0 | 0 | 0 | 0 | 109.3 | L3 | L3-S14 WeakPolarHBondContact O-CA 3.34Å |
| 15 | L | 89.9 | Confident | 85.8 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.7 | 179.8 | -60.6 | 175.5 | 0 | 0 | 0 | 109.9 | Q2 L3 V5 L26 L29 V30 K33 | Q2-L15 WeakPolarHBondContact CA-O 3.3Å; L3-L15 HydrophobicContact CD1-CB 3.98Å; L3-L15 HydrophobicContact CD1-CD1 4.33Å; L3-L15 HydrophobicContact CG-CB 4.47Å; L3-L15 PolarHBondContact N-O 3.17Å; L3-L15 PolarHBondContact O-N 2.96Å; V5-L15 HydrophobicContact CG2-CD1 3.99Å; L15-L26 HydrophobicContact CD1-CD1 4.25Å; L15-L29 HydrophobicContact CD1-CB 4.14Å; L15-L29 HydrophobicContact CD2-CB 4.22Å; L15-V30 HydrophobicContact CD1-CB 4.49Å; L15-V30 HydrophobicContact CD1-CG2 3.46Å; L15-V30 VanDerWaalsContact CD1-CG2 3.46Å; L15-K33 HydrophobicContact CD2-CB 4.45Å; L15-K33 HydrophobicContact CD2-CG 3.68Å |
| 16 | Q | 89.4 | Confident | 85.7 | Confident | 171 Ų | 171 | 71.2 Ų | 71.2 | 80% | 0.799 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112 | 175.9 | -163.7 | 172.3 | 13.1 | 0 | 0 | 108.5 | M1 | M1-Q16 WeakPolarHBondContact O-CA 3.41Å |
| 17 | V | 88 | Confident | 85.7 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | trans | -139.3 | 153.4 | -177.8 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | M1 L3 L26 L29 L56 | M1-V17 CarbonylContact C-O 3.53Å; M1-V17 WeakPolarHBondContact CA-O 3.44Å; M1-V17 HydrophobicContact CE-CG2 4.03Å; M1-V17 WeakPolarHBondContact CG-O 2.93Å; M1-V17 PolarHBondContact N-O 3.49Å; M1-V17 PolarHBondContact O-N 2.72Å; L3-V17 HydrophobicContact CD2-CG2 3.37Å; L3-V17 HydrophobicContact CG-CG2 4.15Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; V17-L26 HydrophobicContact CG2-CD1 3.96Å; V17-L29 HydrophobicContact CG1-CD1 3.31Å; V17-L56 HydrophobicContact CB-CD1 4.48Å; V17-L56 HydrophobicContact CG2-CD1 3.65Å | ||
| 18 | P | 88.2 | Confident | 85.9 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | trans | -74.6 | 156.5 | 172.3 | 25.2 | -23.5 | 0 | 0 | 0 | 111.6 | M1 D20 E21 | M1-P18 WeakPolarHBondContact CE-O 3.46Å; P18-D20 VanDerWaalsContact C-N 3.25Å; P18-D20 PolarHBondContact O-N 3.12Å; P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.35Å; P18-E21 VanDerWaalsContact CG-OE2 3.3Å; P18-E21 WeakPolarHBondContact CG-OE2 3.3Å; P18-E21 VanDerWaalsContact O-CB 3.3Å; P18-E21 WeakPolarHBondContact O-CB 3.26Å; P18-E21 PolarHBondContact O-N 2.99Å | ||
| 19 | E | 82.8 | Confident | 86.7 | Confident | 129 Ų | 129 | 68.9 Ų | 68.9 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.1 | -179.3 | 63.5 | -170.6 | 78.6 | 0 | 0 | 114.3 | M1 E21 S57 | M1-E19 HydrophobicContact CE-CB 4.12Å; M1-E19 HydrophobicContact SD-CB 3.88Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E19-S57 WeakPolarHBondContact O-CB 3.23Å; E19-S57 PolarHBondContact O-N 3.09Å |
| 20 | D | 85.8 | Confident | 87.6 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2 | -177.4 | -157.4 | -127.5 | 0 | 0 | 0 | 112.9 | P18 R55 | P18-D20 VanDerWaalsContact C-N 3.25Å; P18-D20 PolarHBondContact O-N 3.12Å; D20-R55 IonicContact OD1-CZ 3.4Å; D20-R55 IonicContact OD1-NH1 2.6Å; D20-R55 PolarHBondContact OD1-NH1 3.42Å; D20-R55 IonicContact OD1-NH2 3.75Å; D20-R55 IonicContact OD2-CZ 3.69Å; D20-R55 IonicContact OD2-NH1 2.72Å; D20-R55 PolarHBondContact OD2-NH1 2.94Å |
| 21 | E | 89.3 | Confident | 88.3 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | trans | -71.1 | 155.2 | -178.6 | -156.5 | 59.9 | -152.7 | 0 | 0 | 111.9 | P18 E19 T25 R55 L56 | P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.35Å; P18-E21 VanDerWaalsContact CG-OE2 3.3Å; P18-E21 WeakPolarHBondContact CG-OE2 3.3Å; P18-E21 VanDerWaalsContact O-CB 3.3Å; P18-E21 WeakPolarHBondContact O-CB 3.26Å; P18-E21 PolarHBondContact O-N 2.99Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E21-T25 HydrophobicContact CG-CG2 4Å; E21-T25 WeakPolarHBondContact OE1-CB 3.37Å; E21-T25 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T25 PolarHBondContact OE1-OG1 3.39Å; E21-R55 WeakPolarHBondContact O-CA 3.5Å; E21-L56 HydrophobicContact CB-CD1 4.24Å; E21-L56 PolarHBondContact O-N 3.47Å | ||
| 22 | L | 90.8 | Very high | 88.6 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 148.8 | 175 | -67.1 | 169.9 | 0 | 0 | 0 | 111.9 | S24 T25 L26 R55 | L22-S24 WeakPolarHBondContact CB-OG 3.4Å; L22-S24 PolarHBondContact O-N 3.33Å; L22-T25 PolarHBondContact O-N 2.91Å; L22-L26 PolarHBondContact O-N 3.19Å; L22-R55 HydrophobicContact CD2-CG 3.91Å |
| 23 | V | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -29.8 | 171 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L26 K27 L50 T51 K54 L56 Y59 | V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.17Å; V23-K27 PolarHBondContact O-N 3.27Å; V23-L50 HydrophobicContact CB-CB 4.5Å; V23-L50 HydrophobicContact CG1-CB 3.66Å; V23-L50 HydrophobicContact CG2-CB 3.97Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; V23-T51 VanDerWaalsContact CB-O 3.3Å; V23-T51 WeakPolarHBondContact CB-O 3.38Å; V23-K54 VanDerWaalsContact CG2-O 3.28Å; V23-K54 WeakPolarHBondContact CG2-O 3.41Å; V23-K54 PolarHBondContact N-O 2.84Å; V23-K54 VanDerWaalsContact N-O 3.09Å; V23-L56 HydrophobicContact CG2-CD2 3.98Å; V23-Y59 HydrophobicContact CG2-CD2 4.49Å; V23-Y59 HydrophobicContact CG2-CE2 4.34Å |
| 24 | S | 90 | Very high | 88.2 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | L22 L26 K27 H28 D52 | L22-S24 WeakPolarHBondContact CB-OG 3.4Å; L22-S24 PolarHBondContact O-N 3.33Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.48Å; S24-K27 PolarHBondContact O-N 3.11Å; S24-H28 PolarHBondContact O-CD2 3.26Å; S24-H28 VanDerWaalsContact O-CD2 3.27Å; S24-H28 PolarHBondContact O-N 3.15Å; S24-H28 VanDerWaalsContact O-N 3.11Å; S24-D52 PolarHBondContact N-O 3.35Å |
| 25 | T | 89.5 | Confident | 87.7 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.282 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175.9 | -49.2 | 0 | 0 | 0 | 0 | 110.8 | E21 L22 K27 H28 L29 | E21-T25 HydrophobicContact CG-CG2 4Å; E21-T25 WeakPolarHBondContact OE1-CB 3.37Å; E21-T25 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T25 PolarHBondContact OE1-OG1 3.39Å; L22-T25 PolarHBondContact O-N 2.91Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.42Å; T25-H28 WeakPolarHBondContact O-CB 3.38Å; T25-H28 PolarHBondContact O-N 3.17Å; T25-H28 VanDerWaalsContact O-N 3.15Å; T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 PolarHBondContact O-N 3.26Å |
| 26 | L | 89.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 177.3 | -170.5 | 80.6 | 0 | 0 | 0 | 111.6 | L3 L15 V17 L22 V23 S24 H28 L29 V30 L43 L56 L67 | L3-L26 HydrophobicContact CD1-CD1 3.86Å; L3-L26 HydrophobicContact CD2-CD1 3.72Å; L3-L26 HydrophobicContact CG-CD1 4.34Å; L15-L26 HydrophobicContact CD1-CD1 4.25Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; V17-L26 HydrophobicContact CG2-CD1 3.96Å; L22-L26 PolarHBondContact O-N 3.19Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.17Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.48Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.49Å; L26-L43 HydrophobicContact CD2-CD1 3.56Å; L26-L43 HydrophobicContact CG-CD1 4.19Å; L26-L56 HydrophobicContact CD1-CD1 4.39Å; L26-L56 HydrophobicContact CD2-CD2 3.94Å; L26-L67 HydrophobicContact CD2-CD2 3.67Å |
| 27 | K | 89.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | 177.3 | -69.5 | -175.4 | -172.4 | 172.7 | 0 | 112.5 | V23 S24 T25 V30 S31 V38 Q41 L43 D52 | V23-K27 PolarHBondContact O-N 3.27Å; S24-K27 PolarHBondContact O-N 3.11Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.42Å; K27-V30 PolarHBondContact O-N 3.09Å; K27-S31 WeakPolarHBondContact O-CB 3.45Å; K27-S31 PolarHBondContact O-N 2.93Å; K27-V38 HydrophobicContact CB-CB 4.4Å; K27-V38 HydrophobicContact CB-CG1 3.75Å; K27-V38 HydrophobicContact CB-CG2 4.18Å; K27-V38 HydrophobicContact CD-CG1 3.87Å; K27-V38 HydrophobicContact CG-CG1 4.5Å; K27-Q41 VanDerWaalsContact CA-OE1 3.31Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 PolarHBondContact O-NE2 2.78Å; K27-Q41 PolarHBondContact O-OE1 3.34Å; K27-L43 HydrophobicContact CG-CD1 3.62Å; K27-L43 HydrophobicContact CG-CG 4.26Å; K27-D52 VanDerWaalsContact CD-OD1 3.26Å; K27-D52 WeakPolarHBondContact CD-OD1 3.14Å; K27-D52 VanDerWaalsContact CE-OD1 3.23Å; K27-D52 WeakPolarHBondContact CE-OD1 3.4Å; K27-D52 IonicContact NZ-OD1 2.72Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å |
| 28 | H | 89.2 | Confident | 87.1 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 173.8 | -82 | -73.9 | 0 | 0 | 0 | 111.9 | S24 T25 L26 V30 S31 D32 | S24-H28 PolarHBondContact O-CD2 3.26Å; S24-H28 VanDerWaalsContact O-CD2 3.27Å; S24-H28 PolarHBondContact O-N 3.15Å; S24-H28 VanDerWaalsContact O-N 3.11Å; T25-H28 WeakPolarHBondContact O-CB 3.38Å; T25-H28 PolarHBondContact O-N 3.17Å; T25-H28 VanDerWaalsContact O-N 3.15Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 3.01Å; H28-V30 PolarHBondContact O-N 3.41Å; H28-S31 WeakPolarHBondContact O-CA 3.41Å; H28-S31 VanDerWaalsContact O-CB 3.23Å; H28-S31 WeakPolarHBondContact O-CB 3.23Å; H28-S31 PolarHBondContact O-N 3.37Å; H28-S31 VanDerWaalsContact O-N 3.09Å; H28-D32 PolarHBondContact O-N 3.29Å |
| 29 | L | 89.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.1 | -69.7 | 167.4 | 0 | 0 | 0 | 112.4 | L15 V17 T25 L26 S31 D32 K33 | L15-L29 HydrophobicContact CD1-CB 4.14Å; L15-L29 HydrophobicContact CD2-CB 4.22Å; V17-L29 HydrophobicContact CG1-CD1 3.31Å; T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 PolarHBondContact O-N 3.26Å; L26-L29 PolarHBondContact O-N 3.28Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.39Å; L29-D32 PolarHBondContact O-N 3.24Å; L29-K33 WeakPolarHBondContact O-CG 3.28Å; L29-K33 PolarHBondContact O-N 3.07Å; L29-K33 VanDerWaalsContact O-N 3.07Å |
| 30 | V | 88 | Confident | 87 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V5 L15 L26 K27 H28 K33 L34 Q41 L69 | V5-V30 HydrophobicContact CB-CG2 4.36Å; V5-V30 HydrophobicContact CG1-CG1 4.46Å; V5-V30 HydrophobicContact CG1-CG2 4.18Å; V5-V30 HydrophobicContact CG2-CG2 3.89Å; L15-V30 HydrophobicContact CD1-CB 4.49Å; L15-V30 HydrophobicContact CD1-CG2 3.46Å; L15-V30 VanDerWaalsContact CD1-CG2 3.46Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.49Å; K27-V30 PolarHBondContact O-N 3.09Å; H28-V30 PolarHBondContact O-N 3.41Å; V30-K33 PolarHBondContact O-N 3.04Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 PolarHBondContact O-N 3.48Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.29Å; V30-L69 HydrophobicContact CG1-CD2 3.75Å |
| 31 | S | 86.8 | Confident | 87 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 177 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | K27 H28 L29 N35 V36 Q41 | K27-S31 WeakPolarHBondContact O-CB 3.45Å; K27-S31 PolarHBondContact O-N 2.93Å; H28-S31 WeakPolarHBondContact O-CA 3.41Å; H28-S31 VanDerWaalsContact O-CB 3.23Å; H28-S31 WeakPolarHBondContact O-CB 3.23Å; H28-S31 PolarHBondContact O-N 3.37Å; H28-S31 VanDerWaalsContact O-N 3.09Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.39Å; S31-N35 WeakPolarHBondContact O-CA 3.2Å; S31-N35 PolarHBondContact O-N 3.04Å; S31-V36 VanDerWaalsContact CA-O 3.27Å; S31-V36 WeakPolarHBondContact CA-O 3.49Å; S31-V36 VanDerWaalsContact CB-O 3.3Å; S31-V36 WeakPolarHBondContact CB-O 3.42Å; S31-V36 PolarHBondContact OG-O 3.28Å; S31-Q41 VanDerWaalsContact CA-NE2 3.35Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å |
| 32 | D | 86.1 | Confident | 87 | Confident | 111 Ų | 111 | 62 Ų | 62 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 178 | -171.3 | -98.4 | 0 | 0 | 0 | 111.8 | H28 L29 | H28-D32 PolarHBondContact O-N 3.29Å; L29-D32 PolarHBondContact O-N 3.24Å |
| 33 | K | 84.8 | Confident | 87 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 54% | 0.543 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -80.4 | -37.3 | -176.6 | -63.9 | -53.2 | -179.3 | -159.6 | 0 | 114.7 | C13 L15 L29 V30 | C13-K33 HydrophobicContact CB-CB 4.26Å; L15-K33 HydrophobicContact CD2-CB 4.45Å; L15-K33 HydrophobicContact CD2-CG 3.68Å; L29-K33 WeakPolarHBondContact O-CG 3.28Å; L29-K33 PolarHBondContact O-N 3.07Å; L29-K33 VanDerWaalsContact O-N 3.07Å; V30-K33 PolarHBondContact O-N 3.04Å |
| 34 | L | 82.3 | Confident | 87 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -104 | -3.7 | -175.6 | -63 | -178.5 | 0 | 0 | 0 | 113.3 | A7 R11 C13 V30 V36 L69 | A7-L34 HydrophobicContact CB-CD1 4.33Å; R11-L34 HydrophobicContact CB-CD2 4.29Å; C13-L34 HydrophobicContact CB-CD2 4.08Å; C13-L34 HydrophobicContact CB-CG 4.41Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 PolarHBondContact O-N 3.48Å; L34-V36 HydrophobicContact CB-CG2 4.05Å; L34-V36 PolarHBondContact O-N 2.71Å; L34-L69 HydrophobicContact CD1-CD2 3.59Å |
| 35 | N | 81.8 | Confident | 87 | Confident | 143 Ų | 143 | 59.8 Ų | 59.8 | 77% | 0.765 | 29% | 0.289 | S | S | * | . | trans | 55.2 | 32.6 | -174.6 | -68.8 | -80.3 | 0 | 0 | 0 | 113.2 | S31 | S31-N35 WeakPolarHBondContact O-CA 3.2Å; S31-N35 PolarHBondContact O-N 3.04Å | ||
| 36 | V | 82.8 | Confident | 86.9 | Confident | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | trans | -104.9 | 124.2 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | S31 L34 V38 Q40 Q41 L69 V71 | S31-V36 VanDerWaalsContact CA-O 3.27Å; S31-V36 WeakPolarHBondContact CA-O 3.49Å; S31-V36 VanDerWaalsContact CB-O 3.3Å; S31-V36 WeakPolarHBondContact CB-O 3.42Å; S31-V36 PolarHBondContact OG-O 3.28Å; L34-V36 HydrophobicContact CB-CG2 4.05Å; L34-V36 PolarHBondContact O-N 2.71Å; V36-V38 PolarHBondContact O-N 3.07Å; V36-Q40 HydrophobicContact CG1-CB 4.29Å; V36-Q41 HydrophobicContact CB-CG 4.09Å; V36-Q41 HydrophobicContact CG1-CG 3.64Å; V36-Q41 PolarHBondContact O-NE2 2.91Å; V36-L69 HydrophobicContact CG2-CD2 4.44Å; V36-V71 HydrophobicContact CG1-CG1 3.97Å; V36-V71 HydrophobicContact CG1-CG2 3.9Å; V36-V71 HydrophobicContact CG2-CG2 4.17Å | ||
| 37 | P | 85.1 | Confident | 86.6 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | trans | -57.7 | 134 | 178.3 | -19.2 | 27.4 | 0 | 0 | 0 | 112.5 | R39 Q40 Q41 | P37-R39 PolarHBondContact O-N 2.96Å; P37-Q40 HydrophobicContact CB-CB 4.48Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 HydrophobicContact CG-CG 4.34Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.09Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 3.32Å | ||
| 38 | V | 85.6 | Confident | 86.4 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -47 | -39 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | K27 V36 Q40 Q41 | K27-V38 HydrophobicContact CB-CB 4.4Å; K27-V38 HydrophobicContact CB-CG1 3.75Å; K27-V38 HydrophobicContact CB-CG2 4.18Å; K27-V38 HydrophobicContact CD-CG1 3.87Å; K27-V38 HydrophobicContact CG-CG1 4.5Å; V36-V38 PolarHBondContact O-N 3.07Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.89Å; V38-Q41 WeakPolarHBondContact O-CB 3.47Å; V38-Q41 PolarHBondContact O-N 2.72Å |
| 39 | R | 82.4 | Confident | 86.4 | Confident | 226 Ų | 226 | 72 Ų | 72 | 85% | 0.853 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -67 | -28.7 | 179.4 | -58.7 | -172.9 | -170.5 | -170.6 | 2.8 | 113.7 | P37 L74 | P37-R39 PolarHBondContact O-N 2.96Å; R39-L74 HydrophobicContact CB-CD1 3.87Å |
| 40 | Q | 85.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -86.9 | -15.5 | 176.5 | -66.4 | -177.5 | -23.3 | 0 | 0 | 112.1 | V36 P37 V38 R42 V71 K72 L74 | V36-Q40 HydrophobicContact CG1-CB 4.29Å; P37-Q40 HydrophobicContact CB-CB 4.48Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 HydrophobicContact CG-CG 4.34Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.09Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.89Å; Q40-R42 PolarHBondContact O-N 3.32Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; Q40-K72 WeakPolarHBondContact CB-O 3.47Å; Q40-K72 WeakPolarHBondContact CG-O 3.47Å; Q40-K72 PolarHBondContact O-N 3.1Å; Q40-L74 HydrophobicContact CG-CB 4.31Å; Q40-L74 HydrophobicContact CG-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CG 4.43Å |
| 41 | Q | 87.2 | Confident | 86.3 | Confident | 7 Ų | 7 | 72 Ų | 72 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.7 | -178.6 | -63.9 | 178.4 | 33.7 | 0 | 0 | 111.6 | K27 V30 S31 V36 P37 V38 L69 | K27-Q41 VanDerWaalsContact CA-OE1 3.31Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 PolarHBondContact O-NE2 2.78Å; K27-Q41 PolarHBondContact O-OE1 3.34Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.29Å; S31-Q41 VanDerWaalsContact CA-NE2 3.35Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å; V36-Q41 HydrophobicContact CB-CG 4.09Å; V36-Q41 HydrophobicContact CG1-CG 3.64Å; V36-Q41 PolarHBondContact O-NE2 2.91Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 3.32Å; V38-Q41 WeakPolarHBondContact O-CB 3.47Å; V38-Q41 PolarHBondContact O-N 2.72Å; Q41-L69 HydrophobicContact CB-CD1 3.58Å; Q41-L69 HydrophobicContact CG-CD1 3.77Å |
| 42 | R | 89.3 | Confident | 86.3 | Confident | 116 Ų | 116 | 73.4 Ų | 73.4 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 106 | 164 | -179 | 174.1 | -94.1 | -170.8 | -11.9 | 108.7 | Q40 L44 V70 K72 | Q40-R42 PolarHBondContact O-N 3.32Å; R42-L44 HydrophobicContact CG-CD1 4.1Å; R42-L44 HydrophobicContact CG-CG 4.48Å; R42-L44 WeakPolarHBondContact O-CD1 3.27Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.3Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 3.03Å; R42-K72 VanDerWaalsContact NE-CE 3.34Å; R42-K72 VanDerWaalsContact NH1-CE 3.27Å |
| 43 | L | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.1 | 174.8 | -65.6 | 174.9 | 0 | 0 | 0 | 110.2 | V5 L26 K27 L50 N68 L69 | V5-L43 HydrophobicContact CG1-CD2 3.84Å; L26-L43 HydrophobicContact CD2-CD1 3.56Å; L26-L43 HydrophobicContact CG-CD1 4.19Å; K27-L43 HydrophobicContact CG-CD1 3.62Å; K27-L43 HydrophobicContact CG-CG 4.26Å; L43-L50 HydrophobicContact CB-CB 4.3Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.33Å; L43-L50 PolarHBondContact O-N 3.16Å; L43-N68 CarbonylContact C-O 3.55Å; L43-N68 WeakPolarHBondContact CA-O 3.28Å; L43-L69 HydrophobicContact CD2-CB 4.06Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å; L43-L69 HydrophobicContact CG-CD1 4.43Å |
| 44 | L | 90.8 | Very high | 86.4 | Confident | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.1 | 177.5 | -56.3 | 96.2 | 0 | 0 | 0 | 110.7 | R42 K48 N68 V70 | R42-L44 HydrophobicContact CG-CD1 4.1Å; R42-L44 HydrophobicContact CG-CG 4.48Å; R42-L44 WeakPolarHBondContact O-CD1 3.27Å; L44-K48 CarbonylContact C-O 3.57Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.43Å; L44-N68 HydrophobicContact CB-CB 4.48Å; L44-N68 PolarHBondContact N-O 2.93Å; L44-N68 PolarHBondContact O-N 3.18Å; L44-V70 HydrophobicContact CD1-CB 4.02Å; L44-V70 HydrophobicContact CD1-CG2 3.41Å; L44-V70 VanDerWaalsContact CD1-CG2 3.41Å |
| 45 | F | 89.9 | Confident | 86.8 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 7% | 0.07 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125 | 172.4 | -176.9 | -116.9 | 0 | 0 | 0 | 109.5 | G47 K48 L50 Y59 I61 L67 | F45-G47 PolarHBondContact O-N 3.4Å; F45-G47 VanDerWaalsContact O-N 3.13Å; F45-K48 PolarHBondContact N-O 2.84Å; F45-K48 PolarHBondContact O-N 3.42Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.47Å; F45-Y59 WeakPolarHBondContact CE1-O 3.35Å; F45-I61 HydrophobicContact CB-CD1 4.44Å; F45-I61 HydrophobicContact CD1-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.44Å; F45-I61 HydrophobicContact CE1-CG1 3.81Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 3.96Å; F45-I61 HydrophobicContact CZ-CG1 4.29Å; F45-L67 HydrophobicContact CD2-CG 4.39Å |
| 46 | K | 86.9 | Confident | 87.1 | Confident | 175 Ų | 175 | 72.3 Ų | 72.3 | 76% | 0.761 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 39.6 | -176.3 | -62 | -178.9 | 175.2 | 177 | 0 | 113.5 | K48 | K46-K48 PolarHBondContact O-N 3.2Š|
| 47 | G | 83.3 | Confident | 87.3 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 72% | 0.722 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -4.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F45 | F45-G47 PolarHBondContact O-N 3.4Å; F45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | K | 86.8 | Confident | 87.5 | Confident | 147 Ų | 147 | 75.3 Ų | 75.3 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.6 | 175 | -66.5 | -177.2 | 177.4 | 179.5 | 0 | 110.5 | L44 F45 K46 | L44-K48 CarbonylContact C-O 3.57Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.43Å; F45-K48 PolarHBondContact N-O 2.84Å; F45-K48 PolarHBondContact O-N 3.42Å; K46-K48 PolarHBondContact O-N 3.2Å |
| 49 | A | 88 | Confident | 87.5 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 40% | 0.397 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y59 | A49-Y59 PolarHBondContact O-OH 2.88Å |
| 50 | L | 88.6 | Confident | 87.7 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 139.1 | 175.2 | -55.3 | -175.4 | 0 | 0 | 0 | 109.8 | V23 L43 F45 Y59 I61 L67 | V23-L50 HydrophobicContact CB-CB 4.5Å; V23-L50 HydrophobicContact CG1-CB 3.66Å; V23-L50 HydrophobicContact CG2-CB 3.97Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; L43-L50 HydrophobicContact CB-CB 4.3Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.33Å; L43-L50 PolarHBondContact O-N 3.16Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.47Å; L50-Y59 HydrophobicContact CB-CE2 4.4Å; L50-Y59 HydrophobicContact CD2-CD1 3.54Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.43Å; L50-Y59 VanDerWaalsContact CD2-CG 3.43Å; L50-I61 HydrophobicContact CD1-CD1 3.76Å; L50-I61 HydrophobicContact CD2-CD1 4.01Å; L50-L67 HydrophobicContact CD1-CD2 3.49Å; L50-L67 VanDerWaalsContact CD1-CD2 3.49Å |
| 51 | T | 88.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | trans | -107.7 | 138.3 | -179.8 | -32 | 0 | 0 | 0 | 0 | 108.7 | V23 E53 K54 Y59 | V23-T51 VanDerWaalsContact CB-O 3.3Å; V23-T51 WeakPolarHBondContact CB-O 3.38Å; T51-E53 HydrophobicContact CG2-CG 3.73Å; T51-E53 PolarHBondContact O-N 3.01Å; T51-E53 VanDerWaalsContact O-N 3.17Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-K54 VanDerWaalsContact O-N 3.12Å; T51-Y59 PolarHBondContact N-OH 3.29Å; T51-Y59 VanDerWaalsContact N-OH 3.1Å; T51-Y59 PolarHBondContact OG1-OH 3.13Å | ||
| 52 | D | 85.8 | Confident | 87.7 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.4 | -173.3 | -58.7 | -90.5 | 0 | 0 | 0 | 114 | S24 K27 K54 | S24-D52 PolarHBondContact N-O 3.35Å; K27-D52 VanDerWaalsContact CD-OD1 3.26Å; K27-D52 WeakPolarHBondContact CD-OD1 3.14Å; K27-D52 VanDerWaalsContact CE-OD1 3.23Å; K27-D52 WeakPolarHBondContact CE-OD1 3.4Å; K27-D52 IonicContact NZ-OD1 2.72Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å; D52-K54 VanDerWaalsContact C-N 3.34Å |
| 53 | E | 86.5 | Confident | 87.5 | Confident | 169 Ų | 169 | 68 Ų | 68 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.6 | -177.1 | 21.1 | 178.2 | 69.9 | 0 | 0 | 113.7 | T51 | T51-E53 HydrophobicContact CG2-CG 3.73Å; T51-E53 PolarHBondContact O-N 3.01Å; T51-E53 VanDerWaalsContact O-N 3.17Å |
| 54 | K | 87.6 | Confident | 87.3 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -106 | 154.2 | 179.4 | -79.6 | -177.4 | 175.7 | -177.9 | 0 | 112.2 | V23 T51 D52 Y59 | V23-K54 VanDerWaalsContact CG2-O 3.28Å; V23-K54 WeakPolarHBondContact CG2-O 3.41Å; V23-K54 PolarHBondContact N-O 2.84Å; V23-K54 VanDerWaalsContact N-O 3.09Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-K54 VanDerWaalsContact O-N 3.12Å; D52-K54 VanDerWaalsContact C-N 3.34Å; K54-Y59 HydrophobicContact CB-CD2 4.24Å; K54-Y59 HydrophobicContact CB-CE2 3.47Å; K54-Y59 VanDerWaalsContact CB-CE2 3.47Å; K54-Y59 HydrophobicContact CD-CE2 3.77Å; K54-Y59 HydrophobicContact CG-CE2 4.26Å |
| 55 | R | 90.9 | Very high | 87.3 | Confident | 105 Ų | 105 | 72.5 Ų | 72.5 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 159.9 | 177.3 | -64.4 | 176.6 | 167.8 | -148 | -16.4 | 111.3 | D20 E21 L22 S57 D58 Y59 | D20-R55 IonicContact OD1-CZ 3.4Å; D20-R55 IonicContact OD1-NH1 2.6Å; D20-R55 PolarHBondContact OD1-NH1 3.42Å; D20-R55 IonicContact OD1-NH2 3.75Å; D20-R55 IonicContact OD2-CZ 3.69Å; D20-R55 IonicContact OD2-NH1 2.72Å; D20-R55 PolarHBondContact OD2-NH1 2.94Å; E21-R55 WeakPolarHBondContact O-CA 3.5Å; L22-R55 HydrophobicContact CD2-CG 3.91Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.44Å; R55-D58 WeakPolarHBondContact CB-OD2 3.27Å; R55-D58 PolarHBondContact N-OD2 2.86Å; R55-D58 WeakPolarHBondContact O-CB 3.5Å; R55-D58 PolarHBondContact O-N 2.84Å; R55-Y59 WeakPolarHBondContact O-CD2 3.3Å |
| 56 | L | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36.1 | 176 | -61.1 | 175.3 | 0 | 0 | 0 | 111.5 | M1 L3 V17 E21 V23 L26 D58 Y59 N60 I61 | M1-L56 HydrophobicContact CE-CB 3.83Å; M1-L56 HydrophobicContact CE-CD1 3.46Å; M1-L56 VanDerWaalsContact CE-CD1 3.46Å; M1-L56 HydrophobicContact CE-CG 4.28Å; L3-L56 HydrophobicContact CD2-CD1 4.31Å; V17-L56 HydrophobicContact CB-CD1 4.48Å; V17-L56 HydrophobicContact CG2-CD1 3.65Å; E21-L56 HydrophobicContact CB-CD1 4.24Å; E21-L56 PolarHBondContact O-N 3.47Å; V23-L56 HydrophobicContact CG2-CD2 3.98Å; L26-L56 HydrophobicContact CD1-CD1 4.39Å; L26-L56 HydrophobicContact CD2-CD2 3.94Å; L56-D58 PolarHBondContact O-N 2.91Å; L56-Y59 PolarHBondContact O-N 2.84Å; L56-Y59 VanDerWaalsContact O-N 3.17Å; L56-N60 PolarHBondContact O-N 2.93Å; L56-I61 HydrophobicContact CB-CB 4.18Å; L56-I61 HydrophobicContact CB-CD1 4.37Å; L56-I61 HydrophobicContact CD2-CD1 3.71Å; L56-I61 WeakPolarHBondContact O-CB 3.48Å; L56-I61 PolarHBondContact O-N 3.27Å; L56-I61 VanDerWaalsContact O-N 3.07Å |
| 57 | S | 87.1 | Confident | 87.5 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -59.5 | -39 | 173.7 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | E19 R55 Y59 N60 | E19-S57 WeakPolarHBondContact O-CB 3.23Å; E19-S57 PolarHBondContact O-N 3.09Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.44Å; S57-Y59 PolarHBondContact O-N 2.83Å; S57-N60 WeakPolarHBondContact O-CA 3.48Å; S57-N60 PolarHBondContact O-N 3.46Å |
| 58 | D | 88 | Confident | 87.9 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -59.1 | -31.3 | 175.6 | -71.3 | -57 | 0 | 0 | 0 | 112.6 | R55 L56 N60 | R55-D58 WeakPolarHBondContact CB-OD2 3.27Å; R55-D58 PolarHBondContact N-OD2 2.86Å; R55-D58 WeakPolarHBondContact O-CB 3.5Å; R55-D58 PolarHBondContact O-N 2.84Å; L56-D58 PolarHBondContact O-N 2.91Å; D58-N60 VanDerWaalsContact C-N 3.33Å |
| 59 | Y | 86 | Confident | 88 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 13% | 0.129 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -91.4 | 5.5 | 177.7 | -71.8 | -78.8 | 0 | 0 | 0 | 113.4 | V23 F45 A49 L50 T51 K54 R55 L56 S57 I61 | V23-Y59 HydrophobicContact CG2-CD2 4.49Å; V23-Y59 HydrophobicContact CG2-CE2 4.34Å; F45-Y59 WeakPolarHBondContact CE1-O 3.35Å; A49-Y59 PolarHBondContact O-OH 2.88Å; L50-Y59 HydrophobicContact CB-CE2 4.4Å; L50-Y59 HydrophobicContact CD2-CD1 3.54Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.43Å; L50-Y59 VanDerWaalsContact CD2-CG 3.43Å; T51-Y59 PolarHBondContact N-OH 3.29Å; T51-Y59 VanDerWaalsContact N-OH 3.1Å; T51-Y59 PolarHBondContact OG1-OH 3.13Å; K54-Y59 HydrophobicContact CB-CD2 4.24Å; K54-Y59 HydrophobicContact CB-CE2 3.47Å; K54-Y59 VanDerWaalsContact CB-CE2 3.47Å; K54-Y59 HydrophobicContact CD-CE2 3.77Å; K54-Y59 HydrophobicContact CG-CE2 4.26Å; R55-Y59 WeakPolarHBondContact O-CD2 3.3Å; L56-Y59 PolarHBondContact O-N 2.84Å; L56-Y59 VanDerWaalsContact O-N 3.17Å; S57-Y59 PolarHBondContact O-N 2.83Å; Y59-I61 PolarHBondContact O-N 2.89Å |
| 60 | N | 87 | Confident | 87.9 | Confident | 133 Ų | 133 | 64.1 Ų | 64.1 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40 | -174.7 | -62.1 | -97.9 | 0 | 0 | 0 | 111.6 | L56 S57 D58 G62 | L56-N60 PolarHBondContact O-N 2.93Å; S57-N60 WeakPolarHBondContact O-CA 3.48Å; S57-N60 PolarHBondContact O-N 3.46Å; D58-N60 VanDerWaalsContact C-N 3.33Å; N60-G62 PolarHBondContact O-N 2.89Å |
| 61 | I | 86.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -83.2 | 105.7 | 176.7 | -62.2 | 168.6 | 0 | 0 | 0 | 107.3 | M1 L3 F45 L50 L56 Y59 L67 | M1-I61 HydrophobicContact CE-CG2 4.4Å; M1-I61 VanDerWaalsContact SD-O 3.41Å; L3-I61 HydrophobicContact CD2-CG2 4.44Å; F45-I61 HydrophobicContact CB-CD1 4.44Å; F45-I61 HydrophobicContact CD1-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.44Å; F45-I61 HydrophobicContact CE1-CG1 3.81Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 3.96Å; F45-I61 HydrophobicContact CZ-CG1 4.29Å; L50-I61 HydrophobicContact CD1-CD1 3.76Å; L50-I61 HydrophobicContact CD2-CD1 4.01Å; L56-I61 HydrophobicContact CB-CB 4.18Å; L56-I61 HydrophobicContact CB-CD1 4.37Å; L56-I61 HydrophobicContact CD2-CD1 3.71Å; L56-I61 WeakPolarHBondContact O-CB 3.48Å; L56-I61 PolarHBondContact O-N 3.27Å; L56-I61 VanDerWaalsContact O-N 3.07Å; Y59-I61 PolarHBondContact O-N 2.89Å; I61-L67 HydrophobicContact CD1-CD2 4.44Å; I61-L67 HydrophobicContact CG2-CD1 4.38Å | ||
| 62 | G | 85.3 | Confident | 87.2 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | -97.5 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N60 S65 | N60-G62 PolarHBondContact O-N 2.89Å; G62-S65 PolarHBondContact N-OG 2.88Å; G62-S65 VanDerWaalsContact N-OG 3.09Å; G62-S65 WeakPolarHBondContact O-CB 3.44Å; G62-S65 PolarHBondContact O-N 2.79Å; G62-S65 PolarHBondContact O-OG 2.86Å | ||
| 63 | P | 85.9 | Confident | 86 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 143.8 | 172.9 | 26.7 | -33.8 | 0 | 0 | 0 | 111.5 | M1 Q2 S65 | M1-P63 HydrophobicContact CB-CB 4.11Å; Q2-P63 CarbonylContact O-C 3.57Å; P63-S65 PolarHBondContact O-N 3.03Å |
| 64 | N | 86.1 | Confident | 84.5 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 17.4 | -176.4 | -51.4 | -49.6 | 0 | 0 | 0 | 114.8 | Q2 | Q2-N64 WeakPolarHBondContact O-CA 3.45Å; Q2-N64 PolarHBondContact O-N 2.72Å |
| 65 | S | 89.9 | Confident | 82.5 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.4 | 174.1 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | T4 G62 P63 | T4-S65 PolarHBondContact N-O 2.78Å; G62-S65 PolarHBondContact N-OG 2.88Å; G62-S65 VanDerWaalsContact N-OG 3.09Å; G62-S65 WeakPolarHBondContact O-CB 3.44Å; G62-S65 PolarHBondContact O-N 2.79Å; G62-S65 PolarHBondContact O-OG 2.86Å; P63-S65 PolarHBondContact O-N 3.03Å |
| 66 | K | 90.9 | Very high | 80.2 | Confident | 154 Ų | 154 | 75.1 Ų | 75.1 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.4 | 175.8 | -63.2 | -172.6 | 179.3 | -174.6 | 0 | 110.7 | T4 | T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.38Å |
| 67 | L | 91.4 | Very high | 77.7 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.2 | 175.2 | -65 | 81.2 | 0 | 0 | 0 | 109.8 | L3 T4 V5 K6 L26 F45 L50 I61 | L3-L67 HydrophobicContact CB-CD1 4.12Å; L3-L67 HydrophobicContact CD1-CD1 3.97Å; L3-L67 HydrophobicContact CD2-CD1 4.35Å; L3-L67 HydrophobicContact CG-CD1 4.38Å; T4-L67 PolarHBondContact O-N 2.8Å; V5-L67 WeakPolarHBondContact CA-O 3.47Å; V5-L67 HydrophobicContact CG2-CB 4.36Å; K6-L67 PolarHBondContact N-O 2.82Å; L26-L67 HydrophobicContact CD2-CD2 3.67Å; F45-L67 HydrophobicContact CD2-CG 4.39Å; L50-L67 HydrophobicContact CD1-CD2 3.49Å; L50-L67 VanDerWaalsContact CD1-CD2 3.49Å; I61-L67 HydrophobicContact CD1-CD2 4.44Å; I61-L67 HydrophobicContact CG2-CD1 4.38Å |
| 68 | N | 90.6 | Very high | 75.9 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 43% | 0.433 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.9 | 174.4 | -64.5 | -86 | 0 | 0 | 0 | 109.3 | K6 L43 L44 | K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.36Å; L43-N68 CarbonylContact C-O 3.55Å; L43-N68 WeakPolarHBondContact CA-O 3.28Å; L44-N68 HydrophobicContact CB-CB 4.48Å; L44-N68 PolarHBondContact N-O 2.93Å; L44-N68 PolarHBondContact O-N 3.18Å |
| 69 | L | 89.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118 | 173.6 | 174 | 67.1 | 0 | 0 | 0 | 109.6 | V5 K6 A7 L8 V30 L34 V36 Q41 L43 V71 | V5-L69 HydrophobicContact CG1-CB 3.77Å; K6-L69 PolarHBondContact O-N 3.36Å; A7-L69 HydrophobicContact CB-CB 4.45Å; A7-L69 HydrophobicContact CB-CD2 4.29Å; L8-L69 PolarHBondContact N-O 3.12Å; V30-L69 HydrophobicContact CG1-CD2 3.75Å; L34-L69 HydrophobicContact CD1-CD2 3.59Å; V36-L69 HydrophobicContact CG2-CD2 4.44Å; Q41-L69 HydrophobicContact CB-CD1 3.58Å; Q41-L69 HydrophobicContact CG-CD1 3.77Å; L43-L69 HydrophobicContact CD2-CB 4.06Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å; L43-L69 HydrophobicContact CG-CD1 4.43Å; L69-V71 HydrophobicContact CG-CG2 4.48Å |
| 70 | V | 86.6 | Confident | 72 | Confident | 43 Ų | 43 | 93.5 Ų | 93.5 | 26% | 0.261 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.7 | 169.6 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | L8 R42 L44 | L8-V70 HydrophobicContact CD1-CB 4.18Å; L8-V70 HydrophobicContact CD1-CG1 3.92Å; L8-V70 HydrophobicContact CD1-CG2 3.91Å; L8-V70 HydrophobicContact CG-CG2 4.27Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.3Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 3.03Å; L44-V70 HydrophobicContact CD1-CB 4.02Å; L44-V70 HydrophobicContact CD1-CG2 3.41Å; L44-V70 VanDerWaalsContact CD1-CG2 3.41Å |
| 71 | V | 83.8 | Confident | 70 | Confident | 50 Ų | 50 | 95.4 Ų | 95.4 | 30% | 0.303 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.1 | 173.4 | -173 | 0 | 0 | 0 | 0 | 107.5 | V36 Q40 L69 | V36-V71 HydrophobicContact CG1-CG1 3.97Å; V36-V71 HydrophobicContact CG1-CG2 3.9Å; V36-V71 HydrophobicContact CG2-CG2 4.17Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; L69-V71 HydrophobicContact CG-CG2 4.48Å |
| 72 | K | 77 | Confident | 67.5 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 127.7 | 169.2 | -70.7 | -172.9 | 179 | 179.1 | 0 | 109.2 | Q40 R42 L74 | Q40-K72 WeakPolarHBondContact CB-O 3.47Å; Q40-K72 WeakPolarHBondContact CG-O 3.47Å; Q40-K72 PolarHBondContact O-N 3.1Å; R42-K72 VanDerWaalsContact NE-CE 3.34Å; R42-K72 VanDerWaalsContact NH1-CE 3.27Å; K72-L74 PolarHBondContact O-N 3.42Å |
| 73 | P | 60.4 | Low | 65.2 | Low | 125 Ų | 125 | 103 Ų | 103 | 81% | 0.812 | 56% | 0.558 | S | S | * | * | trans | -61.8 | 110.1 | 161.4 | -5.3 | 19.6 | 0 | 0 | 0 | 106.3 | E75 | P73-E75 PolarHBondContact O-N 3.24Å; P73-E75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | L | 54.7 | Low | 62.9 | Low | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | trans | -70.7 | 105.3 | 164.3 | -103.2 | 156.6 | 0 | 0 | 0 | 105.4 | R39 Q40 K72 K76 | R39-L74 HydrophobicContact CB-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CB 4.31Å; Q40-L74 HydrophobicContact CG-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CG 4.43Å; K72-L74 PolarHBondContact O-N 3.42Å; L74-K76 PolarHBondContact O-N 2.89Å | ||
| 75 | E | 45.6 | Very low | 60.7 | Low | 171 Ų | 171 | 105.9 Ų | 105.9 | 80% | 0.799 | 57% | 0.573 | S | S | * | * | trans | -48 | 132 | 162.1 | -167.6 | 121.9 | 81.1 | 0 | 0 | 107.8 | P73 V77 | P73-E75 PolarHBondContact O-N 3.24Å; P73-E75 VanDerWaalsContact O-N 3.12Å; E75-V77 PolarHBondContact O-N 2.82Å | ||
| 76 | K | 43.3 | Very low | 58.7 | Low | 201 Ų | 201 | 116 Ų | 116 | 87% | 0.874 | 61% | 0.609 | S | S | * | * | trans | -55.9 | 98.1 | -178.3 | -74.6 | 174.7 | 175.4 | 175.9 | 0 | 110.2 | L74 | L74-K76 PolarHBondContact O-N 2.89Š| ||
| 77 | V | 36.6 | Very low | 56.3 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 75% | 0.745 | 62% | 0.618 | S | S | * | * | trans | -127.6 | 83.3 | 156.5 | -175.2 | 0 | 0 | 0 | 0 | 104.8 | E75 | E75-V77 PolarHBondContact O-N 2.82Š| ||
| 78 | L | 49.5 | Very low | 53.8 | Low | 138 Ų | 138 | 123.5 Ų | 123.5 | 72% | 0.723 | 66% | 0.66 | S | S | * | * | 66.4 | 111.2 | 104.5 | -68.9 | 173.4 | 0 | 0 | 0 | 112.7 | |||||
| 79 | L | 44.3 | Very low | 51.3 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | 68 | 115.9 | 142.1 | -57 | 167.6 | 0 | 0 | 0 | 118.4 | ||||
| 80 | E | 46 | Very low | 48.6 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | trans | 70.3 | 143.4 | 131.2 | -70.7 | -156.8 | 126.4 | 0 | 0 | 119.3 | ||||
| 81 | E | 46.5 | Very low | 46.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | cis | -155.2 | 165.1 | -7.1 | -85.8 | -140 | 89 | 0 | 0 | 106.6 | ||||
| 82 | G | 34.3 | Very low | 44.6 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 162.3 | 61.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 83 | S | 37.5 | Very low | 43.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 38.9 | 128.1 | 142.3 | 57.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 84 | A | 37.4 | Very low | 43.9 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | cis | -166.8 | 144.9 | 29.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 85 | H | 40.1 | Very low | 45.1 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | -160.7 | 139.2 | 59.9 | -98.2 | 70.2 | 0 | 0 | 0 | 111 | |||||
| 86 | R | 46.3 | Very low | 46.9 | Very low | 231 Ų | 231 | 128.5 Ų | 128.5 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -43.4 | 145.3 | 169 | -70.3 | 163.8 | 165.7 | 162.9 | -4.4 | 113.3 | ||||
| 87 | L | 41.6 | Very low | 48.6 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 69% | 0.691 | S | S | * | * | S | Bend | -162.3 | 153.2 | 64 | -71.4 | 162.8 | 0 | 0 | 0 | 110.6 | |||
| 88 | V | 37.9 | Very low | 50.8 | Low | 147 Ų | 147 | 122.8 Ų | 122.8 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | trans | 90.4 | 62.5 | -172.1 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | S90 | V88-S90 PolarHBondContact O-N 3.29Š| ||
| 89 | D | 37.9 | Very low | 52.5 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | trans | -80.1 | 104 | 163.9 | -165.5 | -91.7 | 0 | 0 | 0 | 109.2 | ||||
| 90 | S | 32.8 | Very low | 54.3 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | trans | -147.9 | 126.5 | 133.9 | -177.8 | 0 | 0 | 0 | 0 | 104.3 | V88 | V88-S90 PolarHBondContact O-N 3.29Š| ||
| 91 | P | 43.5 | Very low | 56 | Low | 92 Ų | 92 | 112 Ų | 112 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.4 | 161.4 | 23.3 | -30.1 | 0 | 0 | 0 | 105.9 | ||
| 92 | P | 43.7 | Very low | 57.9 | Low | 112 Ų | 112 | 107.4 Ų | 107.4 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 126.9 | 171.2 | 21.8 | -30.7 | 0 | 0 | 0 | 105 | P94 | P92-P94 VanDerWaalsContact O-N 3.14Š|
| 93 | P | 51.9 | Low | 60.3 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 47% | 0.468 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -48.9 | 133.4 | -178.5 | 18.9 | -30.4 | 0 | 0 | 0 | 106.1 | L95 Q97 | P93-L95 PolarHBondContact O-N 3.41Å; P93-Q97 HydrophobicContact CB-CB 4.41Å |
| 94 | P | 71.6 | Confident | 62.6 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | trans | -44.3 | 127.6 | 178.3 | -20.9 | 24.6 | 0 | 0 | 0 | 106.3 | P92 W96 Q97 L98 | P92-P94 VanDerWaalsContact O-N 3.14Å; P94-W96 CarbonylContact O-C 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å; P94-Q97 HydrophobicContact CB-CB 4.35Å; P94-Q97 HydrophobicContact CB-CG 3.9Å; P94-Q97 HydrophobicContact CG-CB 4.32Å; P94-Q97 HydrophobicContact CG-CG 3.62Å; P94-Q97 WeakPolarHBondContact O-CA 3.35Å; P94-Q97 VanDerWaalsContact O-CB 3.3Å; P94-Q97 WeakPolarHBondContact O-CB 3.36Å; P94-Q97 PolarHBondContact O-N 3.49Å; P94-L98 PolarHBondContact O-N 3.47Å | ||
| 95 | L | 79.3 | Confident | 64.9 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -43.6 | -37.8 | -175.2 | 173.7 | 65.7 | 0 | 0 | 0 | 111.3 | P93 L98 I99 | P93-L95 PolarHBondContact O-N 3.41Å; L95-L98 PolarHBondContact O-N 2.65Å; L95-I99 HydrophobicContact CD1-CD1 4.13Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.77Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.25Å; L95-I99 PolarHBondContact O-N 2.86Å |
| 96 | W | 82.9 | Confident | 67.1 | Low | 54 Ų | 54 | 106.5 Ų | 106.5 | 21% | 0.205 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -61.8 | -34.9 | 173.6 | -53 | 128.5 | 0 | 0 | 0 | 115.7 | P94 I99 S100 L116 L119 Q120 Y123 | P94-W96 CarbonylContact O-C 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.57Å; W96-S100 WeakPolarHBondContact O-CB 3.39Å; W96-S100 PolarHBondContact O-N 3.28Å; W96-L116 HydrophobicContact CB-CD1 4.15Å; W96-L116 HydrophobicContact CE3-CD1 4.12Å; W96-L116 WeakPolarHBondContact O-CD1 3.1Å; W96-L119 HydrophobicContact CE3-CD2 4.47Å; W96-L119 HydrophobicContact CH2-CG 4.39Å; W96-L119 HydrophobicContact CZ3-CD2 3.74Å; W96-L119 HydrophobicContact CZ3-CG 3.84Å; W96-Q120 HydrophobicContact CZ2-CG 4.46Å; W96-Y123 HydrophobicContact CH2-CD1 4.34Å; W96-Y123 HydrophobicContact CH2-CG 4.05Å; W96-Y123 AromaticContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CE1 4.43Å; W96-Y123 HydrophobicContact CZ2-CG 4.06Å |
| 97 | Q | 79.6 | Confident | 69 | Low | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 170.5 | -68.7 | -63.8 | -53.1 | 0 | 0 | 112.2 | P93 P94 S100 K101 | P93-Q97 HydrophobicContact CB-CB 4.41Å; P94-Q97 HydrophobicContact CB-CB 4.35Å; P94-Q97 HydrophobicContact CB-CG 3.9Å; P94-Q97 HydrophobicContact CG-CB 4.32Å; P94-Q97 HydrophobicContact CG-CG 3.62Å; P94-Q97 WeakPolarHBondContact O-CA 3.35Å; P94-Q97 VanDerWaalsContact O-CB 3.3Å; P94-Q97 WeakPolarHBondContact O-CB 3.36Å; P94-Q97 PolarHBondContact O-N 3.49Å; Q97-S100 PolarHBondContact O-N 3.17Å; Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.28Å |
| 98 | L | 83.4 | Confident | 71.1 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 174.5 | -173.7 | 64.5 | 0 | 0 | 0 | 110.7 | P94 L95 S100 K101 V102 | P94-L98 PolarHBondContact O-N 3.47Å; L95-L98 PolarHBondContact O-N 2.65Å; L98-S100 VanDerWaalsContact C-N 3.34Å; L98-S100 PolarHBondContact O-N 3.16Å; L98-K101 PolarHBondContact O-N 2.76Å; L98-V102 WeakPolarHBondContact O-CG2 3.4Å; L98-V102 PolarHBondContact O-N 3.13Å |
| 99 | I | 83.7 | Confident | 72.8 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 21% | 0.205 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.7 | -67.5 | 165.9 | 0 | 0 | 0 | 110.3 | L95 W96 K101 V102 L103 L116 L119 | L95-I99 HydrophobicContact CD1-CD1 4.13Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.77Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.25Å; L95-I99 PolarHBondContact O-N 2.86Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.57Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.21Å; I99-V102 PolarHBondContact O-N 3.15Å; I99-V102 VanDerWaalsContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.76Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.32Å; I99-L116 HydrophobicContact CB-CD1 4.29Å; I99-L116 HydrophobicContact CG2-CD1 3.95Å; I99-L119 HydrophobicContact CD1-CD2 4.31Å; I99-L119 HydrophobicContact CG2-CD2 4.01Å |
| 100 | S | 81.8 | Confident | 74.6 | Confident | 29 Ų | 29 | 89.8 Ų | 89.8 | 20% | 0.203 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | W96 Q97 L98 V102 L103 A104 | W96-S100 WeakPolarHBondContact O-CB 3.39Å; W96-S100 PolarHBondContact O-N 3.28Å; Q97-S100 PolarHBondContact O-N 3.17Å; L98-S100 VanDerWaalsContact C-N 3.34Å; L98-S100 PolarHBondContact O-N 3.16Å; S100-V102 VanDerWaalsContact C-N 3.31Å; S100-V102 PolarHBondContact O-N 3Å; S100-L103 PolarHBondContact O-N 2.91Å; S100-A104 VanDerWaalsContact O-CB 3.25Å; S100-A104 WeakPolarHBondContact O-CB 3.48Å; S100-A104 PolarHBondContact O-N 3.2Å |
| 101 | K | 82.3 | Confident | 76.9 | Confident | 145 Ų | 145 | 88.8 Ų | 88.8 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.5 | -35.6 | 176.5 | -173.3 | 175.7 | -177.7 | 176.3 | 0 | 112.7 | Q97 L98 I99 | Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.28Å; L98-K101 PolarHBondContact O-N 2.76Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.21Å |
| 102 | V | 87.3 | Confident | 78.6 | Confident | 78 Ų | 78 | 84.7 Ų | 84.7 | 47% | 0.473 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | L98 I99 S100 A104 R105 | L98-V102 WeakPolarHBondContact O-CG2 3.4Å; L98-V102 PolarHBondContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 3.15Å; I99-V102 VanDerWaalsContact O-N 3.16Å; S100-V102 VanDerWaalsContact C-N 3.31Å; S100-V102 PolarHBondContact O-N 3Å; V102-A104 VanDerWaalsContact C-N 3.35Å; V102-A104 PolarHBondContact O-N 2.84Å; V102-R105 WeakPolarHBondContact O-CB 3.45Å; V102-R105 PolarHBondContact O-N 3.23Å |
| 103 | L | 84.8 | Confident | 80.1 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.7 | -71.4 | 172.1 | 0 | 0 | 0 | 111.8 | I99 S100 R105 H106 F107 T112 V115 L116 | I99-L103 HydrophobicContact CG2-CD1 3.76Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.32Å; S100-L103 PolarHBondContact O-N 2.91Å; L103-R105 PolarHBondContact O-N 3.26Å; L103-R105 VanDerWaalsContact O-N 3.08Å; L103-H106 PolarHBondContact O-N 2.81Å; L103-F107 HydrophobicContact CB-CD2 4.41Å; L103-F107 HydrophobicContact CD2-CD2 3.92Å; L103-F107 HydrophobicContact CD2-CE2 3.91Å; L103-F107 WeakPolarHBondContact O-CD2 3.39Å; L103-F107 PolarHBondContact O-N 3.11Å; L103-T112 HydrophobicContact CB-CG2 3.64Å; L103-T112 HydrophobicContact CD1-CG2 4.48Å; L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 3.91Å; L103-V115 HydrophobicContact CD2-CG1 3.98Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD1 4.5Å |
| 104 | A | 84.3 | Confident | 81.5 | Confident | 60 Ų | 60 | 87 Ų | 87 | 50% | 0.496 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S100 V102 H106 T112 | S100-A104 VanDerWaalsContact O-CB 3.25Å; S100-A104 WeakPolarHBondContact O-CB 3.48Å; S100-A104 PolarHBondContact O-N 3.2Å; V102-A104 VanDerWaalsContact C-N 3.35Å; V102-A104 PolarHBondContact O-N 2.84Å; A104-H106 VanDerWaalsContact C-N 3.34Å; A104-T112 HydrophobicContact CB-CG2 4.42Å |
| 105 | R | 86.5 | Confident | 82.1 | Confident | 199 Ų | 199 | 86 Ų | 86 | 75% | 0.751 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.9 | 172.4 | -72.1 | 175.1 | 149.5 | -176.5 | -7.2 | 113.4 | V102 L103 | V102-R105 WeakPolarHBondContact O-CB 3.45Å; V102-R105 PolarHBondContact O-N 3.23Å; L103-R105 PolarHBondContact O-N 3.26Å; L103-R105 VanDerWaalsContact O-N 3.08Å |
| 106 | H | 85.9 | Confident | 82.3 | Confident | 152 Ų | 152 | 82.1 Ų | 82.1 | 70% | 0.704 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -17.1 | -171.6 | -66.3 | -78 | 0 | 0 | 0 | 114 | L103 A104 | L103-H106 PolarHBondContact O-N 2.81Å; A104-H106 VanDerWaalsContact C-N 3.34Å |
| 107 | F | 86.1 | Confident | 82 | Confident | 106 Ų | 106 | 84.2 Ų | 84.2 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -126.5 | 160.3 | -174.4 | -66.8 | -81.4 | 0 | 0 | 0 | 111.8 | L103 D111 | L103-F107 HydrophobicContact CB-CD2 4.41Å; L103-F107 HydrophobicContact CD2-CD2 3.92Å; L103-F107 HydrophobicContact CD2-CE2 3.91Å; L103-F107 WeakPolarHBondContact O-CD2 3.39Å; L103-F107 PolarHBondContact O-N 3.11Å; F107-D111 HydrophobicContact CB-CB 4.12Å; F107-D111 HydrophobicContact CD1-CB 4.32Å |
| 108 | S | 85.3 | Confident | 82.3 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | trans | -62.7 | 160.5 | 168.6 | 81.9 | 0 | 0 | 0 | 0 | 110.4 | A110 D111 T112 | S108-A110 PolarHBondContact O-N 2.93Å; S108-D111 WeakPolarHBondContact CB-OD2 3.18Å; S108-D111 PolarHBondContact O-N 3.4Å; S108-D111 WeakPolarHBondContact OG-CB 3.28Å; S108-D111 PolarHBondContact OG-N 3.08Å; S108-D111 VanDerWaalsContact OG-N 3.07Å; S108-D111 PolarHBondContact OG-OD2 2.94Å; S108-T112 VanDerWaalsContact O-CB 3.3Å; S108-T112 WeakPolarHBondContact O-CB 3.44Å; S108-T112 PolarHBondContact O-N 3.45Å; S108-T112 PolarHBondContact O-OG1 2.88Å | ||
| 109 | V | 74.4 | Confident | 82.5 | Confident | 122 Ų | 122 | 83.1 Ų | 83.1 | 74% | 0.739 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | S113 | V109-S113 PolarHBondContact O-N 2.83Å; V109-S113 VanDerWaalsContact O-N 3.11Å; V109-S113 PolarHBondContact O-OG 3.25Å |
| 110 | A | 76.1 | Confident | 82.4 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S108 S113 R114 | S108-A110 PolarHBondContact O-N 2.93Å; A110-S113 PolarHBondContact O-N 3.15Å; A110-R114 WeakPolarHBondContact O-CG 3.28Å; A110-R114 PolarHBondContact O-N 2.84Å; A110-R114 VanDerWaalsContact O-N 3.1Å |
| 111 | D | 80.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 35% | 0.353 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 178.9 | -63.7 | -47.5 | 0 | 0 | 0 | 111.7 | F107 S108 S113 R114 V115 | F107-D111 HydrophobicContact CB-CB 4.12Å; F107-D111 HydrophobicContact CD1-CB 4.32Å; S108-D111 WeakPolarHBondContact CB-OD2 3.18Å; S108-D111 PolarHBondContact O-N 3.4Å; S108-D111 WeakPolarHBondContact OG-CB 3.28Å; S108-D111 PolarHBondContact OG-N 3.08Å; S108-D111 VanDerWaalsContact OG-N 3.07Å; S108-D111 PolarHBondContact OG-OD2 2.94Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.24Å; D111-R114 PolarHBondContact O-N 3.37Å; D111-V115 WeakPolarHBondContact O-CB 3.22Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 2.85Å |
| 112 | T | 79.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 88.2 Ų | 88.2 | 4% | 0.037 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | L103 A104 S108 L116 | L103-T112 HydrophobicContact CB-CG2 3.64Å; L103-T112 HydrophobicContact CD1-CG2 4.48Å; A104-T112 HydrophobicContact CB-CG2 4.42Å; S108-T112 VanDerWaalsContact O-CB 3.3Å; S108-T112 WeakPolarHBondContact O-CB 3.44Å; S108-T112 PolarHBondContact O-N 3.45Å; S108-T112 PolarHBondContact O-OG1 2.88Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 PolarHBondContact O-N 3.46Å |
| 113 | S | 75.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 90.3 Ų | 90.3 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.4 | -65.7 | 0 | 0 | 0 | 0 | 112 | V109 A110 D111 L116 E117 | V109-S113 PolarHBondContact O-N 2.83Å; V109-S113 VanDerWaalsContact O-N 3.11Å; V109-S113 PolarHBondContact O-OG 3.25Å; A110-S113 PolarHBondContact O-N 3.15Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.24Å; S113-L116 PolarHBondContact O-N 3.44Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 WeakPolarHBondContact O-CG 3.44Å; S113-E117 PolarHBondContact O-N 3.22Å |
| 114 | R | 81.1 | Confident | 81.8 | Confident | 171 Ų | 171 | 93.9 Ų | 93.9 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | -179.4 | -69.1 | 176.5 | 74.7 | -137.5 | 0.9 | 112.7 | A110 D111 Q118 | A110-R114 WeakPolarHBondContact O-CG 3.28Å; A110-R114 PolarHBondContact O-N 2.84Å; A110-R114 VanDerWaalsContact O-N 3.1Å; D111-R114 PolarHBondContact O-N 3.37Å; R114-Q118 WeakPolarHBondContact O-CB 3.3Å; R114-Q118 PolarHBondContact O-N 2.91Å |
| 115 | V | 84.8 | Confident | 81.5 | Confident | 60 Ų | 60 | 98.8 Ų | 98.8 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L103 D111 Q118 L119 | L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 3.91Å; L103-V115 HydrophobicContact CD2-CG1 3.98Å; D111-V115 WeakPolarHBondContact O-CB 3.22Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 2.85Å; V115-Q118 PolarHBondContact O-N 3.38Å; V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.62Å |
| 116 | L | 82.1 | Confident | 81.1 | Confident | 24 Ų | 24 | 92.3 Ų | 92.3 | 13% | 0.126 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 178.4 | -172.7 | 71.1 | 0 | 0 | 0 | 111.9 | W96 I99 L103 T112 S113 Q118 L119 Q120 | W96-L116 HydrophobicContact CB-CD1 4.15Å; W96-L116 HydrophobicContact CE3-CD1 4.12Å; W96-L116 WeakPolarHBondContact O-CD1 3.1Å; I99-L116 HydrophobicContact CB-CD1 4.29Å; I99-L116 HydrophobicContact CG2-CD1 3.95Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD1 4.5Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 PolarHBondContact O-N 3.46Å; S113-L116 PolarHBondContact O-N 3.44Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.01Å; L116-L119 PolarHBondContact O-N 3.07Å; L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 3.1Å |
| 117 | E | 77.9 | Confident | 80.8 | Confident | 98 Ų | 98 | 89.2 Ų | 89.2 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.7 | -81.3 | -163.8 | 79.6 | 0 | 0 | 111.9 | S113 Q120 R121 | S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 WeakPolarHBondContact O-CG 3.44Å; S113-E117 PolarHBondContact O-N 3.22Å; E117-Q120 PolarHBondContact O-N 3.02Å; E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH2 2.85Å; E117-R121 PolarHBondContact OE1-NH2 3.36Å |
| 118 | Q | 85.3 | Confident | 80.3 | Confident | 109 Ų | 109 | 88.5 Ų | 88.5 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 179.7 | -172.4 | 59.2 | 30.3 | 0 | 0 | 111.6 | R114 V115 L116 R121 D122 | R114-Q118 WeakPolarHBondContact O-CB 3.3Å; R114-Q118 PolarHBondContact O-N 2.91Å; V115-Q118 PolarHBondContact O-N 3.38Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.01Å; Q118-R121 PolarHBondContact O-N 2.93Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.37Å |
| 119 | L | 86.9 | Confident | 80.1 | Confident | 72 Ų | 72 | 95 Ų | 95 | 38% | 0.377 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.3 | -176.6 | 64.5 | 0 | 0 | 0 | 111.6 | W96 I99 V115 L116 D122 Y123 | W96-L119 HydrophobicContact CE3-CD2 4.47Å; W96-L119 HydrophobicContact CH2-CG 4.39Å; W96-L119 HydrophobicContact CZ3-CD2 3.74Å; W96-L119 HydrophobicContact CZ3-CG 3.84Å; I99-L119 HydrophobicContact CD1-CD2 4.31Å; I99-L119 HydrophobicContact CG2-CD2 4.01Å; V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.62Å; L116-L119 PolarHBondContact O-N 3.07Å; L119-D122 PolarHBondContact O-N 3.44Å; L119-Y123 WeakPolarHBondContact O-CB 3.39Å; L119-Y123 PolarHBondContact O-N 2.88Å |
| 120 | Q | 82.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.4 | -172.4 | 177.1 | -27 | 0 | 0 | 111.7 | W96 L116 E117 Y123 D124 | W96-Q120 HydrophobicContact CZ2-CG 4.46Å; L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 3.1Å; E117-Q120 PolarHBondContact O-N 3.02Å; Q120-Y123 PolarHBondContact O-N 2.9Å; Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 PolarHBondContact O-N 2.95Å |
| 121 | R | 78.6 | Confident | 80.9 | Confident | 132 Ų | 132 | 92.4 Ų | 92.4 | 50% | 0.498 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.2 | -74 | -176.4 | -144.2 | 133.6 | 2.5 | 112.7 | E117 Q118 R125 | E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH2 2.85Å; E117-R121 PolarHBondContact OE1-NH2 3.36Å; Q118-R121 PolarHBondContact O-N 2.93Å; R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 3.41Å |
| 122 | D | 82.3 | Confident | 80.8 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 178.2 | -167.7 | -104.7 | 0 | 0 | 0 | 111.2 | Q118 L119 R125 S126 | Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.37Å; L119-D122 PolarHBondContact O-N 3.44Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-S126 VanDerWaalsContact O-CB 3.31Å; D122-S126 WeakPolarHBondContact O-CB 3.28Å; D122-S126 PolarHBondContact O-N 3.34Å |
| 123 | Y | 84.2 | Confident | 80.9 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 48% | 0.475 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 174.8 | -175.2 | -100.7 | 0 | 0 | 0 | 112.2 | W96 L119 Q120 R125 S126 L127 | W96-Y123 HydrophobicContact CH2-CD1 4.34Å; W96-Y123 HydrophobicContact CH2-CG 4.05Å; W96-Y123 AromaticContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CE1 4.43Å; W96-Y123 HydrophobicContact CZ2-CG 4.06Å; L119-Y123 WeakPolarHBondContact O-CB 3.39Å; L119-Y123 PolarHBondContact O-N 2.88Å; Q120-Y123 PolarHBondContact O-N 2.9Å; Y123-R125 PolarHBondContact O-N 3.25Å; Y123-S126 PolarHBondContact O-N 3.37Å; Y123-L127 HydrophobicContact CD1-CD1 3.8Å; Y123-L127 HydrophobicContact CD1-CG 4.34Å; Y123-L127 HydrophobicContact CE1-CD1 3.28Å; Y123-L127 HydrophobicContact CE1-CG 4Å; Y123-L127 WeakPolarHBondContact O-CG 3.3Å; Y123-L127 PolarHBondContact O-N 3.36Å |
| 124 | D | 78.1 | Confident | 81.3 | Confident | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.3 | -174.5 | -96.9 | 0 | 0 | 0 | 112.4 | Q120 S126 L127 S128 | Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 PolarHBondContact O-N 2.95Å; D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 3Å; D124-L127 PolarHBondContact O-N 3.48Å; D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 2.84Å; D124-S128 PolarHBondContact O-OG 2.86Å |
| 125 | R | 77.3 | Confident | 81.5 | Confident | 164 Ų | 164 | 96 Ų | 96 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 173.9 | -178.7 | -174.2 | -66.9 | -112.3 | -1 | 111.7 | R121 D122 Y123 S128 R129 | R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 3.41Å; D122-R125 PolarHBondContact O-N 3.49Å; Y123-R125 PolarHBondContact O-N 3.25Å; R125-S128 PolarHBondContact O-N 3.16Å; R125-R129 WeakPolarHBondContact O-CB 3.32Å; R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.44Å; R125-R129 PolarHBondContact O-N 2.89Å |
| 126 | S | 79.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | D122 Y123 D124 S128 R129 L130 | D122-S126 VanDerWaalsContact O-CB 3.31Å; D122-S126 WeakPolarHBondContact O-CB 3.28Å; D122-S126 PolarHBondContact O-N 3.34Å; Y123-S126 PolarHBondContact O-N 3.37Å; D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 3Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 2.84Å; S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 78.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 105.9 Ų | 105.9 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 173.6 | -75.1 | -179.8 | 0 | 0 | 0 | 112.4 | Y123 D124 R129 L130 | Y123-L127 HydrophobicContact CD1-CD1 3.8Å; Y123-L127 HydrophobicContact CD1-CG 4.34Å; Y123-L127 HydrophobicContact CE1-CD1 3.28Å; Y123-L127 HydrophobicContact CE1-CG 4Å; Y123-L127 WeakPolarHBondContact O-CG 3.3Å; Y123-L127 PolarHBondContact O-N 3.36Å; D124-L127 PolarHBondContact O-N 3.48Å; L127-R129 PolarHBondContact O-N 3.09Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.35Å; L127-L130 PolarHBondContact O-N 3.5Å |
| 128 | S | 75.5 | Confident | 81.7 | Confident | 91 Ų | 91 | 105.2 Ų | 105.2 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -23.9 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | D124 R125 S126 | D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 2.84Å; D124-S128 PolarHBondContact O-OG 2.86Å; R125-S128 PolarHBondContact O-N 3.16Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 3.45Å |
| 129 | R | 81.8 | Confident | 81.5 | Confident | 193 Ų | 193 | 101.9 Ų | 101.9 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.3 | 177.4 | -71 | 177 | 68.7 | -156.3 | 0.7 | 113.1 | R125 S126 L127 T131 | R125-R129 WeakPolarHBondContact O-CB 3.32Å; R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.44Å; R125-R129 PolarHBondContact O-N 2.89Å; S126-R129 PolarHBondContact O-N 2.84Å; L127-R129 PolarHBondContact O-N 3.09Å; R129-T131 PolarHBondContact O-N 3.29Å |
| 130 | L | 83.4 | Confident | 81.1 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 34% | 0.335 | 50% | 0.499 | S | S | . | . | trans | -67.5 | 119.9 | -176.3 | -142.7 | 85.2 | 0 | 0 | 0 | 109.4 | S126 L127 D134 I135 | S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.1Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.35Å; L127-L130 PolarHBondContact O-N 3.5Å; L130-D134 HydrophobicContact CG-CB 4.26Å; L130-I135 HydrophobicContact CD2-CD1 4.02Å; L130-I135 HydrophobicContact CD2-CG1 3.41Å; L130-I135 VanDerWaalsContact CD2-CG1 3.41Å; L130-I135 HydrophobicContact CG-CG1 4.11Å | ||
| 131 | T | 84.8 | Confident | 80.9 | Confident | 69 Ų | 69 | 104.7 Ų | 104.7 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | trans | -92 | 167.2 | 177.5 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | R129 D133 D134 I135 | R129-T131 PolarHBondContact O-N 3.29Å; T131-D133 VanDerWaalsContact C-N 3.3Å; T131-D133 PolarHBondContact O-N 3.02Å; T131-D134 WeakPolarHBondContact CB-OD2 3.45Å; T131-D134 PolarHBondContact N-OD2 3.24Å; T131-D134 VanDerWaalsContact N-OD2 3.11Å; T131-D134 PolarHBondContact O-N 2.87Å; T131-D134 VanDerWaalsContact OG1-CG 3.26Å; T131-D134 PolarHBondContact OG1-N 3.41Å; T131-D134 PolarHBondContact OG1-OD2 3.44Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 3.09Å; T131-I135 VanDerWaalsContact O-N 3.09Å | ||
| 132 | L | 77.9 | Confident | 80.8 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 67% | 0.665 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 175.4 | -162.9 | 101.3 | 0 | 0 | 0 | 111 | D134 I135 E136 | L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.29Å; L132-I135 PolarHBondContact O-N 2.87Å; L132-I135 VanDerWaalsContact O-N 3.16Å; L132-E136 WeakPolarHBondContact O-CG 3.46Å; L132-E136 PolarHBondContact O-N 2.73Å |
| 133 | D | 82.3 | Confident | 80.7 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 174.4 | -80.9 | -98.5 | 0 | 0 | 0 | 112.9 | T131 I135 E136 R137 | T131-D133 VanDerWaalsContact C-N 3.3Å; T131-D133 PolarHBondContact O-N 3.02Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.49Å; D133-E136 PolarHBondContact O-N 3.37Å; D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.28Å; D133-R137 PolarHBondContact O-N 2.96Å |
| 134 | D | 83 | Confident | 80.1 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 34% | 0.342 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 177.2 | -66 | -54.8 | 0 | 0 | 0 | 111.5 | L130 T131 L132 L138 | L130-D134 HydrophobicContact CG-CB 4.26Å; T131-D134 WeakPolarHBondContact CB-OD2 3.45Å; T131-D134 PolarHBondContact N-OD2 3.24Å; T131-D134 VanDerWaalsContact N-OD2 3.11Å; T131-D134 PolarHBondContact O-N 2.87Å; T131-D134 VanDerWaalsContact OG1-CG 3.26Å; T131-D134 PolarHBondContact OG1-N 3.41Å; T131-D134 PolarHBondContact OG1-OD2 3.44Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.49Å; D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 PolarHBondContact O-N 2.97Å |
| 135 | I | 86.1 | Confident | 79.3 | Confident | 87 Ų | 87 | 106 Ų | 106 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 176.4 | -64.1 | 164.7 | 0 | 0 | 0 | 110.4 | L130 T131 L132 D133 R137 L138 A139 | L130-I135 HydrophobicContact CD2-CD1 4.02Å; L130-I135 HydrophobicContact CD2-CG1 3.41Å; L130-I135 VanDerWaalsContact CD2-CG1 3.41Å; L130-I135 HydrophobicContact CG-CG1 4.11Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 3.09Å; T131-I135 VanDerWaalsContact O-N 3.09Å; L132-I135 WeakPolarHBondContact O-CB 3.29Å; L132-I135 PolarHBondContact O-N 2.87Å; L132-I135 VanDerWaalsContact O-N 3.16Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.49Å; I135-R137 PolarHBondContact O-N 2.94Å; I135-L138 PolarHBondContact O-N 3.33Å; I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.45Å |
| 136 | E | 81 | Confident | 78.2 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.2 | -75 | -175.5 | 109.6 | 0 | 0 | 111.9 | L132 D133 A139 S140 | L132-E136 WeakPolarHBondContact O-CG 3.46Å; L132-E136 PolarHBondContact O-N 2.73Å; D133-E136 PolarHBondContact O-N 3.37Å; E136-A139 PolarHBondContact O-N 3.05Å; E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.46Å |
| 137 | R | 83 | Confident | 76.9 | Confident | 184 Ų | 184 | 108 Ų | 108 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 172.7 | -78.4 | 177.8 | 174.6 | -179.3 | -0.4 | 112.4 | D133 I135 S140 R141 | D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.28Å; D133-R137 PolarHBondContact O-N 2.96Å; I135-R137 PolarHBondContact O-N 2.94Å; R137-S140 PolarHBondContact O-N 3.2Å; R137-R141 PolarHBondContact O-N 3.3Å; R137-R141 VanDerWaalsContact O-N 3.09Å |
| 138 | L | 83.3 | Confident | 75.5 | Confident | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 175.1 | -94.3 | 161.5 | 0 | 0 | 0 | 111.1 | D134 I135 S140 R141 F142 | D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 PolarHBondContact O-N 2.97Å; I135-L138 PolarHBondContact O-N 3.33Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.5Å; L138-R141 PolarHBondContact O-N 3.4Å; L138-F142 HydrophobicContact CD2-CD2 4.36Å; L138-F142 HydrophobicContact CD2-CE2 3.9Å; L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 2.62Å |
| 139 | A | 81.1 | Confident | 74.2 | Confident | 40 Ų | 40 | 109 Ų | 109 | 33% | 0.331 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | I135 E136 R141 F142 L143 | I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.45Å; E136-A139 PolarHBondContact O-N 3.05Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 2.8Å; A139-F142 PolarHBondContact O-N 3.11Å; A139-L143 HydrophobicContact CB-CD1 4.26Å; A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.41Å; A139-L143 PolarHBondContact O-N 3.2Å |
| 140 | S | 79.4 | Confident | 72.5 | Confident | 60 Ų | 60 | 104.2 Ų | 104.2 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 178 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | E136 R137 L138 F142 H144 | E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.46Å; R137-S140 PolarHBondContact O-N 3.2Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.5Å; S140-F142 PolarHBondContact O-N 3.31Å; S140-H144 CarbonylContact O-C 3.54Å; S140-H144 VanDerWaalsContact O-C 3.31Å; S140-H144 VanDerWaalsContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CB 3.45Å; S140-H144 PolarHBondContact O-N 3.1Å |
| 141 | R | 77.4 | Confident | 70.8 | Confident | 166 Ų | 166 | 108.7 Ų | 108.7 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -36.5 | 178.3 | -175.1 | 178 | 179.4 | -174.6 | 1.3 | 113.5 | R137 L138 A139 T148 | R137-R141 PolarHBondContact O-N 3.3Å; R137-R141 VanDerWaalsContact O-N 3.09Å; L138-R141 PolarHBondContact O-N 3.4Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 2.8Å; R141-T148 HydrophobicContact CB-CG2 4.45Å; R141-T148 HydrophobicContact CG-CG2 4.43Å |
| 142 | F | 77.1 | Confident | 69.1 | Low | 155 Ų | 155 | 114 Ų | 114 | 68% | 0.68 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -92.5 | -27.6 | -176.9 | -77 | -77.7 | 0 | 0 | 0 | 113.7 | L138 A139 S140 | L138-F142 HydrophobicContact CD2-CD2 4.36Å; L138-F142 HydrophobicContact CD2-CE2 3.9Å; L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 2.62Å; A139-F142 PolarHBondContact O-N 3.11Å; S140-F142 PolarHBondContact O-N 3.31Å |
| 143 | L | 80 | Confident | 67.6 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -98.3 | -24.1 | -177.5 | -58.9 | 175.6 | 0 | 0 | 0 | 112.8 | A139 | A139-L143 HydrophobicContact CB-CD1 4.26Å; A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.41Å; A139-L143 PolarHBondContact O-N 3.2Å |
| 144 | H | 71.1 | Confident | 65.9 | Low | 117 Ų | 117 | 113.9 Ų | 113.9 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | trans | -132.4 | 68.8 | -179.8 | -61.5 | -70.5 | 0 | 0 | 0 | 111.4 | S140 E146 V147 | S140-H144 CarbonylContact O-C 3.54Å; S140-H144 VanDerWaalsContact O-C 3.31Å; S140-H144 VanDerWaalsContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CB 3.45Å; S140-H144 PolarHBondContact O-N 3.1Å; H144-E146 PolarHBondContact O-N 3.4Å; H144-E146 VanDerWaalsContact O-N 3.14Å; H144-V147 PolarHBondContact O-N 3.44Å | ||
| 145 | P | 61.4 | Low | 64.2 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 51% | 0.506 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.2 | -20.5 | -176.9 | 25.7 | -34.4 | 0 | 0 | 0 | 114 | V147 T148 | P145-V147 PolarHBondContact O-N 2.86Å; P145-T148 PolarHBondContact O-OG1 2.92Å |
| 146 | E | 54.5 | Low | 62.2 | Low | 173 Ų | 173 | 121.7 Ų | 121.7 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.6 | -19.2 | -176.5 | -58.5 | -165.6 | 102.4 | 0 | 0 | 113.9 | H144 | H144-E146 PolarHBondContact O-N 3.4Å; H144-E146 VanDerWaalsContact O-N 3.14Å |
| 147 | V | 53.2 | Low | 60.2 | Low | 94 Ų | 94 | 130.3 Ų | 130.3 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.2 | -24.1 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | H144 P145 E149 S150 | H144-V147 PolarHBondContact O-N 3.44Å; P145-V147 PolarHBondContact O-N 2.86Å; V147-E149 PolarHBondContact O-N 3.34Å; V147-S150 PolarHBondContact O-N 3.47Å |
| 148 | T | 48.9 | Very low | 59.1 | Low | 66 Ų | 66 | 127.6 Ų | 127.6 | 41% | 0.405 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.9 | -24.3 | -176.5 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | R141 P145 S150 | R141-T148 HydrophobicContact CB-CG2 4.45Å; R141-T148 HydrophobicContact CG-CG2 4.43Å; P145-T148 PolarHBondContact O-OG1 2.92Å; T148-S150 VanDerWaalsContact C-N 3.33Å |
| 149 | E | 47.9 | Very low | 57.8 | Low | 132 Ų | 132 | 129.9 Ų | 129.9 | 62% | 0.617 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.6 | -18.6 | 174.3 | -86.2 | -169.4 | 72.6 | 0 | 0 | 113.8 | V147 | V147-E149 PolarHBondContact O-N 3.34Å |
| 150 | S | 46.3 | Very low | 56.5 | Low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -85.1 | -17.8 | -175.6 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | V147 T148 | V147-S150 PolarHBondContact O-N 3.47Å; T148-S150 VanDerWaalsContact C-N 3.33Å |
| 151 | M | 48.1 | Very low | 55.2 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -94.8 | -20.9 | 178.2 | -78.6 | 178.6 | 66.2 | 0 | 0 | 114.1 | ||
| 152 | E | 48.1 | Very low | 53.8 | Low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -83.4 | -18.8 | 175.6 | -80.8 | -156.4 | 86.6 | 0 | 0 | 114 | G154 | E152-G154 VanDerWaalsContact C-N 3.33Å |
| 153 | K | 47.4 | Very low | 52.2 | Low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 3.5 | 175.2 | -74.5 | 178.4 | -179.2 | 163 | 0 | 114.4 | ||
| 154 | G | 45.9 | Very low | 50.3 | Low | 56 Ų | 56 | 137.3 Ų | 137.3 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 2.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E152 | E152-G154 VanDerWaalsContact C-N 3.33Š|
| 155 | F | 47.4 | Very low | 48.7 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -133.6 | 77.6 | 174.8 | -83.7 | -85.4 | 0 | 0 | 0 | 111.2 | ||||
| 156 | S | 43.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -148.5 | 93.2 | 152.2 | -78.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 157 | K | 40.3 | Very low | 47 | Very low | 288 Ų | 288 | 141.3 Ų | 141.3 | 100% | 1.252 | 74% | 0.739 | S | S | * | * | trans | 36.1 | 0 | 146.8 | -130.3 | 166.5 | 176.6 | -179.7 | 0 | 119.1 |
Retrieved 157 of 157 residues in 65.2 ms
(Link to these results)