| 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 | 87.8 | Confident | 89.5 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.034 | 34% | 0.344 | C | S | . | . | 0 | 132.5 | 0 | 169.3 | 60.5 | 66.7 | 0 | 0 | 108.4 | F71 M72 M73 P74 L77 V97 E100 G103 W105 | M1-F71 HydrophobicContact CE-CE1 4.39Å; M1-F71 HydrophobicContact CE-CE2 4.12Å; M1-F71 HydrophobicContact CE-CZ 3.77Å; M1-F71 HydrophobicContact SD-CD2 4.15Å; M1-F71 HydrophobicContact SD-CE2 3.49Å; M1-F71 WeakPolarHBondContact SD-CE2 3.36Å; M1-F71 HydrophobicContact SD-CZ 3.79Å; M1-M72 VanDerWaalsContact CA-O 3.22Å; M1-M72 WeakPolarHBondContact CA-O 3.14Å; M1-M72 VanDerWaalsContact CA-SD 3.56Å; M1-M72 WeakPolarHBondContact CE-O 3.28Å; M1-M72 VanDerWaalsContact N-CE 3.25Å; M1-M72 PolarHBondContact N-SD 3.35Å; M1-M72 VanDerWaalsContact N-SD 3.37Å; M1-M73 HydrophobicContact CE-CB 4.31Å; M1-M73 HydrophobicContact CE-CG 4.02Å; M1-P74 HydrophobicContact CB-CG 4.24Å; M1-L77 HydrophobicContact CB-CD1 3.53Å; M1-V97 HydrophobicContact CE-CB 4.42Å; M1-V97 HydrophobicContact CE-CG1 4.37Å; M1-V97 HydrophobicContact CE-CG2 3.24Å; M1-E100 VanDerWaalsContact CA-OE1 3.31Å; M1-E100 WeakPolarHBondContact CA-OE1 3.38Å; M1-E100 HydrophobicContact CB-CB 4.46Å; M1-E100 HydrophobicContact CB-CG 3.92Å; M1-E100 WeakPolarHBondContact CB-OE1 3.39Å; M1-E100 PolarHBondContact N-OE1 3.24Å; M1-E100 VanDerWaalsContact O-OE1 3.11Å; M1-G103 WeakPolarHBondContact O-CA 3.43Å; M1-W105 HydrophobicContact CE-CZ2 4.41Å; M1-W105 PolarHBondContact SD-NE1 3.12Å | |||
| 2 | A | 92.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 135.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K5 M72 G103 | A2-K5 HydrophobicContact CB-CB 3.9Å; A2-K5 HydrophobicContact CB-CD 3.96Å; A2-K5 HydrophobicContact CB-CG 4.11Å; A2-M72 HydrophobicContact CB-CB 4.42Å; A2-M72 HydrophobicContact CB-CE 3.69Å; A2-M72 PolarHBondContact N-O 3.2Å; A2-M72 PolarHBondContact O-N 3.33Å; A2-G103 CarbonylContact C-O 3.55Å; A2-G103 WeakPolarHBondContact CA-O 3.25Å |
| 3 | L | 94.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129 | 168.8 | -173.9 | 69 | 0 | 0 | 0 | 109.4 | K5 A41 F42 L68 F71 G103 W105 | L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.41Å; L3-A41 HydrophobicContact CD2-CB 4.19Å; L3-F42 HydrophobicContact CD1-CE2 4.36Å; L3-F42 HydrophobicContact CD1-CZ 4.2Å; L3-F42 HydrophobicContact CD2-CE2 4.07Å; L3-F42 HydrophobicContact CD2-CZ 4.48Å; L3-L68 HydrophobicContact CD1-CD1 4.05Å; L3-L68 HydrophobicContact CD1-CG 3.98Å; L3-F71 HydrophobicContact CD1-CD2 3.81Å; L3-F71 HydrophobicContact CD1-CE2 4.5Å; L3-G103 PolarHBondContact N-O 2.86Å; L3-W105 HydrophobicContact CD2-CB 4.45Å |
| 4 | N | 94.8 | Very high | 89.9 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 56.9 | 34.7 | 174.9 | -60.7 | -12.2 | 0 | 0 | 0 | 115.4 | A67 L69 S70 | N4-A67 PolarHBondContact ND2-O 3.13Å; N4-L69 HydrophobicContact CB-CB 4.5Å; N4-L69 WeakPolarHBondContact OD1-CA 3.37Å; N4-L69 PolarHBondContact OD1-N 2.93Å; N4-S70 VanDerWaalsContact CA-OG 3.28Å; N4-S70 WeakPolarHBondContact CA-OG 3.45Å; N4-S70 PolarHBondContact N-O 3.38Å; N4-S70 PolarHBondContact OD1-N 3.47Å; N4-S70 PolarHBondContact OD1-O 3.34Å |
| 5 | K | 93.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 57.2 Ų | 57.2 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | trans | -118.8 | -5.5 | 176.8 | -59.3 | -172.1 | -176 | 170.1 | 0 | 114.4 | A2 L3 S70 G102 | A2-K5 HydrophobicContact CB-CB 3.9Å; A2-K5 HydrophobicContact CB-CD 3.96Å; A2-K5 HydrophobicContact CB-CG 4.11Å; L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.41Å; K5-S70 PolarHBondContact N-OG 3.45Å; K5-G102 PolarHBondContact NZ-O 3.05Å; K5-G102 VanDerWaalsContact NZ-O 3.1Å | ||
| 6 | N | 93.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -118.3 | 28.5 | -173.1 | -72.9 | 99.8 | 0 | 0 | 0 | 113 | I14 I58 S70 M72 | N6-I14 PolarHBondContact ND2-O 3.18Å; N6-I14 PolarHBondContact O-N 3.09Å; N6-I58 HydrophobicContact CB-CD1 4.48Å; N6-I58 HydrophobicContact CB-CG2 3.76Å; N6-S70 PolarHBondContact N-OG 3.38Å; N6-M72 WeakPolarHBondContact OD1-CB 3.36Å |
| 7 | N | 92.9 | Very high | 88.7 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -129.1 | 146.2 | 176.1 | 60.9 | -81.7 | 0 | 0 | 0 | 111.7 | G12 I14 V60 L69 S70 | N7-G12 CarbonylContact C-O 3.57Å; N7-G12 VanDerWaalsContact CA-O 3.23Å; N7-G12 WeakPolarHBondContact CA-O 3.43Å; N7-I14 VanDerWaalsContact C-CD1 3.46Å; N7-I14 WeakPolarHBondContact O-CD1 3.38Å; N7-V60 HydrophobicContact CB-CG1 4.04Å; N7-L69 WeakPolarHBondContact OD1-CB 3.49Å; N7-S70 WeakPolarHBondContact OD1-CB 3.49Å; N7-S70 PolarHBondContact OD1-OG 2.81Å |
| 8 | S | 90.4 | Very high | 88.2 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | trans | -85.1 | 165.9 | 167.9 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | S10 G11 G12 | S8-S10 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact OG-N 3.03Å; S8-S10 PolarHBondContact OG-OG 3.33Å; S8-G11 PolarHBondContact O-N 3Å; S8-G11 PolarHBondContact OG-N 3.24Å; S8-G12 PolarHBondContact N-O 2.66Å; S8-G12 WeakPolarHBondContact OG-CA 3.05Å; S8-G12 PolarHBondContact OG-N 3.22Å; S8-G12 PolarHBondContact OG-O 3.1Å | ||
| 9 | E | 84.2 | Confident | 88.1 | Confident | 207 Ų | 207 | 65.5 Ų | 65.5 | 97% | 0.967 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.8 | 172.2 | -62.1 | -177.1 | 167.2 | 0 | 0 | 112.3 | G11 | E9-G11 PolarHBondContact O-N 2.98Š|
| 10 | S | 81.8 | Confident | 88.1 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 78% | 0.783 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.1 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | S8 | S8-S10 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact OG-N 3.03Å; S8-S10 PolarHBondContact OG-OG 3.33Å |
| 11 | G | 79.4 | Confident | 88.3 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 80.4 | 14 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S8 E9 | S8-G11 PolarHBondContact O-N 3Å; S8-G11 PolarHBondContact OG-N 3.24Å; E9-G11 PolarHBondContact O-N 2.98Å |
| 12 | G | 87.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 164.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N7 S8 | N7-G12 CarbonylContact C-O 3.57Å; N7-G12 VanDerWaalsContact CA-O 3.23Å; N7-G12 WeakPolarHBondContact CA-O 3.43Å; S8-G12 PolarHBondContact N-O 2.66Å; S8-G12 WeakPolarHBondContact OG-CA 3.05Å; S8-G12 PolarHBondContact OG-N 3.22Å; S8-G12 PolarHBondContact OG-O 3.1Å |
| 13 | V | 93.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 136.8 | 174.5 | 65 | 0 | 0 | 0 | 0 | 111 | I15 F51 I58 V60 | V13-I15 HydrophobicContact CG1-CD1 3.97Å; V13-I15 HydrophobicContact CG1-CG1 4.15Å; V13-I15 HydrophobicContact CG2-CD1 4.37Å; V13-I15 HydrophobicContact CG2-CG1 3.92Å; V13-F51 HydrophobicContact CB-CD1 4.42Å; V13-F51 HydrophobicContact CB-CD2 3.88Å; V13-F51 HydrophobicContact CB-CE1 4.27Å; V13-F51 HydrophobicContact CB-CE2 3.72Å; V13-F51 HydrophobicContact CB-CG 4.24Å; V13-F51 HydrophobicContact CB-CZ 3.92Å; V13-F51 HydrophobicContact CG1-CD1 3.82Å; V13-F51 HydrophobicContact CG1-CD2 4.2Å; V13-F51 HydrophobicContact CG1-CE1 3.66Å; V13-F51 HydrophobicContact CG1-CE2 4.06Å; V13-F51 HydrophobicContact CG1-CG 4.1Å; V13-F51 HydrophobicContact CG1-CZ 3.79Å; V13-F51 HydrophobicContact CG2-CD2 3.91Å; V13-F51 HydrophobicContact CG2-CE2 4.25Å; V13-F51 HydrophobicContact CG2-CG 4.18Å; V13-I58 HydrophobicContact CG2-CB 4.4Å; V13-I58 HydrophobicContact CG2-CD1 4.21Å; V13-I58 HydrophobicContact CG2-CG2 3.96Å; V13-V60 HydrophobicContact CB-CG2 3.95Å; V13-V60 HydrophobicContact CG2-CG2 4.02Å |
| 14 | I | 92.8 | Very high | 88.7 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 43% | 0.431 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 120.2 | 170.4 | -61.3 | 177.2 | 0 | 0 | 0 | 108.8 | N6 N7 | N6-I14 PolarHBondContact ND2-O 3.18Å; N6-I14 PolarHBondContact O-N 3.09Å; N7-I14 VanDerWaalsContact C-CD1 3.46Å; N7-I14 WeakPolarHBondContact O-CD1 3.38Å |
| 15 | I | 89.7 | Confident | 88.9 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | trans | -117 | 140.4 | -179.2 | -57.9 | 178.1 | 0 | 0 | 0 | 108.7 | V13 E19 V21 | V13-I15 HydrophobicContact CG1-CD1 3.97Å; V13-I15 HydrophobicContact CG1-CG1 4.15Å; V13-I15 HydrophobicContact CG2-CD1 4.37Å; V13-I15 HydrophobicContact CG2-CG1 3.92Å; I15-E19 HydrophobicContact CG2-CB 3.7Å; I15-E19 HydrophobicContact CG2-CG 3.88Å; I15-E19 WeakPolarHBondContact CG2-O 3.43Å; I15-V21 HydrophobicContact CD1-CB 4.4Å; I15-V21 HydrophobicContact CD1-CG2 3.04Å | ||
| 16 | T | 86.3 | Confident | 89 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | trans | -66.3 | 141.3 | 179.2 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | S18 E19 R56 | T16-S18 PolarHBondContact O-N 2.86Å; T16-E19 PolarHBondContact O-N 2.85Å; T16-R56 PolarHBondContact OG1-NH2 3.29Å | ||
| 17 | N | 72.1 | Confident | 89.1 | Confident | 173 Ų | 173 | 67.9 Ų | 67.9 | 93% | 0.925 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -14.4 | -171.7 | -68.8 | -13.7 | 0 | 0 | 0 | 116.3 | ||
| 18 | S | 81 | Confident | 89.3 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 11.2 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | T16 | T16-S18 PolarHBondContact O-N 2.86Š|
| 19 | E | 86.1 | Confident | 89.7 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | trans | -128.1 | 142 | -175.6 | -175.3 | -178.9 | -141.3 | 0 | 0 | 110.2 | I15 T16 T53 R56 | I15-E19 HydrophobicContact CG2-CB 3.7Å; I15-E19 HydrophobicContact CG2-CG 3.88Å; I15-E19 WeakPolarHBondContact CG2-O 3.43Å; T16-E19 PolarHBondContact O-N 2.85Å; E19-T53 HydrophobicContact CG-CG2 4.1Å; E19-T53 WeakPolarHBondContact OE1-CB 3.37Å; E19-T53 PolarHBondContact OE1-OG1 2.85Å; E19-R56 WeakPolarHBondContact OE1-CG 3.42Å; E19-R56 IonicContact OE1-NE 2.64Å; E19-R56 PolarHBondContact OE1-NE 2.78Å; E19-R56 VanDerWaalsContact OE1-NE 3.15Å; E19-R56 IonicContact OE2-CZ 2.8Å; E19-R56 IonicContact OE2-NE 3.12Å; E19-R56 PolarHBondContact OE2-NE 3.07Å; E19-R56 IonicContact OE2-NH2 2.69Å; E19-R56 PolarHBondContact OE2-NH2 3.36Å | ||
| 20 | S | 88.1 | Confident | 90.4 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | trans | -117.7 | 155.4 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 111 | P54 Y149 | S20-P54 WeakPolarHBondContact O-CD 3.21Å; S20-Y149 WeakPolarHBondContact OG-CE2 3.07Å | ||
| 21 | V | 92.9 | Very high | 91.1 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | trans | -76.6 | 126.3 | 167.8 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | I15 M23 F51 | I15-V21 HydrophobicContact CD1-CB 4.4Å; I15-V21 HydrophobicContact CD1-CG2 3.04Å; V21-M23 WeakPolarHBondContact CG1-O 2.92Å; V21-F51 HydrophobicContact CG1-CD1 4.22Å; V21-F51 HydrophobicContact CG2-CD1 4.27Å | ||
| 22 | L | 91.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | trans | -85.6 | -40.9 | 172.4 | -56.8 | -178.3 | 0 | 0 | 0 | 111.3 | L52 P54 V130 V140 Y149 | L22-L52 HydrophobicContact CB-CG 4.37Å; L22-L52 HydrophobicContact CD1-CG 4.38Å; L22-L52 PolarHBondContact N-O 2.76Å; L22-P54 HydrophobicContact CD1-CG 4.23Å; L22-P54 HydrophobicContact CD2-CG 4.11Å; L22-P54 HydrophobicContact CG-CG 4.3Å; L22-V130 HydrophobicContact CD1-CB 4.46Å; L22-V130 HydrophobicContact CD1-CG1 3.94Å; L22-V130 HydrophobicContact CD1-CG2 3.64Å; L22-V140 HydrophobicContact CD1-CG1 4.14Å; L22-Y149 HydrophobicContact CD2-CD2 3.16Å; L22-Y149 HydrophobicContact CD2-CE2 3.48Å; L22-Y149 VanDerWaalsContact CD2-CE2 3.48Å; L22-Y149 HydrophobicContact CD2-CG 4.05Å | ||
| 23 | M | 94.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 149.4 | -175.4 | -176.4 | 171.2 | -81.1 | 0 | 0 | 110 | V21 Y25 L52 E122 F123 Y155 | V21-M23 WeakPolarHBondContact CG1-O 2.92Å; M23-Y25 HydrophobicContact CG-CD2 4.33Å; M23-Y25 HydrophobicContact CG-CE2 3.71Å; M23-Y25 HydrophobicContact SD-CE2 3.64Å; M23-L52 HydrophobicContact CB-CB 4.24Å; M23-L52 HydrophobicContact CB-CD2 4.45Å; M23-L52 PolarHBondContact O-N 2.89Å; M23-E122 HydrophobicContact CE-CG 3.75Å; M23-E122 WeakPolarHBondContact CE-OE1 3.4Å; M23-E122 HydrophobicContact SD-CG 4.08Å; M23-F123 HydrophobicContact CG-CD2 4.34Å; M23-F123 HydrophobicContact SD-CD2 4.37Å; M23-Y155 WeakPolarHBondContact CA-OH 3.31Å |
| 24 | S | 96.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.2 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | I50 Y155 | S24-I50 CarbonylContact C-O 3.47Å; S24-I50 WeakPolarHBondContact CA-O 3.33Å; S24-I50 WeakPolarHBondContact CB-O 3.28Å; S24-Y155 PolarHBondContact N-OH 2.9Å; S24-Y155 PolarHBondContact OG-OH 3.44Å; S24-Y155 VanDerWaalsContact OG-OH 3.06Å |
| 25 | Y | 97.6 | Very high | 91.4 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.8 | 170.2 | -68.4 | -91.4 | 0 | 0 | 0 | 110.7 | M23 S49 I50 F115 E122 F123 | M23-Y25 HydrophobicContact CG-CD2 4.33Å; M23-Y25 HydrophobicContact CG-CE2 3.71Å; M23-Y25 HydrophobicContact SD-CE2 3.64Å; Y25-S49 CarbonylContact O-C 3.49Å; Y25-S49 VanDerWaalsContact O-CA 3.29Å; Y25-S49 WeakPolarHBondContact O-CA 3.42Å; Y25-I50 PolarHBondContact N-O 2.84Å; Y25-I50 PolarHBondContact O-N 2.85Å; Y25-F115 AromaticContact CD2-CE1 3.97Å; Y25-F115 HydrophobicContact CD2-CE1 3.97Å; Y25-F115 HydrophobicContact CG-CD1 4.3Å; Y25-F115 HydrophobicContact CG-CE1 4.08Å; Y25-E122 PolarHBondContact OH-OE2 3.49Å; Y25-F123 HydrophobicContact CD2-CB 4.07Å; Y25-F123 AromaticContact CD2-CD2 3.62Å; Y25-F123 HydrophobicContact CD2-CD2 3.62Å; Y25-F123 HydrophobicContact CD2-CG 4.22Å; Y25-F123 HydrophobicContact CE2-CB 3.7Å; Y25-F123 AromaticContact CE2-CD2 3.82Å; Y25-F123 HydrophobicContact CE2-CD2 3.82Å; Y25-F123 HydrophobicContact CE2-CG 4.24Å |
| 26 | E | 96.1 | Very high | 91.2 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 168.7 | 172.1 | -57.6 | -168.3 | 156.1 | 0 | 0 | 111.3 | V28 | E26-V28 PolarHBondContact O-N 2.57Å |
| 27 | N | 95.7 | Very high | 91.3 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.3 | 32.8 | 176.7 | -52.9 | -57.5 | 0 | 0 | 0 | 113.3 | G48 | N27-G48 PolarHBondContact N-O 2.86Å |
| 28 | V | 98.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.4 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | E26 K47 G48 I50 L113 V114 F115 | E26-V28 PolarHBondContact O-N 2.57Å; V28-K47 CarbonylContact O-C 3.51Å; V28-K47 WeakPolarHBondContact O-CA 3.28Å; V28-G48 PolarHBondContact N-O 3.16Å; V28-G48 PolarHBondContact O-N 2.89Å; V28-I50 HydrophobicContact CB-CG2 4.26Å; V28-I50 HydrophobicContact CG1-CG2 4.37Å; V28-I50 HydrophobicContact CG2-CG2 3.72Å; V28-L113 HydrophobicContact CG1-CB 4.24Å; V28-L113 HydrophobicContact CG1-CD2 4.3Å; V28-V114 WeakPolarHBondContact CA-O 3.5Å; V28-F115 HydrophobicContact CG1-CE1 4.48Å; V28-F115 HydrophobicContact CG1-CE2 4.32Å; V28-F115 HydrophobicContact CG1-CZ 4.3Å; V28-F115 HydrophobicContact CG2-CD1 3.63Å; V28-F115 HydrophobicContact CG2-CE1 3.65Å; V28-F115 HydrophobicContact CG2-CG 4.24Å; V28-F115 HydrophobicContact CG2-CZ 4.27Å |
| 29 | E | 97.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.1 | 176.6 | -176.5 | 173.5 | -147.6 | 0 | 0 | 110.6 | V31 S45 K46 K47 V114 | E29-V31 HydrophobicContact CG-CG2 3.99Å; E29-S45 WeakPolarHBondContact OE1-CB 3.41Å; E29-S45 PolarHBondContact OE1-OG 3.49Å; E29-K46 CarbonylContact C-O 3.46Å; E29-K46 VanDerWaalsContact CA-O 3.28Å; E29-K46 WeakPolarHBondContact CA-O 3.44Å; E29-K47 HydrophobicContact CB-CG 4.4Å; E29-K47 HydrophobicContact CG-CG 4.36Å; E29-V114 HydrophobicContact CB-CB 4.23Å; E29-V114 PolarHBondContact N-O 2.82Å; E29-V114 PolarHBondContact O-N 2.73Å |
| 30 | L | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.8 | 173.1 | 173.8 | 63 | 0 | 0 | 0 | 109.5 | F32 S45 K46 F59 L68 F71 F111 K112 L113 | L30-F32 HydrophobicContact CD1-CE1 4.36Å; L30-F32 HydrophobicContact CD1-CE2 4.34Å; L30-F32 HydrophobicContact CD1-CZ 4.06Å; L30-F32 HydrophobicContact CD2-CE2 3.77Å; L30-F32 HydrophobicContact CD2-CZ 3.72Å; L30-F32 HydrophobicContact CG-CE2 3.88Å; L30-F32 HydrophobicContact CG-CZ 4.01Å; L30-S45 WeakPolarHBondContact O-CA 2.98Å; L30-K46 HydrophobicContact CB-CB 4.34Å; L30-K46 PolarHBondContact N-O 3.04Å; L30-K46 PolarHBondContact O-N 3.4Å; L30-F59 HydrophobicContact CB-CD1 4.25Å; L30-F59 HydrophobicContact CB-CD2 3.89Å; L30-F59 HydrophobicContact CB-CE1 4.08Å; L30-F59 HydrophobicContact CB-CE2 3.7Å; L30-F59 HydrophobicContact CB-CG 4.15Å; L30-F59 HydrophobicContact CB-CZ 3.8Å; L30-F59 HydrophobicContact CD2-CB 4.13Å; L30-F59 HydrophobicContact CD2-CD1 3.58Å; L30-F59 HydrophobicContact CD2-CD2 4.33Å; L30-F59 HydrophobicContact CD2-CE1 4.03Å; L30-F59 HydrophobicContact CD2-CG 3.74Å; L30-L68 HydrophobicContact CD2-CD1 4.49Å; L30-F71 HydrophobicContact CD2-CB 4.44Å; L30-F71 HydrophobicContact CD2-CD1 4.38Å; L30-F111 HydrophobicContact CD1-CB 4.07Å; L30-K112 WeakPolarHBondContact CA-O 3.42Å; L30-L113 HydrophobicContact CB-CD2 4.28Å; L30-L113 HydrophobicContact CD1-CD2 3.76Å |
| 31 | V | 97.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 26% | 0.261 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.3 | 178.3 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | E29 F111 K112 | E29-V31 HydrophobicContact CG-CG2 3.99Å; V31-F111 CarbonylContact O-C 3.48Å; V31-F111 WeakPolarHBondContact O-CA 3.29Å; V31-K112 HydrophobicContact CB-CB 4.39Å; V31-K112 PolarHBondContact N-O 2.86Å; V31-K112 PolarHBondContact O-N 3.04Å |
| 32 | F | 96.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.7 | 169.5 | -61.2 | -79.8 | 0 | 0 | 0 | 109.9 | L30 A35 L38 F42 L68 F71 A109 T110 F111 | L30-F32 HydrophobicContact CD1-CE1 4.36Å; L30-F32 HydrophobicContact CD1-CE2 4.34Å; L30-F32 HydrophobicContact CD1-CZ 4.06Å; L30-F32 HydrophobicContact CD2-CE2 3.77Å; L30-F32 HydrophobicContact CD2-CZ 3.72Å; L30-F32 HydrophobicContact CG-CE2 3.88Å; L30-F32 HydrophobicContact CG-CZ 4.01Å; F32-A35 HydrophobicContact CB-CB 4.42Å; F32-L38 HydrophobicContact CB-CD1 3.82Å; F32-L38 HydrophobicContact CD1-CD1 4.44Å; F32-L38 HydrophobicContact CG-CD1 4.26Å; F32-F42 HydrophobicContact CB-CB 4.44Å; F32-F42 AromaticContact CD1-CD1 3.75Å; F32-F42 HydrophobicContact CD1-CD1 3.75Å; F32-F42 HydrophobicContact CD1-CE1 4.38Å; F32-F42 HydrophobicContact CD2-CB 3.77Å; F32-F42 AromaticContact CD2-CD1 3.6Å; F32-F42 HydrophobicContact CD2-CD1 3.6Å; F32-F42 HydrophobicContact CD2-CG 4.13Å; F32-F42 WeakPolarHBondContact CD2-O 3.3Å; F32-F42 AromaticContact CE1-CD1 3.55Å; F32-F42 HydrophobicContact CE1-CD1 3.55Å; F32-F42 AromaticContact CE1-CE1 3.79Å; F32-F42 HydrophobicContact CE1-CE1 3.79Å; F32-F42 HydrophobicContact CE2-CB 4.22Å; F32-F42 AromaticContact CE2-CD1 3.39Å; F32-F42 HydrophobicContact CE2-CD1 3.39Å; F32-F42 HydrophobicContact CE2-CE1 4.06Å; F32-F42 HydrophobicContact CE2-CG 4.14Å; F32-F42 HydrophobicContact CG-CB 4.14Å; F32-F42 AromaticContact CG-CD1 3.75Å; F32-F42 HydrophobicContact CG-CD1 3.75Å; F32-F42 HydrophobicContact CG-CG 4.46Å; F32-F42 AromaticContact CZ-CD1 3.35Å; F32-F42 HydrophobicContact CZ-CD1 3.35Å; F32-F42 AromaticContact CZ-CE1 3.59Å; F32-F42 HydrophobicContact CZ-CE1 3.59Å; F32-F42 HydrophobicContact CZ-CG 4.46Å; F32-L68 HydrophobicContact CE2-CD1 3.84Å; F32-L68 HydrophobicContact CZ-CD1 4.29Å; F32-F71 HydrophobicContact CE1-CD1 4.31Å; F32-F71 AromaticContact CE1-CE1 3.8Å; F32-F71 HydrophobicContact CE1-CE1 3.8Å; F32-F71 HydrophobicContact CE1-CZ 4.27Å; F32-F71 AromaticContact CZ-CD1 3.85Å; F32-F71 HydrophobicContact CZ-CD1 3.85Å; F32-F71 AromaticContact CZ-CE1 3.78Å; F32-F71 HydrophobicContact CZ-CE1 3.78Å; F32-F71 HydrophobicContact CZ-CG 4.41Å; F32-F71 HydrophobicContact CZ-CZ 4.3Å; F32-A109 HydrophobicContact CD1-CB 3.82Å; F32-A109 HydrophobicContact CE1-CB 4.24Å; F32-T110 CarbonylContact C-O 3.56Å; F32-T110 WeakPolarHBondContact CA-O 3.27Å; F32-F111 HydrophobicContact CD1-CB 3.98Å; F32-F111 HydrophobicContact CE1-CB 4Å |
| 33 | C | 92.9 | Very high | 93.3 | Very high | 36 Ų | 36 | 57 Ų | 57 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 147.7 | 171.3 | -58 | 0 | 0 | 0 | 0 | 108.7 | A35 T110 | C33-A35 PolarHBondContact O-N 2.71Å; C33-T110 HydrophobicContact CB-CG2 4.19Å; C33-T110 PolarHBondContact N-O 2.82Å |
| 34 | E | 86.9 | Confident | 93.1 | Very high | 162 Ų | 162 | 65.4 Ų | 65.4 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 36.1 | 179.9 | -61.7 | 168.2 | -152.3 | 0 | 0 | 113 | E36 C37 | E34-E36 PolarHBondContact O-N 3.34Å; E34-C37 PolarHBondContact O-N 2.8Å |
| 35 | A | 83.6 | Confident | 93 | Very high | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.6 | -18.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F32 C33 C37 L38 F42 | F32-A35 HydrophobicContact CB-CB 4.42Å; C33-A35 PolarHBondContact O-N 2.71Å; A35-C37 PolarHBondContact O-N 3.31Å; A35-L38 PolarHBondContact O-N 2.87Å; A35-L38 VanDerWaalsContact O-N 3.1Å; A35-F42 WeakPolarHBondContact CB-O 3.38Å |
| 36 | E | 85.6 | Confident | 93 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.6 | 175.1 | -57 | -53.3 | 141.4 | 0 | 0 | 112.7 | E34 | E34-E36 PolarHBondContact O-N 3.34Š|
| 37 | C | 87.9 | Confident | 93 | Very high | 116 Ų | 116 | 64.3 Ų | 64.3 | 78% | 0.784 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -90.1 | -2.6 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | E34 A35 | E34-C37 PolarHBondContact O-N 2.8Å; A35-C37 PolarHBondContact O-N 3.31Å |
| 38 | L | 90.4 | Very high | 93 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -104.7 | 160.8 | 179.8 | -64.3 | 175.9 | 0 | 0 | 0 | 110.7 | F32 A35 F42 W105 A109 | F32-L38 HydrophobicContact CB-CD1 3.82Å; F32-L38 HydrophobicContact CD1-CD1 4.44Å; F32-L38 HydrophobicContact CG-CD1 4.26Å; A35-L38 PolarHBondContact O-N 2.87Å; A35-L38 VanDerWaalsContact O-N 3.1Å; L38-F42 HydrophobicContact CB-CB 3.65Å; L38-F42 HydrophobicContact CB-CD2 4.47Å; L38-F42 HydrophobicContact CB-CG 4.07Å; L38-F42 HydrophobicContact CD1-CB 3.89Å; L38-F42 HydrophobicContact CD1-CD1 4.12Å; L38-F42 HydrophobicContact CD1-CG 4.19Å; L38-F42 HydrophobicContact CG-CB 4.42Å; L38-W105 HydrophobicContact CD2-CZ3 4.27Å; L38-A109 HydrophobicContact CD1-CB 3.67Å; L38-A109 HydrophobicContact CD2-CB 4.17Å |
| 39 | P | 91.9 | Very high | 93 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | trans | -55.7 | 156.4 | 174.2 | -24 | 33.6 | 0 | 0 | 0 | 112.6 | A41 F42 | P39-A41 PolarHBondContact O-N 3.48Å; P39-F42 HydrophobicContact CB-CD2 4.08Å; P39-F42 HydrophobicContact CB-CE2 4.42Å; P39-F42 HydrophobicContact CG-CD2 4.24Å; P39-F42 HydrophobicContact CG-CE2 4.33Å; P39-F42 WeakPolarHBondContact O-CB 3.29Å; P39-F42 PolarHBondContact O-N 3.47Å | ||
| 40 | D | 91.6 | Very high | 93 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -52.1 | -32.4 | -174.7 | -76.5 | -31 | 0 | 0 | 0 | 114.5 | F42 R43 | D40-F42 PolarHBondContact O-N 2.8Å; D40-R43 WeakPolarHBondContact O-CB 3.09Å; D40-R43 PolarHBondContact O-N 2.69Å; D40-R43 VanDerWaalsContact O-N 3.09Å; D40-R43 WeakPolarHBondContact OD1-CD 3.37Å; D40-R43 IonicContact OD1-CZ 3.02Å; D40-R43 IonicContact OD1-NE 3.22Å; D40-R43 PolarHBondContact OD1-NE 3.11Å; D40-R43 IonicContact OD1-NH1 2.66Å; D40-R43 PolarHBondContact OD1-NH1 2.85Å; D40-R43 IonicContact OD1-NH2 3.87Å |
| 41 | A | 93 | Very high | 93 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -57.6 | -29.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L3 P39 K46 A67 L68 | L3-A41 HydrophobicContact CD2-CB 4.19Å; P39-A41 PolarHBondContact O-N 3.48Å; A41-K46 VanDerWaalsContact O-CE 3.29Å; A41-K46 WeakPolarHBondContact O-CE 3.43Å; A41-A67 HydrophobicContact CB-CB 4.28Å; A41-L68 HydrophobicContact CB-CB 4.22Å; A41-L68 VanDerWaalsContact O-CB 3.27Å; A41-L68 WeakPolarHBondContact O-CB 3.47Å |
| 42 | F | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -89.5 | -6 | -177.7 | -64.1 | -101.7 | 0 | 0 | 0 | 112.8 | L3 F32 A35 L38 P39 D40 F71 W105 | L3-F42 HydrophobicContact CD1-CE2 4.36Å; L3-F42 HydrophobicContact CD1-CZ 4.2Å; L3-F42 HydrophobicContact CD2-CE2 4.07Å; L3-F42 HydrophobicContact CD2-CZ 4.48Å; F32-F42 HydrophobicContact CB-CB 4.44Å; F32-F42 AromaticContact CD1-CD1 3.75Å; F32-F42 HydrophobicContact CD1-CD1 3.75Å; F32-F42 HydrophobicContact CD1-CE1 4.38Å; F32-F42 HydrophobicContact CD2-CB 3.77Å; F32-F42 AromaticContact CD2-CD1 3.6Å; F32-F42 HydrophobicContact CD2-CD1 3.6Å; F32-F42 HydrophobicContact CD2-CG 4.13Å; F32-F42 WeakPolarHBondContact CD2-O 3.3Å; F32-F42 AromaticContact CE1-CD1 3.55Å; F32-F42 HydrophobicContact CE1-CD1 3.55Å; F32-F42 AromaticContact CE1-CE1 3.79Å; F32-F42 HydrophobicContact CE1-CE1 3.79Å; F32-F42 HydrophobicContact CE2-CB 4.22Å; F32-F42 AromaticContact CE2-CD1 3.39Å; F32-F42 HydrophobicContact CE2-CD1 3.39Å; F32-F42 HydrophobicContact CE2-CE1 4.06Å; F32-F42 HydrophobicContact CE2-CG 4.14Å; F32-F42 HydrophobicContact CG-CB 4.14Å; F32-F42 AromaticContact CG-CD1 3.75Å; F32-F42 HydrophobicContact CG-CD1 3.75Å; F32-F42 HydrophobicContact CG-CG 4.46Å; F32-F42 AromaticContact CZ-CD1 3.35Å; F32-F42 HydrophobicContact CZ-CD1 3.35Å; F32-F42 AromaticContact CZ-CE1 3.59Å; F32-F42 HydrophobicContact CZ-CE1 3.59Å; F32-F42 HydrophobicContact CZ-CG 4.46Å; A35-F42 WeakPolarHBondContact CB-O 3.38Å; L38-F42 HydrophobicContact CB-CB 3.65Å; L38-F42 HydrophobicContact CB-CD2 4.47Å; L38-F42 HydrophobicContact CB-CG 4.07Å; L38-F42 HydrophobicContact CD1-CB 3.89Å; L38-F42 HydrophobicContact CD1-CD1 4.12Å; L38-F42 HydrophobicContact CD1-CG 4.19Å; L38-F42 HydrophobicContact CG-CB 4.42Å; P39-F42 HydrophobicContact CB-CD2 4.08Å; P39-F42 HydrophobicContact CB-CE2 4.42Å; P39-F42 HydrophobicContact CG-CD2 4.24Å; P39-F42 HydrophobicContact CG-CE2 4.33Å; P39-F42 WeakPolarHBondContact O-CB 3.29Å; P39-F42 PolarHBondContact O-N 3.47Å; D40-F42 PolarHBondContact O-N 2.8Å; F42-F71 HydrophobicContact CE1-CD2 4.3Å; F42-F71 AromaticContact CE1-CE2 3.67Å; F42-F71 HydrophobicContact CE1-CE2 3.67Å; F42-F71 AromaticContact CE1-CZ 3.79Å; F42-F71 HydrophobicContact CE1-CZ 3.79Å; F42-F71 HydrophobicContact CZ-CD2 4.33Å; F42-F71 AromaticContact CZ-CE2 3.74Å; F42-F71 HydrophobicContact CZ-CE2 3.74Å; F42-F71 HydrophobicContact CZ-CZ 4.29Å; F42-W105 HydrophobicContact CE1-CD2 4.27Å; F42-W105 HydrophobicContact CE1-CE3 4.34Å; F42-W105 HydrophobicContact CE2-CB 3.97Å; F42-W105 HydrophobicContact CE2-CD2 4.2Å; F42-W105 HydrophobicContact CE2-CE3 4.32Å; F42-W105 HydrophobicContact CE2-CG 4.05Å; F42-W105 HydrophobicContact CZ-CB 4.1Å; F42-W105 AromaticContact CZ-CD2 3.58Å; F42-W105 HydrophobicContact CZ-CD2 3.58Å; F42-W105 AromaticContact CZ-CE3 3.89Å; F42-W105 HydrophobicContact CZ-CE3 3.89Å; F42-W105 AromaticContact CZ-CG 3.67Å; F42-W105 HydrophobicContact CZ-CG 3.67Å |
| 43 | R | 91.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 36% | 0.362 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -76.7 | 145.8 | -179.8 | -63.7 | -177.5 | 173.7 | 179.9 | -12.8 | 111.1 | D40 K46 | D40-R43 WeakPolarHBondContact O-CB 3.09Å; D40-R43 PolarHBondContact O-N 2.69Å; D40-R43 VanDerWaalsContact O-N 3.09Å; D40-R43 WeakPolarHBondContact OD1-CD 3.37Å; D40-R43 IonicContact OD1-CZ 3.02Å; D40-R43 IonicContact OD1-NE 3.22Å; D40-R43 PolarHBondContact OD1-NE 3.11Å; D40-R43 IonicContact OD1-NH1 2.66Å; D40-R43 PolarHBondContact OD1-NH1 2.85Å; D40-R43 IonicContact OD1-NH2 3.87Å; R43-K46 WeakPolarHBondContact O-CE 3.43Å; R43-K46 PolarHBondContact O-NZ 2.86Å |
| 44 | K | 91.9 | Very high | 92.9 | Very high | 180 Ų | 180 | 56.8 Ų | 56.8 | 78% | 0.783 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 61.4 | 163.6 | -176.4 | -51.5 | 176 | -178.6 | 175.1 | 0 | 112.1 | ||
| 45 | S | 94.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | trans | -74.9 | 149.5 | 175.6 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | E29 L30 | E29-S45 WeakPolarHBondContact OE1-CB 3.41Å; E29-S45 PolarHBondContact OE1-OG 3.49Å; L30-S45 WeakPolarHBondContact O-CA 2.98Å | ||
| 46 | K | 96 | Very high | 93.7 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.4 | 179.9 | -47.7 | -64.9 | 166.8 | -178.8 | 0 | 108.5 | E29 L30 A41 R43 F59 D66 L68 | E29-K46 CarbonylContact C-O 3.46Å; E29-K46 VanDerWaalsContact CA-O 3.28Å; E29-K46 WeakPolarHBondContact CA-O 3.44Å; L30-K46 HydrophobicContact CB-CB 4.34Å; L30-K46 PolarHBondContact N-O 3.04Å; L30-K46 PolarHBondContact O-N 3.4Å; A41-K46 VanDerWaalsContact O-CE 3.29Å; A41-K46 WeakPolarHBondContact O-CE 3.43Å; R43-K46 WeakPolarHBondContact O-CE 3.43Å; R43-K46 PolarHBondContact O-NZ 2.86Å; K46-F59 HydrophobicContact CB-CE1 3.72Å; K46-F59 HydrophobicContact CB-CZ 3.81Å; K46-F59 WeakPolarHBondContact O-CZ 3.5Å; K46-D66 VanDerWaalsContact CD-CG 3.46Å; K46-D66 WeakPolarHBondContact CD-OD1 3.25Å; K46-D66 WeakPolarHBondContact CD-OD2 3.22Å; K46-D66 WeakPolarHBondContact CE-OD1 3.5Å; K46-D66 IonicContact NZ-OD1 3.15Å; K46-D66 PolarHBondContact NZ-OD1 3.25Å; K46-D66 IonicContact NZ-OD2 2.86Å; K46-D66 PolarHBondContact NZ-OD2 3.05Å; K46-L68 HydrophobicContact CD-CB 4.39Å; K46-L68 HydrophobicContact CG-CD2 4.42Å |
| 47 | K | 96.5 | Very high | 94.3 | Very high | 140 Ų | 140 | 49.4 Ų | 49.4 | 61% | 0.609 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.5 | 172.6 | -67.7 | -173.2 | 178.7 | -176 | 0 | 109.5 | V28 E29 K62 | V28-K47 CarbonylContact O-C 3.51Å; V28-K47 WeakPolarHBondContact O-CA 3.28Å; E29-K47 HydrophobicContact CB-CG 4.4Å; E29-K47 HydrophobicContact CG-CG 4.36Å; K47-K62 WeakPolarHBondContact O-CB 3.28Å; K47-K62 PolarHBondContact O-N 3.3Å |
| 48 | G | 96.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | -161.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N27 V28 V60 | N27-G48 PolarHBondContact N-O 2.86Å; V28-G48 PolarHBondContact N-O 3.16Å; V28-G48 PolarHBondContact O-N 2.89Å; G48-V60 CarbonylContact C-O 3.53Å; G48-V60 WeakPolarHBondContact CA-O 3.43Å |
| 49 | S | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.4 | 174.8 | -59 | 0 | 0 | 0 | 0 | 109.8 | Y25 F59 V60 | Y25-S49 CarbonylContact O-C 3.49Å; Y25-S49 VanDerWaalsContact O-CA 3.29Å; Y25-S49 WeakPolarHBondContact O-CA 3.42Å; S49-F59 WeakPolarHBondContact O-CA 3.47Å; S49-V60 PolarHBondContact N-O 2.82Å; S49-V60 PolarHBondContact O-N 2.88Å |
| 50 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140 | 176.5 | -168.4 | 162.1 | 0 | 0 | 0 | 110.3 | S24 Y25 V28 V57 I58 L113 F115 F123 | S24-I50 CarbonylContact C-O 3.47Å; S24-I50 WeakPolarHBondContact CA-O 3.33Å; S24-I50 WeakPolarHBondContact CB-O 3.28Å; Y25-I50 PolarHBondContact N-O 2.84Å; Y25-I50 PolarHBondContact O-N 2.85Å; V28-I50 HydrophobicContact CB-CG2 4.26Å; V28-I50 HydrophobicContact CG1-CG2 4.37Å; V28-I50 HydrophobicContact CG2-CG2 3.72Å; I50-V57 HydrophobicContact CD1-CG1 3.38Å; I50-V57 HydrophobicContact CG1-CG1 3.56Å; I50-I58 CarbonylContact C-O 3.53Å; I50-I58 WeakPolarHBondContact CA-O 3.43Å; I50-L113 HydrophobicContact CD1-CD1 3.28Å; I50-L113 HydrophobicContact CD1-CD2 3.58Å; I50-L113 HydrophobicContact CD1-CG 3.94Å; I50-F115 HydrophobicContact CG2-CE1 4.01Å; I50-F115 HydrophobicContact CG2-CZ 4.13Å; I50-F123 HydrophobicContact CD1-CE1 3.84Å; I50-F123 HydrophobicContact CD1-CE2 4.45Å; I50-F123 HydrophobicContact CD1-CZ 3.65Å; I50-F123 HydrophobicContact CG1-CE1 4.31Å; I50-F123 HydrophobicContact CG1-CE2 4.09Å; I50-F123 HydrophobicContact CG1-CZ 3.61Å; I50-F123 HydrophobicContact CG2-CD2 4.33Å; I50-F123 HydrophobicContact CG2-CE2 3.88Å; I50-F123 HydrophobicContact CG2-CZ 4.16Å |
| 51 | F | 97.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129 | -178.1 | -55.7 | -92 | 0 | 0 | 0 | 109 | V13 V21 V57 I58 V60 | V13-F51 HydrophobicContact CB-CD1 4.42Å; V13-F51 HydrophobicContact CB-CD2 3.88Å; V13-F51 HydrophobicContact CB-CE1 4.27Å; V13-F51 HydrophobicContact CB-CE2 3.72Å; V13-F51 HydrophobicContact CB-CG 4.24Å; V13-F51 HydrophobicContact CB-CZ 3.92Å; V13-F51 HydrophobicContact CG1-CD1 3.82Å; V13-F51 HydrophobicContact CG1-CD2 4.2Å; V13-F51 HydrophobicContact CG1-CE1 3.66Å; V13-F51 HydrophobicContact CG1-CE2 4.06Å; V13-F51 HydrophobicContact CG1-CG 4.1Å; V13-F51 HydrophobicContact CG1-CZ 3.79Å; V13-F51 HydrophobicContact CG2-CD2 3.91Å; V13-F51 HydrophobicContact CG2-CE2 4.25Å; V13-F51 HydrophobicContact CG2-CG 4.18Å; V21-F51 HydrophobicContact CG1-CD1 4.22Å; V21-F51 HydrophobicContact CG2-CD1 4.27Å; F51-V57 WeakPolarHBondContact O-CA 3.33Å; F51-I58 HydrophobicContact CB-CB 4.42Å; F51-I58 PolarHBondContact N-O 3.33Å; F51-I58 PolarHBondContact O-N 2.96Å; F51-V60 HydrophobicContact CD2-CG2 4.21Å; F51-V60 HydrophobicContact CE2-CB 4.19Å; F51-V60 HydrophobicContact CE2-CG2 3.9Å |
| 52 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.6 | 171.3 | -177.9 | 63.5 | 0 | 0 | 0 | 108.9 | L22 M23 V57 F75 F123 C126 M127 V130 | L22-L52 HydrophobicContact CB-CG 4.37Å; L22-L52 HydrophobicContact CD1-CG 4.38Å; L22-L52 PolarHBondContact N-O 2.76Å; M23-L52 HydrophobicContact CB-CB 4.24Å; M23-L52 HydrophobicContact CB-CD2 4.45Å; M23-L52 PolarHBondContact O-N 2.89Å; L52-V57 HydrophobicContact CD1-CG2 4.17Å; L52-F75 HydrophobicContact CD1-CE1 4.14Å; L52-F75 HydrophobicContact CD1-CZ 3.63Å; L52-F123 HydrophobicContact CB-CD2 4.48Å; L52-F123 HydrophobicContact CB-CE2 3.67Å; L52-F123 HydrophobicContact CB-CZ 3.9Å; L52-F123 HydrophobicContact CD1-CZ 4.49Å; L52-C126 HydrophobicContact CD2-CB 4.02Å; L52-C126 VanDerWaalsContact CD2-SG 3.54Å; L52-M127 HydrophobicContact CD1-CB 4.02Å; L52-M127 HydrophobicContact CD1-CG 4.02Å; L52-M127 HydrophobicContact CD2-CB 4.45Å; L52-V130 HydrophobicContact CD2-CG2 4.39Å |
| 53 | T | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -126.5 | 172.5 | 173.2 | 74.9 | 0 | 0 | 0 | 0 | 109.6 | E19 Y55 R56 I58 | E19-T53 HydrophobicContact CG-CG2 4.1Å; E19-T53 WeakPolarHBondContact OE1-CB 3.37Å; E19-T53 PolarHBondContact OE1-OG1 2.85Å; T53-Y55 PolarHBondContact O-N 3.48Å; T53-Y55 PolarHBondContact OG1-N 2.81Å; T53-R56 PolarHBondContact N-O 2.92Å; T53-R56 WeakPolarHBondContact OG1-CG 3.35Å; T53-R56 PolarHBondContact OG1-N 2.82Å; T53-R56 PolarHBondContact OG1-O 3.31Å; T53-I58 HydrophobicContact CG2-CD1 4.39Å | ||
| 54 | P | 92.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -56.5 | -21.1 | 177.5 | -30.2 | 37.8 | 0 | 0 | 0 | 116.2 | S20 L22 F75 V130 V140 | S20-P54 WeakPolarHBondContact O-CD 3.21Å; L22-P54 HydrophobicContact CD1-CG 4.23Å; L22-P54 HydrophobicContact CD2-CG 4.11Å; L22-P54 HydrophobicContact CG-CG 4.3Å; P54-F75 WeakPolarHBondContact O-CE2 3.36Å; P54-V130 WeakPolarHBondContact O-CG1 3.24Å; P54-V140 HydrophobicContact CB-CG2 3.79Å; P54-V140 HydrophobicContact CG-CG2 4.37Å |
| 55 | Y | 92.8 | Very high | 93.9 | Very high | 139 Ų | 139 | 43.6 Ų | 43.6 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -125.7 | -14.1 | -171.3 | -51.6 | -64.1 | 0 | 0 | 0 | 114.6 | T53 F75 | T53-Y55 PolarHBondContact O-N 3.48Å; T53-Y55 PolarHBondContact OG1-N 2.81Å; Y55-F75 VanDerWaalsContact O-CD2 3.24Å; Y55-F75 WeakPolarHBondContact O-CD2 3.08Å; Y55-F75 PolarHBondContact O-N 2.89Å; Y55-F75 VanDerWaalsContact O-N 3.12Å |
| 56 | R | 95.5 | Very high | 93.5 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 162.2 | -168.3 | 51.7 | -172.6 | 179.9 | 178.7 | 2.6 | 112.7 | T16 E19 T53 I58 M72 M73 F75 | T16-R56 PolarHBondContact OG1-NH2 3.29Å; E19-R56 WeakPolarHBondContact OE1-CG 3.42Å; E19-R56 IonicContact OE1-NE 2.64Å; E19-R56 PolarHBondContact OE1-NE 2.78Å; E19-R56 VanDerWaalsContact OE1-NE 3.15Å; E19-R56 IonicContact OE2-CZ 2.8Å; E19-R56 IonicContact OE2-NE 3.12Å; E19-R56 PolarHBondContact OE2-NE 3.07Å; E19-R56 IonicContact OE2-NH2 2.69Å; E19-R56 PolarHBondContact OE2-NH2 3.36Å; T53-R56 PolarHBondContact N-O 2.92Å; T53-R56 WeakPolarHBondContact OG1-CG 3.35Å; T53-R56 PolarHBondContact OG1-N 2.82Å; T53-R56 PolarHBondContact OG1-O 3.31Å; R56-I58 HydrophobicContact CG-CG1 4.28Å; R56-M72 HydrophobicContact CB-CG 4.39Å; R56-M72 HydrophobicContact CB-SD 4.38Å; R56-M72 VanDerWaalsContact CD-CG 3.49Å; R56-M72 HydrophobicContact CG-CG 4.38Å; R56-M73 VanDerWaalsContact CA-O 3.32Å; R56-M73 WeakPolarHBondContact CA-O 3.49Å; R56-M73 WeakPolarHBondContact CB-O 3.35Å; R56-F75 VanDerWaalsContact N-CE2 3.32Å |
| 57 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.7 | 163.1 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | I50 F51 L52 M72 M73 F75 M78 F123 M127 | I50-V57 HydrophobicContact CD1-CG1 3.38Å; I50-V57 HydrophobicContact CG1-CG1 3.56Å; F51-V57 WeakPolarHBondContact O-CA 3.33Å; L52-V57 HydrophobicContact CD1-CG2 4.17Å; V57-M72 CarbonylContact O-C 3.56Å; V57-M73 HydrophobicContact CB-CB 4.5Å; V57-M73 HydrophobicContact CB-CE 4.12Å; V57-M73 HydrophobicContact CG1-CE 3.75Å; V57-M73 PolarHBondContact N-O 2.77Å; V57-M73 PolarHBondContact O-N 2.87Å; V57-F75 HydrophobicContact CG2-CE1 3.84Å; V57-M78 HydrophobicContact CG2-CE 4.16Å; V57-M78 HydrophobicContact CG2-SD 4.37Å; V57-F123 HydrophobicContact CG1-CZ 4.21Å; V57-F123 HydrophobicContact CG2-CE1 4.48Å; V57-F123 HydrophobicContact CG2-CZ 4.44Å; V57-M127 HydrophobicContact CG2-CG 3.93Å; V57-M127 HydrophobicContact CG2-SD 3.74Å |
| 58 | I | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.9 | 174.4 | -52.3 | 174.4 | 0 | 0 | 0 | 108 | N6 V13 I50 F51 T53 R56 V60 M72 | N6-I58 HydrophobicContact CB-CD1 4.48Å; N6-I58 HydrophobicContact CB-CG2 3.76Å; V13-I58 HydrophobicContact CG2-CB 4.4Å; V13-I58 HydrophobicContact CG2-CD1 4.21Å; V13-I58 HydrophobicContact CG2-CG2 3.96Å; I50-I58 CarbonylContact C-O 3.53Å; I50-I58 WeakPolarHBondContact CA-O 3.43Å; F51-I58 HydrophobicContact CB-CB 4.42Å; F51-I58 PolarHBondContact N-O 3.33Å; F51-I58 PolarHBondContact O-N 2.96Å; T53-I58 HydrophobicContact CG2-CD1 4.39Å; R56-I58 HydrophobicContact CG-CG1 4.28Å; I58-V60 HydrophobicContact CG2-CG2 4.16Å; I58-M72 HydrophobicContact CG1-CB 4.38Å; I58-M72 HydrophobicContact CG1-CG 4.04Å |
| 59 | F | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.6 | 166.2 | 178.4 | -93.1 | 0 | 0 | 0 | 109.3 | L30 K46 S49 A61 L68 S70 F71 | L30-F59 HydrophobicContact CB-CD1 4.25Å; L30-F59 HydrophobicContact CB-CD2 3.89Å; L30-F59 HydrophobicContact CB-CE1 4.08Å; L30-F59 HydrophobicContact CB-CE2 3.7Å; L30-F59 HydrophobicContact CB-CG 4.15Å; L30-F59 HydrophobicContact CB-CZ 3.8Å; L30-F59 HydrophobicContact CD2-CB 4.13Å; L30-F59 HydrophobicContact CD2-CD1 3.58Å; L30-F59 HydrophobicContact CD2-CD2 4.33Å; L30-F59 HydrophobicContact CD2-CE1 4.03Å; L30-F59 HydrophobicContact CD2-CG 3.74Å; K46-F59 HydrophobicContact CB-CE1 3.72Å; K46-F59 HydrophobicContact CB-CZ 3.81Å; K46-F59 WeakPolarHBondContact O-CZ 3.5Å; S49-F59 WeakPolarHBondContact O-CA 3.47Å; F59-A61 HydrophobicContact CE1-CB 3.98Å; F59-L68 HydrophobicContact CD1-CD2 3.87Å; F59-L68 HydrophobicContact CE1-CD2 3.99Å; F59-S70 CarbonylContact O-C 3.58Å; F59-S70 WeakPolarHBondContact O-CA 3.05Å; F59-S70 WeakPolarHBondContact O-CB 3.39Å; F59-F71 PolarHBondContact N-O 3.05Å; F59-F71 PolarHBondContact O-N 3.22Å |
| 60 | V | 97.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120.9 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | N7 V13 G48 S49 F51 I58 L69 | N7-V60 HydrophobicContact CB-CG1 4.04Å; V13-V60 HydrophobicContact CB-CG2 3.95Å; V13-V60 HydrophobicContact CG2-CG2 4.02Å; G48-V60 CarbonylContact C-O 3.53Å; G48-V60 WeakPolarHBondContact CA-O 3.43Å; S49-V60 PolarHBondContact N-O 2.82Å; S49-V60 PolarHBondContact O-N 2.88Å; F51-V60 HydrophobicContact CD2-CG2 4.21Å; F51-V60 HydrophobicContact CE2-CB 4.19Å; F51-V60 HydrophobicContact CE2-CG2 3.9Å; I58-V60 HydrophobicContact CG2-CG2 4.16Å; V60-L69 WeakPolarHBondContact CA-O 3.45Å |
| 61 | A | 96.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 40 Ų | 40 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | F59 L68 L69 | F59-A61 HydrophobicContact CE1-CB 3.98Å; A61-L68 WeakPolarHBondContact CB-O 3.35Å; A61-L69 PolarHBondContact N-O 2.85Å |
| 62 | K | 93 | Very high | 93.1 | Very high | 159 Ų | 159 | 39.4 Ų | 39.4 | 69% | 0.691 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -82.1 | 123.8 | 173.6 | -174.7 | 174.4 | -176.8 | 170.9 | 0 | 109.2 | K47 | K47-K62 WeakPolarHBondContact O-CB 3.28Å; K47-K62 PolarHBondContact O-N 3.3Å |
| 63 | G | 80.9 | Confident | 93.1 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 86.9 | 129.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H65 | G63-H65 PolarHBondContact O-N 2.73Å; G63-H65 VanDerWaalsContact O-N 3.13Å |
| 64 | G | 78.1 | Confident | 93.2 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 64% | 0.639 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 17.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 65 | H | 81.4 | Confident | 93.3 | Very high | 191 Ų | 191 | 40.1 Ų | 40.1 | 88% | 0.884 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -6.8 | -174.6 | -62.1 | -67.3 | 0 | 0 | 0 | 113.6 | G63 | G63-H65 PolarHBondContact O-N 2.73Å; G63-H65 VanDerWaalsContact O-N 3.13Å |
| 66 | D | 86.8 | Confident | 93.5 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -79.6 | 146.1 | 175.9 | -159.5 | -61.3 | 0 | 0 | 0 | 110.7 | K46 L68 L69 | K46-D66 VanDerWaalsContact CD-CG 3.46Å; K46-D66 WeakPolarHBondContact CD-OD1 3.25Å; K46-D66 WeakPolarHBondContact CD-OD2 3.22Å; K46-D66 WeakPolarHBondContact CE-OD1 3.5Å; K46-D66 IonicContact NZ-OD1 3.15Å; K46-D66 PolarHBondContact NZ-OD1 3.25Å; K46-D66 IonicContact NZ-OD2 2.86Å; K46-D66 PolarHBondContact NZ-OD2 3.05Å; D66-L68 PolarHBondContact O-N 2.83Å; D66-L68 PolarHBondContact OD1-N 3.31Å; D66-L69 VanDerWaalsContact O-CD2 3.25Å; D66-L69 WeakPolarHBondContact O-CD2 3.31Å |
| 67 | A | 91.6 | Very high | 93.5 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -61.4 | -27.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N4 A41 | N4-A67 PolarHBondContact ND2-O 3.13Å; A41-A67 HydrophobicContact CB-CB 4.28Å |
| 68 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -103.3 | 108.6 | 169.1 | -171.7 | 157.6 | 0 | 0 | 0 | 109.5 | L3 L30 F32 A41 K46 F59 A61 D66 F71 | L3-L68 HydrophobicContact CD1-CD1 4.05Å; L3-L68 HydrophobicContact CD1-CG 3.98Å; L30-L68 HydrophobicContact CD2-CD1 4.49Å; F32-L68 HydrophobicContact CE2-CD1 3.84Å; F32-L68 HydrophobicContact CZ-CD1 4.29Å; A41-L68 HydrophobicContact CB-CB 4.22Å; A41-L68 VanDerWaalsContact O-CB 3.27Å; A41-L68 WeakPolarHBondContact O-CB 3.47Å; K46-L68 HydrophobicContact CD-CB 4.39Å; K46-L68 HydrophobicContact CG-CD2 4.42Å; F59-L68 HydrophobicContact CD1-CD2 3.87Å; F59-L68 HydrophobicContact CE1-CD2 3.99Å; A61-L68 WeakPolarHBondContact CB-O 3.35Å; D66-L68 PolarHBondContact O-N 2.83Å; D66-L68 PolarHBondContact OD1-N 3.31Å; L68-F71 HydrophobicContact CD1-CB 4.31Å; L68-F71 HydrophobicContact CD2-CB 4.22Å | ||
| 69 | L | 95.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -95 | -39.8 | 176.4 | -58.8 | 177.8 | 0 | 0 | 0 | 111.8 | N4 N7 V60 A61 D66 | N4-L69 HydrophobicContact CB-CB 4.5Å; N4-L69 WeakPolarHBondContact OD1-CA 3.37Å; N4-L69 PolarHBondContact OD1-N 2.93Å; N7-L69 WeakPolarHBondContact OD1-CB 3.49Å; V60-L69 WeakPolarHBondContact CA-O 3.45Å; A61-L69 PolarHBondContact N-O 2.85Å; D66-L69 VanDerWaalsContact O-CD2 3.25Å; D66-L69 WeakPolarHBondContact O-CD2 3.31Å |
| 70 | S | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151.6 | 171.9 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | N4 K5 N6 N7 F59 | N4-S70 VanDerWaalsContact CA-OG 3.28Å; N4-S70 WeakPolarHBondContact CA-OG 3.45Å; N4-S70 PolarHBondContact N-O 3.38Å; N4-S70 PolarHBondContact OD1-N 3.47Å; N4-S70 PolarHBondContact OD1-O 3.34Å; K5-S70 PolarHBondContact N-OG 3.45Å; N6-S70 PolarHBondContact N-OG 3.38Å; N7-S70 WeakPolarHBondContact OD1-CB 3.49Å; N7-S70 PolarHBondContact OD1-OG 2.81Å; F59-S70 CarbonylContact O-C 3.58Å; F59-S70 WeakPolarHBondContact O-CA 3.05Å; F59-S70 WeakPolarHBondContact O-CB 3.39Å |
| 71 | F | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 112.3 | 176.2 | -170.2 | -120.8 | 0 | 0 | 0 | 110.3 | M1 L3 L30 F32 F42 F59 L68 M73 V97 W105 | M1-F71 HydrophobicContact CE-CE1 4.39Å; M1-F71 HydrophobicContact CE-CE2 4.12Å; M1-F71 HydrophobicContact CE-CZ 3.77Å; M1-F71 HydrophobicContact SD-CD2 4.15Å; M1-F71 HydrophobicContact SD-CE2 3.49Å; M1-F71 WeakPolarHBondContact SD-CE2 3.36Å; M1-F71 HydrophobicContact SD-CZ 3.79Å; L3-F71 HydrophobicContact CD1-CD2 3.81Å; L3-F71 HydrophobicContact CD1-CE2 4.5Å; L30-F71 HydrophobicContact CD2-CB 4.44Å; L30-F71 HydrophobicContact CD2-CD1 4.38Å; F32-F71 HydrophobicContact CE1-CD1 4.31Å; F32-F71 AromaticContact CE1-CE1 3.8Å; F32-F71 HydrophobicContact CE1-CE1 3.8Å; F32-F71 HydrophobicContact CE1-CZ 4.27Å; F32-F71 AromaticContact CZ-CD1 3.85Å; F32-F71 HydrophobicContact CZ-CD1 3.85Å; F32-F71 AromaticContact CZ-CE1 3.78Å; F32-F71 HydrophobicContact CZ-CE1 3.78Å; F32-F71 HydrophobicContact CZ-CG 4.41Å; F32-F71 HydrophobicContact CZ-CZ 4.3Å; F42-F71 HydrophobicContact CE1-CD2 4.3Å; F42-F71 AromaticContact CE1-CE2 3.67Å; F42-F71 HydrophobicContact CE1-CE2 3.67Å; F42-F71 AromaticContact CE1-CZ 3.79Å; F42-F71 HydrophobicContact CE1-CZ 3.79Å; F42-F71 HydrophobicContact CZ-CD2 4.33Å; F42-F71 AromaticContact CZ-CE2 3.74Å; F42-F71 HydrophobicContact CZ-CE2 3.74Å; F42-F71 HydrophobicContact CZ-CZ 4.29Å; F59-F71 PolarHBondContact N-O 3.05Å; F59-F71 PolarHBondContact O-N 3.22Å; L68-F71 HydrophobicContact CD1-CB 4.31Å; L68-F71 HydrophobicContact CD2-CB 4.22Å; F71-M73 HydrophobicContact CD1-CE 4.24Å; F71-M73 HydrophobicContact CD1-CG 3.56Å; F71-M73 HydrophobicContact CD1-SD 3.74Å; F71-M73 HydrophobicContact CE1-CG 3.35Å; F71-M73 HydrophobicContact CE1-SD 3.53Å; F71-M73 VanDerWaalsContact CE1-SD 3.53Å; F71-M73 HydrophobicContact CZ-CG 4.17Å; F71-V97 HydrophobicContact CE1-CG1 3.91Å; F71-V97 HydrophobicContact CZ-CG1 3.88Å; F71-W105 AromaticContact CE2-CE2 4Å; F71-W105 HydrophobicContact CE2-CZ2 4.32Å; F71-W105 AromaticContact CE2-NE1 3.6Å; F71-W105 AromaticContact CZ-CZ2 4Å; F71-W105 HydrophobicContact CZ-CZ2 4Å |
| 72 | M | 97.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.7 | -176.7 | 177.2 | -90.8 | -73.4 | 0 | 0 | 110.8 | M1 A2 N6 R56 V57 I58 P74 | M1-M72 VanDerWaalsContact CA-O 3.22Å; M1-M72 WeakPolarHBondContact CA-O 3.14Å; M1-M72 VanDerWaalsContact CA-SD 3.56Å; M1-M72 WeakPolarHBondContact CE-O 3.28Å; M1-M72 VanDerWaalsContact N-CE 3.25Å; M1-M72 PolarHBondContact N-SD 3.35Å; M1-M72 VanDerWaalsContact N-SD 3.37Å; A2-M72 HydrophobicContact CB-CB 4.42Å; A2-M72 HydrophobicContact CB-CE 3.69Å; A2-M72 PolarHBondContact N-O 3.2Å; A2-M72 PolarHBondContact O-N 3.33Å; N6-M72 WeakPolarHBondContact OD1-CB 3.36Å; R56-M72 HydrophobicContact CB-CG 4.39Å; R56-M72 HydrophobicContact CB-SD 4.38Å; R56-M72 VanDerWaalsContact CD-CG 3.49Å; R56-M72 HydrophobicContact CG-CG 4.38Å; V57-M72 CarbonylContact O-C 3.56Å; I58-M72 HydrophobicContact CG1-CB 4.38Å; I58-M72 HydrophobicContact CG1-CG 4.04Å; M72-P74 WeakPolarHBondContact O-CD 3.47Å; M72-P74 HydrophobicContact SD-CG 3.63Å |
| 73 | M | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 102.2 | -177.1 | -59.7 | 175.4 | -77.9 | 0 | 0 | 110.5 | M1 R56 V57 F71 M78 V97 F111 | M1-M73 HydrophobicContact CE-CB 4.31Å; M1-M73 HydrophobicContact CE-CG 4.02Å; R56-M73 VanDerWaalsContact CA-O 3.32Å; R56-M73 WeakPolarHBondContact CA-O 3.49Å; R56-M73 WeakPolarHBondContact CB-O 3.35Å; V57-M73 HydrophobicContact CB-CB 4.5Å; V57-M73 HydrophobicContact CB-CE 4.12Å; V57-M73 HydrophobicContact CG1-CE 3.75Å; V57-M73 PolarHBondContact N-O 2.77Å; V57-M73 PolarHBondContact O-N 2.87Å; F71-M73 HydrophobicContact CD1-CE 4.24Å; F71-M73 HydrophobicContact CD1-CG 3.56Å; F71-M73 HydrophobicContact CD1-SD 3.74Å; F71-M73 HydrophobicContact CE1-CG 3.35Å; F71-M73 HydrophobicContact CE1-SD 3.53Å; F71-M73 VanDerWaalsContact CE1-SD 3.53Å; F71-M73 HydrophobicContact CZ-CG 4.17Å; M73-M78 HydrophobicContact CB-CE 4.36Å; M73-M78 HydrophobicContact CB-CG 4.01Å; M73-M78 HydrophobicContact CB-SD 3.67Å; M73-V97 HydrophobicContact CB-CG2 4.24Å; M73-V97 HydrophobicContact CG-CG2 4.14Å; M73-V97 HydrophobicContact SD-CG1 4.39Å; M73-F111 HydrophobicContact SD-CD1 4.01Å; M73-F111 HydrophobicContact SD-CD2 4.5Å; M73-F111 HydrophobicContact SD-CE1 4.02Å; M73-F111 HydrophobicContact SD-CG 4.26Å; M73-F111 HydrophobicContact SD-CZ 4.29Å |
| 74 | P | 96.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 144.6 | 171.8 | -13.5 | 27.3 | 0 | 0 | 0 | 111.7 | M1 M72 Y76 L77 M78 | M1-P74 HydrophobicContact CB-CG 4.24Å; M72-P74 WeakPolarHBondContact O-CD 3.47Å; M72-P74 HydrophobicContact SD-CG 3.63Å; P74-Y76 VanDerWaalsContact C-N 3.26Å; P74-Y76 HydrophobicContact CB-CD1 3.59Å; P74-Y76 HydrophobicContact CB-CE1 3.29Å; P74-Y76 HydrophobicContact CB-CG 4.47Å; P74-Y76 HydrophobicContact CG-CE1 3.89Å; P74-Y76 PolarHBondContact O-N 3.34Å; P74-L77 HydrophobicContact CG-CD1 4Å; P74-L77 PolarHBondContact O-N 3.42Å; P74-M78 WeakPolarHBondContact O-CG 3.23Å; P74-M78 PolarHBondContact O-N 3.05Å |
| 75 | F | 96.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -59.1 | -35.2 | -178 | -61 | -47.7 | 0 | 0 | 0 | 113.7 | L52 P54 Y55 R56 V57 L77 M78 M127 V130 A131 A134 | L52-F75 HydrophobicContact CD1-CE1 4.14Å; L52-F75 HydrophobicContact CD1-CZ 3.63Å; P54-F75 WeakPolarHBondContact O-CE2 3.36Å; Y55-F75 VanDerWaalsContact O-CD2 3.24Å; Y55-F75 WeakPolarHBondContact O-CD2 3.08Å; Y55-F75 PolarHBondContact O-N 2.89Å; Y55-F75 VanDerWaalsContact O-N 3.12Å; R56-F75 VanDerWaalsContact N-CE2 3.32Å; V57-F75 HydrophobicContact CG2-CE1 3.84Å; F75-L77 PolarHBondContact O-N 3.09Å; F75-M78 HydrophobicContact CD1-SD 3.99Å; F75-M78 PolarHBondContact O-N 2.97Å; F75-M78 VanDerWaalsContact O-N 3.09Å; F75-M127 HydrophobicContact CE1-CG 3.78Å; F75-V130 HydrophobicContact CE2-CB 4.37Å; F75-V130 HydrophobicContact CE2-CG1 3.58Å; F75-V130 HydrophobicContact CZ-CB 4.44Å; F75-V130 HydrophobicContact CZ-CG1 3.98Å; F75-A131 HydrophobicContact CB-CB 3.91Å; F75-A131 HydrophobicContact CD1-CB 3.74Å; F75-A131 HydrophobicContact CD2-CB 4.07Å; F75-A131 HydrophobicContact CE1-CB 4.27Å; F75-A131 HydrophobicContact CG-CB 3.63Å; F75-A134 HydrophobicContact CD2-CB 4.06Å |
| 76 | Y | 95.7 | Very high | 96.2 | Very high | 154 Ų | 154 | 46.8 Ų | 46.8 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -68.5 | -16.7 | -179.4 | 71.9 | -94.3 | 0 | 0 | 0 | 113.8 | P74 E100 | P74-Y76 VanDerWaalsContact C-N 3.26Å; P74-Y76 HydrophobicContact CB-CD1 3.59Å; P74-Y76 HydrophobicContact CB-CE1 3.29Å; P74-Y76 HydrophobicContact CB-CG 4.47Å; P74-Y76 HydrophobicContact CG-CE1 3.89Å; P74-Y76 PolarHBondContact O-N 3.34Å; Y76-E100 PolarHBondContact OH-OE2 2.68Å |
| 77 | L | 97.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -98.9 | -8.8 | 174.2 | -64.6 | 172 | 0 | 0 | 0 | 112.7 | M1 P74 F75 V97 S98 E100 | M1-L77 HydrophobicContact CB-CD1 3.53Å; P74-L77 HydrophobicContact CG-CD1 4Å; P74-L77 PolarHBondContact O-N 3.42Å; F75-L77 PolarHBondContact O-N 3.09Å; L77-V97 HydrophobicContact CB-CG2 4.21Å; L77-V97 WeakPolarHBondContact O-CA 3.29Å; L77-S98 PolarHBondContact O-N 3.1Å; L77-S98 VanDerWaalsContact O-N 3.11Å; L77-E100 HydrophobicContact CD1-CB 3.94Å; L77-E100 HydrophobicContact CD1-CG 4.42Å |
| 78 | M | 97.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 137 | 179.2 | -65.5 | 169.6 | 78.9 | 0 | 0 | 110.2 | V57 M73 P74 F75 T96 V97 F111 M127 | V57-M78 HydrophobicContact CG2-CE 4.16Å; V57-M78 HydrophobicContact CG2-SD 4.37Å; M73-M78 HydrophobicContact CB-CE 4.36Å; M73-M78 HydrophobicContact CB-CG 4.01Å; M73-M78 HydrophobicContact CB-SD 3.67Å; P74-M78 WeakPolarHBondContact O-CG 3.23Å; P74-M78 PolarHBondContact O-N 3.05Å; F75-M78 HydrophobicContact CD1-SD 3.99Å; F75-M78 PolarHBondContact O-N 2.97Å; F75-M78 VanDerWaalsContact O-N 3.09Å; M78-T96 CarbonylContact C-O 3.54Å; M78-T96 VanDerWaalsContact CA-O 3.28Å; M78-T96 WeakPolarHBondContact CA-O 3.41Å; M78-V97 HydrophobicContact CG-CB 4.46Å; M78-V97 HydrophobicContact CG-CG2 4.08Å; M78-F111 HydrophobicContact CE-CE1 4.11Å; M78-F111 HydrophobicContact CE-CE2 4.39Å; M78-F111 HydrophobicContact CE-CZ 3.52Å; M78-M127 HydrophobicContact CE-SD 4.05Å |
| 79 | K | 96.6 | Very high | 96.5 | Very high | 135 Ų | 135 | 59.3 Ų | 59.3 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.1 | 177.5 | -62.9 | -178.9 | -179.6 | 177.2 | 0 | 111.7 | C81 T96 | K79-C81 VanDerWaalsContact C-N 3.26Å; K79-C81 PolarHBondContact O-N 3.16Å; K79-T96 WeakPolarHBondContact CB-OG1 3.49Å; K79-T96 PolarHBondContact N-O 3.31Å; K79-T96 PolarHBondContact O-N 3.18Å; K79-T96 PolarHBondContact O-OG1 2.96Å; K79-T96 VanDerWaalsContact O-OG1 3.04Å |
| 80 | G | 96.7 | Very high | 96.5 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 35 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E82 | G80-E82 PolarHBondContact O-N 3.23Å |
| 81 | C | 97.6 | Very high | 96.6 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.8 | 178.9 | -69.8 | 0 | 0 | 0 | 0 | 110.7 | K79 K94 M127 L128 | K79-C81 VanDerWaalsContact C-N 3.26Å; K79-C81 PolarHBondContact O-N 3.16Å; C81-K94 CarbonylContact C-O 3.53Å; C81-K94 VanDerWaalsContact CA-O 3.24Å; C81-K94 WeakPolarHBondContact CA-O 3.49Å; C81-M127 HydrophobicContact CB-CE 3.71Å; C81-L128 HydrophobicContact CB-CD2 3.95Å |
| 82 | E | 97.5 | Very high | 96.7 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.6 | -179.5 | 56.4 | 174.7 | 169.5 | 0 | 0 | 111.5 | G80 K84 I93 K94 | G80-E82 PolarHBondContact O-N 3.23Å; E82-K84 HydrophobicContact CG-CD 4.45Å; E82-K84 WeakPolarHBondContact OE1-CE 3.44Å; E82-K84 IonicContact OE1-NZ 2.73Å; E82-K84 PolarHBondContact OE1-NZ 3.43Å; E82-K84 WeakPolarHBondContact OE2-CE 3.17Å; E82-K84 IonicContact OE2-NZ 2.71Å; E82-K84 PolarHBondContact OE2-NZ 3.47Å; E82-I93 WeakPolarHBondContact O-CA 3.24Å; E82-K94 HydrophobicContact CG-CB 4.39Å; E82-K94 PolarHBondContact N-O 2.88Å; E82-K94 PolarHBondContact O-N 3.44Å |
| 83 | V | 98.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.4 | 171.2 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | Q85 I93 I121 | V83-Q85 HydrophobicContact CG1-CG 4.27Å; V83-I93 HydrophobicContact CG2-CG1 4.31Å; V83-I121 HydrophobicContact CG1-CG1 4.33Å |
| 84 | K | 98 | Very high | 96.8 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.6 | 174.5 | -66.8 | -64.5 | -158.8 | -160 | 0 | 109.9 | E82 P86 N91 Y92 K94 | E82-K84 HydrophobicContact CG-CD 4.45Å; E82-K84 WeakPolarHBondContact OE1-CE 3.44Å; E82-K84 IonicContact OE1-NZ 2.73Å; E82-K84 PolarHBondContact OE1-NZ 3.43Å; E82-K84 WeakPolarHBondContact OE2-CE 3.17Å; E82-K84 IonicContact OE2-NZ 2.71Å; E82-K84 PolarHBondContact OE2-NZ 3.47Å; K84-P86 WeakPolarHBondContact O-CD 3.4Å; K84-N91 WeakPolarHBondContact O-CA 3.36Å; K84-Y92 HydrophobicContact CB-CD1 3.98Å; K84-Y92 HydrophobicContact CB-CD2 3.94Å; K84-Y92 HydrophobicContact CB-CE1 3.59Å; K84-Y92 HydrophobicContact CB-CE2 3.56Å; K84-Y92 HydrophobicContact CB-CG 4.14Å; K84-Y92 HydrophobicContact CG-CD2 4.17Å; K84-Y92 HydrophobicContact CG-CE1 4.35Å; K84-Y92 HydrophobicContact CG-CE2 3.51Å; K84-Y92 PolarHBondContact N-O 3.37Å; K84-Y92 PolarHBondContact O-N 3.08Å; K84-Y92 VanDerWaalsContact O-N 3.07Å; K84-K94 HydrophobicContact CG-CB 4.47Å |
| 85 | Q | 97.7 | Very high | 96.9 | Very high | 126 Ų | 126 | 65.5 Ų | 65.5 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | trans | -119.1 | 78.2 | 179.5 | -61.1 | 178 | -89.9 | 0 | 0 | 109.7 | V83 N91 | V83-Q85 HydrophobicContact CG1-CG 4.27Å; Q85-N91 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 86 | P | 96.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | trans | -66.1 | 144.7 | 176.3 | 30.8 | -34.8 | 0 | 0 | 0 | 110.3 | K84 L88 Y92 | K84-P86 WeakPolarHBondContact O-CD 3.4Å; P86-L88 WeakPolarHBondContact CB-O 3.4Å; P86-L88 PolarHBondContact O-N 3.3Å; P86-Y92 HydrophobicContact CG-CE1 4.23Å | ||
| 87 | V | 94.9 | Very high | 97.1 | Very high | 149 Ų | 149 | 59.2 Ų | 59.2 | 90% | 0.903 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -63 | -32 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 88 | L | 92.3 | Very high | 97 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 83% | 0.827 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -121.8 | 122.4 | 176.8 | -61.9 | 177.3 | 0 | 0 | 0 | 109.5 | P86 | P86-L88 WeakPolarHBondContact CB-O 3.4Å; P86-L88 PolarHBondContact O-N 3.3Å |
| 89 | G | 93.1 | Very high | 97 | Very high | 68 Ų | 68 | 60 Ų | 60 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 109.6 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 90 | A | 96.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -78.8 | 145.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V114 A116 | A90-V114 HydrophobicContact CB-CG1 3.64Å; A90-A116 HydrophobicContact CB-CB 4.38Å | ||
| 91 | N | 98.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | trans | -65.5 | 144.4 | 170.3 | -65.7 | -21.2 | 0 | 0 | 0 | 109.8 | K84 Q85 F115 A120 | K84-N91 WeakPolarHBondContact O-CA 3.36Å; Q85-N91 WeakPolarHBondContact CA-OD1 3.48Å; N91-F115 PolarHBondContact O-N 3.37Å; N91-A120 HydrophobicContact CB-CB 3.53Å | ||
| 92 | Y | 98.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 61.4 Ų | 61.4 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 156 | -178.6 | 64.4 | -87.5 | 0 | 0 | 0 | 112.1 | K84 P86 K94 K112 L113 | K84-Y92 HydrophobicContact CB-CD1 3.98Å; K84-Y92 HydrophobicContact CB-CD2 3.94Å; K84-Y92 HydrophobicContact CB-CE1 3.59Å; K84-Y92 HydrophobicContact CB-CE2 3.56Å; K84-Y92 HydrophobicContact CB-CG 4.14Å; K84-Y92 HydrophobicContact CG-CD2 4.17Å; K84-Y92 HydrophobicContact CG-CE1 4.35Å; K84-Y92 HydrophobicContact CG-CE2 3.51Å; K84-Y92 PolarHBondContact N-O 3.37Å; K84-Y92 PolarHBondContact O-N 3.08Å; K84-Y92 VanDerWaalsContact O-N 3.07Å; P86-Y92 HydrophobicContact CG-CE1 4.23Å; Y92-K94 HydrophobicContact CD2-CB 4.17Å; Y92-K94 HydrophobicContact CE2-CB 3.97Å; Y92-K112 HydrophobicContact CD2-CB 4.19Å; Y92-K112 HydrophobicContact CD2-CD 4.13Å; Y92-K112 HydrophobicContact CD2-CG 4.03Å; Y92-K112 HydrophobicContact CE2-CD 3.99Å; Y92-K112 HydrophobicContact CE2-CG 4.16Å; Y92-L113 CarbonylContact C-O 3.59Å; Y92-L113 WeakPolarHBondContact CA-O 3.42Å; Y92-L113 WeakPolarHBondContact CB-O 3.32Å |
| 93 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.5 | 170.9 | -60 | 168.2 | 0 | 0 | 0 | 107.3 | E82 V83 K112 L113 F115 F123 G124 M127 | E82-I93 WeakPolarHBondContact O-CA 3.24Å; V83-I93 HydrophobicContact CG2-CG1 4.31Å; I93-K112 CarbonylContact O-C 3.6Å; I93-K112 VanDerWaalsContact O-CA 3.28Å; I93-K112 WeakPolarHBondContact O-CA 3.22Å; I93-L113 HydrophobicContact CB-CB 4.29Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 PolarHBondContact N-O 2.69Å; I93-L113 PolarHBondContact O-N 3.13Å; I93-F115 HydrophobicContact CD1-CE2 3.77Å; I93-F115 HydrophobicContact CD1-CZ 4.04Å; I93-F115 HydrophobicContact CG1-CE2 4.09Å; I93-F123 HydrophobicContact CD1-CB 4.43Å; I93-F123 HydrophobicContact CD1-CD1 3.41Å; I93-F123 VanDerWaalsContact CD1-CD1 3.41Å; I93-F123 HydrophobicContact CD1-CE1 4.13Å; I93-F123 HydrophobicContact CD1-CG 4.35Å; I93-G124 VanDerWaalsContact CD1-CA 3.49Å; I93-M127 HydrophobicContact CG2-CE 3.78Å |
| 94 | K | 98.3 | Very high | 96 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.3 | 175.8 | -171.4 | -176 | 177.5 | -169.7 | 0 | 109.3 | C81 E82 K84 Y92 T110 F111 K112 | C81-K94 CarbonylContact C-O 3.53Å; C81-K94 VanDerWaalsContact CA-O 3.24Å; C81-K94 WeakPolarHBondContact CA-O 3.49Å; E82-K94 HydrophobicContact CG-CB 4.39Å; E82-K94 PolarHBondContact N-O 2.88Å; E82-K94 PolarHBondContact O-N 3.44Å; K84-K94 HydrophobicContact CG-CB 4.47Å; Y92-K94 HydrophobicContact CD2-CB 4.17Å; Y92-K94 HydrophobicContact CE2-CB 3.97Å; K94-T110 HydrophobicContact CG-CG2 4.37Å; K94-F111 WeakPolarHBondContact CA-O 3.29Å; K94-K112 HydrophobicContact CG-CG 4.27Å |
| 95 | G | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T110 F111 | G95-T110 CarbonylContact O-C 3.49Å; G95-T110 WeakPolarHBondContact O-CA 3.49Å; G95-F111 PolarHBondContact N-O 2.92Å; G95-F111 VanDerWaalsContact N-O 3.16Å; G95-F111 WeakPolarHBondContact O-CD1 3.48Å; G95-F111 PolarHBondContact O-N 2.87Å |
| 96 | T | 98.2 | Very high | 95.7 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150.3 | 169.4 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | M78 K79 A109 | M78-T96 CarbonylContact C-O 3.54Å; M78-T96 VanDerWaalsContact CA-O 3.28Å; M78-T96 WeakPolarHBondContact CA-O 3.41Å; K79-T96 WeakPolarHBondContact CB-OG1 3.49Å; K79-T96 PolarHBondContact N-O 3.31Å; K79-T96 PolarHBondContact O-N 3.18Å; K79-T96 PolarHBondContact O-OG1 2.96Å; K79-T96 VanDerWaalsContact O-OG1 3.04Å; T96-A109 CarbonylContact C-O 3.59Å; T96-A109 VanDerWaalsContact CA-O 3.3Å; T96-A109 WeakPolarHBondContact CA-O 3.25Å |
| 97 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.7 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | M1 F71 M73 L77 M78 W105 C108 A109 F111 | M1-V97 HydrophobicContact CE-CB 4.42Å; M1-V97 HydrophobicContact CE-CG1 4.37Å; M1-V97 HydrophobicContact CE-CG2 3.24Å; F71-V97 HydrophobicContact CE1-CG1 3.91Å; F71-V97 HydrophobicContact CZ-CG1 3.88Å; M73-V97 HydrophobicContact CB-CG2 4.24Å; M73-V97 HydrophobicContact CG-CG2 4.14Å; M73-V97 HydrophobicContact SD-CG1 4.39Å; L77-V97 HydrophobicContact CB-CG2 4.21Å; L77-V97 WeakPolarHBondContact O-CA 3.29Å; M78-V97 HydrophobicContact CG-CB 4.46Å; M78-V97 HydrophobicContact CG-CG2 4.08Å; V97-W105 HydrophobicContact CG1-CZ2 4.31Å; V97-C108 WeakPolarHBondContact O-CA 3.42Å; V97-C108 PolarHBondContact O-SG 2.89Å; V97-A109 HydrophobicContact CG1-CB 4.45Å; V97-A109 PolarHBondContact N-O 2.85Å; V97-A109 PolarHBondContact O-N 2.87Å; V97-F111 HydrophobicContact CB-CD1 4.18Å; V97-F111 HydrophobicContact CB-CE1 4.16Å; V97-F111 HydrophobicContact CG1-CD1 4.04Å |
| 98 | S | 97 | Very high | 95.5 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.3 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111 | L77 | L77-S98 PolarHBondContact O-N 3.1Å; L77-S98 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 95.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | trans | -66.3 | 158.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W105 G107 | A99-W105 HydrophobicContact CB-CD2 3.79Å; A99-W105 HydrophobicContact CB-CE3 4.11Å; A99-W105 HydrophobicContact CB-CG 4.34Å; A99-W105 HydrophobicContact CB-CH2 4.09Å; A99-W105 HydrophobicContact CB-CZ2 3.77Å; A99-W105 HydrophobicContact CB-CZ3 4.24Å; A99-W105 WeakPolarHBondContact CB-O 3.14Å; A99-G107 WeakPolarHBondContact CB-O 3.31Å; A99-G107 PolarHBondContact N-O 2.76Å | ||
| 100 | E | 93.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | trans | -127.3 | 157.1 | 169.8 | 85.6 | -179 | 139.8 | 0 | 0 | 110.2 | M1 Y76 L77 G102 G103 | M1-E100 VanDerWaalsContact CA-OE1 3.31Å; M1-E100 WeakPolarHBondContact CA-OE1 3.38Å; M1-E100 HydrophobicContact CB-CB 4.46Å; M1-E100 HydrophobicContact CB-CG 3.92Å; M1-E100 WeakPolarHBondContact CB-OE1 3.39Å; M1-E100 PolarHBondContact N-OE1 3.24Å; M1-E100 VanDerWaalsContact O-OE1 3.11Å; Y76-E100 PolarHBondContact OH-OE2 2.68Å; L77-E100 HydrophobicContact CD1-CB 3.94Å; L77-E100 HydrophobicContact CD1-CG 4.42Å; E100-G102 PolarHBondContact O-N 3.37Å; E100-G103 PolarHBondContact O-N 2.99Å | ||
| 101 | P | 94.6 | Very high | 96 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 86% | 0.864 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 128.7 | 175.5 | -26.3 | 35.5 | 0 | 0 | 0 | 112.4 | G103 | P101-G103 PolarHBondContact O-N 2.51Š|
| 102 | G | 92.4 | Very high | 96 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 68% | 0.68 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K5 E100 G104 | K5-G102 PolarHBondContact NZ-O 3.05Å; K5-G102 VanDerWaalsContact NZ-O 3.1Å; E100-G102 PolarHBondContact O-N 3.37Å; G102-G104 PolarHBondContact O-N 2.87Å |
| 103 | G | 92.7 | Very high | 96 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -73 | -6.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1 A2 L3 E100 P101 | M1-G103 WeakPolarHBondContact O-CA 3.43Å; A2-G103 CarbonylContact C-O 3.55Å; A2-G103 WeakPolarHBondContact CA-O 3.25Å; L3-G103 PolarHBondContact N-O 2.86Å; E100-G103 PolarHBondContact O-N 2.99Å; P101-G103 PolarHBondContact O-N 2.51Å |
| 104 | G | 93.5 | Very high | 96 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 87.2 | 7.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G102 | G102-G104 PolarHBondContact O-N 2.87Š|
| 105 | W | 94.2 | Very high | 96 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -159.7 | 171.5 | 173.2 | 71.9 | -70.8 | 0 | 0 | 0 | 109.8 | M1 L3 L38 F42 F71 V97 A99 A109 | M1-W105 HydrophobicContact CE-CZ2 4.41Å; M1-W105 PolarHBondContact SD-NE1 3.12Å; L3-W105 HydrophobicContact CD2-CB 4.45Å; L38-W105 HydrophobicContact CD2-CZ3 4.27Å; F42-W105 HydrophobicContact CE1-CD2 4.27Å; F42-W105 HydrophobicContact CE1-CE3 4.34Å; F42-W105 HydrophobicContact CE2-CB 3.97Å; F42-W105 HydrophobicContact CE2-CD2 4.2Å; F42-W105 HydrophobicContact CE2-CE3 4.32Å; F42-W105 HydrophobicContact CE2-CG 4.05Å; F42-W105 HydrophobicContact CZ-CB 4.1Å; F42-W105 AromaticContact CZ-CD2 3.58Å; F42-W105 HydrophobicContact CZ-CD2 3.58Å; F42-W105 AromaticContact CZ-CE3 3.89Å; F42-W105 HydrophobicContact CZ-CE3 3.89Å; F42-W105 AromaticContact CZ-CG 3.67Å; F42-W105 HydrophobicContact CZ-CG 3.67Å; F71-W105 AromaticContact CE2-CE2 4Å; F71-W105 HydrophobicContact CE2-CZ2 4.32Å; F71-W105 AromaticContact CE2-NE1 3.6Å; F71-W105 AromaticContact CZ-CZ2 4Å; F71-W105 HydrophobicContact CZ-CZ2 4Å; V97-W105 HydrophobicContact CG1-CZ2 4.31Å; A99-W105 HydrophobicContact CB-CD2 3.79Å; A99-W105 HydrophobicContact CB-CE3 4.11Å; A99-W105 HydrophobicContact CB-CG 4.34Å; A99-W105 HydrophobicContact CB-CH2 4.09Å; A99-W105 HydrophobicContact CB-CZ2 3.77Å; A99-W105 HydrophobicContact CB-CZ3 4.24Å; A99-W105 WeakPolarHBondContact CB-O 3.14Å; W105-A109 HydrophobicContact CH2-CB 3.93Å; W105-A109 HydrophobicContact CZ3-CB 4.17Å |
| 106 | E | 93.7 | Very high | 95.9 | Very high | 172 Ų | 172 | 45.2 Ų | 45.2 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | trans | -130.9 | 152.8 | 179.3 | -65.5 | -174.6 | 173 | 0 | 0 | 111.7 | ||||
| 107 | G | 93.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 104.2 | -152.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A99 | A99-G107 WeakPolarHBondContact CB-O 3.31Å; A99-G107 PolarHBondContact N-O 2.76Å |
| 108 | C | 95.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 49 Ų | 49 | 48% | 0.48 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.7 | 179.2 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V97 | V97-C108 WeakPolarHBondContact O-CA 3.42Å; V97-C108 PolarHBondContact O-SG 2.89Å |
| 109 | A | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F32 L38 T96 V97 W105 | F32-A109 HydrophobicContact CD1-CB 3.82Å; F32-A109 HydrophobicContact CE1-CB 4.24Å; L38-A109 HydrophobicContact CD1-CB 3.67Å; L38-A109 HydrophobicContact CD2-CB 4.17Å; T96-A109 CarbonylContact C-O 3.59Å; T96-A109 VanDerWaalsContact CA-O 3.3Å; T96-A109 WeakPolarHBondContact CA-O 3.25Å; V97-A109 HydrophobicContact CG1-CB 4.45Å; V97-A109 PolarHBondContact N-O 2.85Å; V97-A109 PolarHBondContact O-N 2.87Å; W105-A109 HydrophobicContact CH2-CB 3.93Å; W105-A109 HydrophobicContact CZ3-CB 4.17Å |
| 110 | T | 98 | Very high | 95.6 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.5 | 165.9 | -61.5 | 0 | 0 | 0 | 0 | 108.2 | F32 C33 K94 G95 | F32-T110 CarbonylContact C-O 3.56Å; F32-T110 WeakPolarHBondContact CA-O 3.27Å; C33-T110 HydrophobicContact CB-CG2 4.19Å; C33-T110 PolarHBondContact N-O 2.82Å; K94-T110 HydrophobicContact CG-CG2 4.37Å; G95-T110 CarbonylContact O-C 3.49Å; G95-T110 WeakPolarHBondContact O-CA 3.49Å |
| 111 | F | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 156.9 | -179 | 69 | -94 | 0 | 0 | 0 | 111.8 | L30 V31 F32 M73 M78 K94 G95 V97 L113 | L30-F111 HydrophobicContact CD1-CB 4.07Å; V31-F111 CarbonylContact O-C 3.48Å; V31-F111 WeakPolarHBondContact O-CA 3.29Å; F32-F111 HydrophobicContact CD1-CB 3.98Å; F32-F111 HydrophobicContact CE1-CB 4Å; M73-F111 HydrophobicContact SD-CD1 4.01Å; M73-F111 HydrophobicContact SD-CD2 4.5Å; M73-F111 HydrophobicContact SD-CE1 4.02Å; M73-F111 HydrophobicContact SD-CG 4.26Å; M73-F111 HydrophobicContact SD-CZ 4.29Å; M78-F111 HydrophobicContact CE-CE1 4.11Å; M78-F111 HydrophobicContact CE-CE2 4.39Å; M78-F111 HydrophobicContact CE-CZ 3.52Å; K94-F111 WeakPolarHBondContact CA-O 3.29Å; G95-F111 PolarHBondContact N-O 2.92Å; G95-F111 VanDerWaalsContact N-O 3.16Å; G95-F111 WeakPolarHBondContact O-CD1 3.48Å; G95-F111 PolarHBondContact O-N 2.87Å; V97-F111 HydrophobicContact CB-CD1 4.18Å; V97-F111 HydrophobicContact CB-CE1 4.16Å; V97-F111 HydrophobicContact CG1-CD1 4.04Å; F111-L113 HydrophobicContact CD2-CD1 4.25Å; F111-L113 HydrophobicContact CD2-CG 4.01Å; F111-L113 HydrophobicContact CE2-CD1 3.9Å; F111-L113 HydrophobicContact CE2-CG 4.16Å |
| 112 | K | 98.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.8 | 165.9 | -62.9 | 178.9 | -176.2 | 174.2 | 0 | 109 | L30 V31 Y92 I93 K94 V114 | L30-K112 WeakPolarHBondContact CA-O 3.42Å; V31-K112 HydrophobicContact CB-CB 4.39Å; V31-K112 PolarHBondContact N-O 2.86Å; V31-K112 PolarHBondContact O-N 3.04Å; Y92-K112 HydrophobicContact CD2-CB 4.19Å; Y92-K112 HydrophobicContact CD2-CD 4.13Å; Y92-K112 HydrophobicContact CD2-CG 4.03Å; Y92-K112 HydrophobicContact CE2-CD 3.99Å; Y92-K112 HydrophobicContact CE2-CG 4.16Å; I93-K112 CarbonylContact O-C 3.6Å; I93-K112 VanDerWaalsContact O-CA 3.28Å; I93-K112 WeakPolarHBondContact O-CA 3.22Å; K94-K112 HydrophobicContact CG-CG 4.27Å; K112-V114 HydrophobicContact CB-CG2 4.35Å |
| 113 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 104.9 | 170.6 | -65 | 163.9 | 0 | 0 | 0 | 107.6 | V28 L30 I50 Y92 I93 F111 F115 | V28-L113 HydrophobicContact CG1-CB 4.24Å; V28-L113 HydrophobicContact CG1-CD2 4.3Å; L30-L113 HydrophobicContact CB-CD2 4.28Å; L30-L113 HydrophobicContact CD1-CD2 3.76Å; I50-L113 HydrophobicContact CD1-CD1 3.28Å; I50-L113 HydrophobicContact CD1-CD2 3.58Å; I50-L113 HydrophobicContact CD1-CG 3.94Å; Y92-L113 CarbonylContact C-O 3.59Å; Y92-L113 WeakPolarHBondContact CA-O 3.42Å; Y92-L113 WeakPolarHBondContact CB-O 3.32Å; I93-L113 HydrophobicContact CB-CB 4.29Å; I93-L113 HydrophobicContact CB-CD1 4.47Å; I93-L113 PolarHBondContact N-O 2.69Å; I93-L113 PolarHBondContact O-N 3.13Å; F111-L113 HydrophobicContact CD2-CD1 4.25Å; F111-L113 HydrophobicContact CD2-CG 4.01Å; F111-L113 HydrophobicContact CE2-CD1 3.9Å; F111-L113 HydrophobicContact CE2-CG 4.16Å; L113-F115 HydrophobicContact CB-CE2 3.77Å; L113-F115 HydrophobicContact CB-CZ 4.46Å; L113-F115 VanDerWaalsContact O-CD2 3.23Å; L113-F115 WeakPolarHBondContact O-CD2 3.12Å; L113-F115 WeakPolarHBondContact O-CE2 3.41Å |
| 114 | V | 98.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.5 | -173 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V28 E29 A90 K112 | V28-V114 WeakPolarHBondContact CA-O 3.5Å; E29-V114 HydrophobicContact CB-CB 4.23Å; E29-V114 PolarHBondContact N-O 2.82Å; E29-V114 PolarHBondContact O-N 2.73Å; A90-V114 HydrophobicContact CB-CG1 3.64Å; K112-V114 HydrophobicContact CB-CG2 4.35Å |
| 115 | F | 98.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 79.8 | -175.7 | -64.9 | -108.8 | 0 | 0 | 0 | 110 | Y25 V28 I50 N91 I93 L113 A117 G118 A120 F123 | Y25-F115 AromaticContact CD2-CE1 3.97Å; Y25-F115 HydrophobicContact CD2-CE1 3.97Å; Y25-F115 HydrophobicContact CG-CD1 4.3Å; Y25-F115 HydrophobicContact CG-CE1 4.08Å; V28-F115 HydrophobicContact CG1-CE1 4.48Å; V28-F115 HydrophobicContact CG1-CE2 4.32Å; V28-F115 HydrophobicContact CG1-CZ 4.3Å; V28-F115 HydrophobicContact CG2-CD1 3.63Å; V28-F115 HydrophobicContact CG2-CE1 3.65Å; V28-F115 HydrophobicContact CG2-CG 4.24Å; V28-F115 HydrophobicContact CG2-CZ 4.27Å; I50-F115 HydrophobicContact CG2-CE1 4.01Å; I50-F115 HydrophobicContact CG2-CZ 4.13Å; N91-F115 PolarHBondContact O-N 3.37Å; I93-F115 HydrophobicContact CD1-CE2 3.77Å; I93-F115 HydrophobicContact CD1-CZ 4.04Å; I93-F115 HydrophobicContact CG1-CE2 4.09Å; L113-F115 HydrophobicContact CB-CE2 3.77Å; L113-F115 HydrophobicContact CB-CZ 4.46Å; L113-F115 VanDerWaalsContact O-CD2 3.23Å; L113-F115 WeakPolarHBondContact O-CD2 3.12Å; L113-F115 WeakPolarHBondContact O-CE2 3.41Å; F115-A117 PolarHBondContact O-N 3.38Å; F115-G118 WeakPolarHBondContact CB-O 3.23Å; F115-G118 PolarHBondContact O-N 3.03Å; F115-A120 HydrophobicContact CB-CB 3.83Å; F115-A120 HydrophobicContact CD2-CB 3.57Å; F115-A120 HydrophobicContact CE2-CB 4.28Å; F115-A120 HydrophobicContact CG-CB 3.76Å; F115-F123 HydrophobicContact CE1-CB 4.04Å; F115-F123 HydrophobicContact CE1-CD2 4.49Å; F115-F123 HydrophobicContact CE1-CG 4.1Å; F115-F123 HydrophobicContact CZ-CB 4.04Å; F115-F123 AromaticContact CZ-CD1 3.85Å; F115-F123 HydrophobicContact CZ-CD1 3.85Å; F115-F123 HydrophobicContact CZ-CE1 4.46Å; F115-F123 AromaticContact CZ-CG 3.86Å; F115-F123 HydrophobicContact CZ-CG 3.86Å |
| 116 | A | 95.7 | Very high | 96.5 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 69% | 0.694 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A90 G118 | A90-A116 HydrophobicContact CB-CB 4.38Å; A116-G118 VanDerWaalsContact C-N 3.35Å |
| 117 | A | 95.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 36.5 Ų | 36.5 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F115 | F115-A117 PolarHBondContact O-N 3.38Š|
| 118 | G | 94.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 88.5 | 177.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F115 A116 | F115-G118 WeakPolarHBondContact CB-O 3.23Å; F115-G118 PolarHBondContact O-N 3.03Å; A116-G118 VanDerWaalsContact C-N 3.35Å |
| 119 | G | 96.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | trans | 97.8 | -13.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I121 E122 F123 | G119-I121 VanDerWaalsContact C-N 3.26Å; G119-I121 PolarHBondContact O-N 3.01Å; G119-I121 VanDerWaalsContact O-N 3.16Å; G119-E122 PolarHBondContact O-N 3.44Å; G119-F123 VanDerWaalsContact O-CB 3.31Å; G119-F123 WeakPolarHBondContact O-CB 3.09Å; G119-F123 PolarHBondContact O-N 3.36Å | ||
| 120 | A | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.3 | -37.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N91 F115 G124 | N91-A120 HydrophobicContact CB-CB 3.53Å; F115-A120 HydrophobicContact CB-CB 3.83Å; F115-A120 HydrophobicContact CD2-CB 3.57Å; F115-A120 HydrophobicContact CE2-CB 4.28Å; F115-A120 HydrophobicContact CG-CB 3.76Å; A120-G124 WeakPolarHBondContact O-CA 3.05Å; A120-G124 PolarHBondContact O-N 3.02Å |
| 121 | I | 97 | Very high | 96.2 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.1 | -52.4 | -177.5 | -59.4 | 170 | 0 | 0 | 0 | 109.7 | V83 G119 G124 Q125 | V83-I121 HydrophobicContact CG1-CG1 4.33Å; G119-I121 VanDerWaalsContact C-N 3.26Å; G119-I121 PolarHBondContact O-N 3.01Å; G119-I121 VanDerWaalsContact O-N 3.16Å; I121-G124 PolarHBondContact O-N 2.89Å; I121-Q125 HydrophobicContact CG2-CG 4.37Å; I121-Q125 VanDerWaalsContact O-CB 3.29Å; I121-Q125 WeakPolarHBondContact O-CB 3.44Å; I121-Q125 WeakPolarHBondContact O-CG 3.33Å; I121-Q125 PolarHBondContact O-N 2.8Å |
| 122 | E | 96.7 | Very high | 95.9 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 179.6 | -176.3 | -177.8 | 179.2 | 0 | 0 | 111 | M23 Y25 G119 G124 Q125 C126 | M23-E122 HydrophobicContact CE-CG 3.75Å; M23-E122 WeakPolarHBondContact CE-OE1 3.4Å; M23-E122 HydrophobicContact SD-CG 4.08Å; Y25-E122 PolarHBondContact OH-OE2 3.49Å; G119-E122 PolarHBondContact O-N 3.44Å; E122-G124 PolarHBondContact O-N 3.45Å; E122-Q125 PolarHBondContact O-N 3.45Å; E122-C126 WeakPolarHBondContact O-CB 3.4Å; E122-C126 PolarHBondContact O-N 3.47Å |
| 123 | F | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 176.6 | -170.8 | -84.6 | 0 | 0 | 0 | 111.5 | M23 Y25 I50 L52 V57 I93 F115 G119 C126 M127 | M23-F123 HydrophobicContact CG-CD2 4.34Å; M23-F123 HydrophobicContact SD-CD2 4.37Å; Y25-F123 HydrophobicContact CD2-CB 4.07Å; Y25-F123 AromaticContact CD2-CD2 3.62Å; Y25-F123 HydrophobicContact CD2-CD2 3.62Å; Y25-F123 HydrophobicContact CD2-CG 4.22Å; Y25-F123 HydrophobicContact CE2-CB 3.7Å; Y25-F123 AromaticContact CE2-CD2 3.82Å; Y25-F123 HydrophobicContact CE2-CD2 3.82Å; Y25-F123 HydrophobicContact CE2-CG 4.24Å; I50-F123 HydrophobicContact CD1-CE1 3.84Å; I50-F123 HydrophobicContact CD1-CE2 4.45Å; I50-F123 HydrophobicContact CD1-CZ 3.65Å; I50-F123 HydrophobicContact CG1-CE1 4.31Å; I50-F123 HydrophobicContact CG1-CE2 4.09Å; I50-F123 HydrophobicContact CG1-CZ 3.61Å; I50-F123 HydrophobicContact CG2-CD2 4.33Å; I50-F123 HydrophobicContact CG2-CE2 3.88Å; I50-F123 HydrophobicContact CG2-CZ 4.16Å; L52-F123 HydrophobicContact CB-CD2 4.48Å; L52-F123 HydrophobicContact CB-CE2 3.67Å; L52-F123 HydrophobicContact CB-CZ 3.9Å; L52-F123 HydrophobicContact CD1-CZ 4.49Å; V57-F123 HydrophobicContact CG1-CZ 4.21Å; V57-F123 HydrophobicContact CG2-CE1 4.48Å; V57-F123 HydrophobicContact CG2-CZ 4.44Å; I93-F123 HydrophobicContact CD1-CB 4.43Å; I93-F123 HydrophobicContact CD1-CD1 3.41Å; I93-F123 VanDerWaalsContact CD1-CD1 3.41Å; I93-F123 HydrophobicContact CD1-CE1 4.13Å; I93-F123 HydrophobicContact CD1-CG 4.35Å; F115-F123 HydrophobicContact CE1-CB 4.04Å; F115-F123 HydrophobicContact CE1-CD2 4.49Å; F115-F123 HydrophobicContact CE1-CG 4.1Å; F115-F123 HydrophobicContact CZ-CB 4.04Å; F115-F123 AromaticContact CZ-CD1 3.85Å; F115-F123 HydrophobicContact CZ-CD1 3.85Å; F115-F123 HydrophobicContact CZ-CE1 4.46Å; F115-F123 AromaticContact CZ-CG 3.86Å; F115-F123 HydrophobicContact CZ-CG 3.86Å; G119-F123 VanDerWaalsContact O-CB 3.31Å; G119-F123 WeakPolarHBondContact O-CB 3.09Å; G119-F123 PolarHBondContact O-N 3.36Å; F123-C126 PolarHBondContact O-N 3.39Å; F123-M127 HydrophobicContact CD1-CB 4.39Å; F123-M127 HydrophobicContact CE1-CB 4.29Å; F123-M127 HydrophobicContact CE1-CG 4.49Å; F123-M127 HydrophobicContact CE1-SD 4.13Å; F123-M127 WeakPolarHBondContact O-CB 3.47Å; F123-M127 PolarHBondContact O-N 3.18Å |
| 124 | G | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I93 A120 I121 E122 L128 | I93-G124 VanDerWaalsContact CD1-CA 3.49Å; A120-G124 WeakPolarHBondContact O-CA 3.05Å; A120-G124 PolarHBondContact O-N 3.02Å; I121-G124 PolarHBondContact O-N 2.89Å; E122-G124 PolarHBondContact O-N 3.45Å; G124-L128 WeakPolarHBondContact O-CB 3.46Å; G124-L128 VanDerWaalsContact O-CG 3.25Å; G124-L128 WeakPolarHBondContact O-CG 3.46Å; G124-L128 PolarHBondContact O-N 3.46Å |
| 125 | Q | 96.1 | Very high | 94.3 | Very high | 109 Ų | 109 | 42.5 Ų | 42.5 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.4 | -73.7 | 175.3 | -7.2 | 0 | 0 | 111.2 | I121 E122 L128 Q129 | I121-Q125 HydrophobicContact CG2-CG 4.37Å; I121-Q125 VanDerWaalsContact O-CB 3.29Å; I121-Q125 WeakPolarHBondContact O-CB 3.44Å; I121-Q125 WeakPolarHBondContact O-CG 3.33Å; I121-Q125 PolarHBondContact O-N 2.8Å; E122-Q125 PolarHBondContact O-N 3.45Å; Q125-L128 PolarHBondContact O-N 3.25Å; Q125-Q129 VanDerWaalsContact O-CG 3.29Å; Q125-Q129 WeakPolarHBondContact O-CG 3.48Å; Q125-Q129 PolarHBondContact O-N 3.45Å; Q125-Q129 VanDerWaalsContact O-N 3.07Å |
| 126 | C | 95.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | L52 E122 F123 L128 Q129 V130 C147 | L52-C126 HydrophobicContact CD2-CB 4.02Å; L52-C126 VanDerWaalsContact CD2-SG 3.54Å; E122-C126 WeakPolarHBondContact O-CB 3.4Å; E122-C126 PolarHBondContact O-N 3.47Å; F123-C126 PolarHBondContact O-N 3.39Å; C126-L128 VanDerWaalsContact C-N 3.35Å; C126-L128 PolarHBondContact O-N 3.07Å; C126-Q129 PolarHBondContact O-N 3.05Å; C126-V130 WeakPolarHBondContact O-CB 3.24Å; C126-V130 VanDerWaalsContact O-CG2 3.24Å; C126-V130 WeakPolarHBondContact O-CG2 3.45Å; C126-V130 PolarHBondContact O-N 3.38Å; C126-C147 HydrophobicContact CB-CB 4.14Å; C126-C147 WeakPolarHBondContact CB-SG 3.37Å; C126-C147 WeakPolarHBondContact SG-CB 3.16Å; C126-C147 CovalentContact SG-SG 2.03Å; C126-C147 PolarHBondContact SG-SG 3.33Å |
| 127 | M | 96.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 175.9 | -176.7 | -167 | 72.2 | 0 | 0 | 112 | L52 V57 F75 M78 C81 I93 F123 V130 A131 | L52-M127 HydrophobicContact CD1-CB 4.02Å; L52-M127 HydrophobicContact CD1-CG 4.02Å; L52-M127 HydrophobicContact CD2-CB 4.45Å; V57-M127 HydrophobicContact CG2-CG 3.93Å; V57-M127 HydrophobicContact CG2-SD 3.74Å; F75-M127 HydrophobicContact CE1-CG 3.78Å; M78-M127 HydrophobicContact CE-SD 4.05Å; C81-M127 HydrophobicContact CB-CE 3.71Å; I93-M127 HydrophobicContact CG2-CE 3.78Å; F123-M127 HydrophobicContact CD1-CB 4.39Å; F123-M127 HydrophobicContact CE1-CB 4.29Å; F123-M127 HydrophobicContact CE1-CG 4.49Å; F123-M127 HydrophobicContact CE1-SD 4.13Å; F123-M127 WeakPolarHBondContact O-CB 3.47Å; F123-M127 PolarHBondContact O-N 3.18Å; M127-V130 PolarHBondContact O-N 3.39Å; M127-A131 VanDerWaalsContact O-CB 3.25Å; M127-A131 WeakPolarHBondContact O-CB 3.11Å; M127-A131 PolarHBondContact O-N 3.38Å |
| 128 | L | 95.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 178.9 | -70.9 | 171.9 | 0 | 0 | 0 | 112.3 | C81 G124 Q125 C126 A132 | C81-L128 HydrophobicContact CB-CD2 3.95Å; G124-L128 WeakPolarHBondContact O-CB 3.46Å; G124-L128 VanDerWaalsContact O-CG 3.25Å; G124-L128 WeakPolarHBondContact O-CG 3.46Å; G124-L128 PolarHBondContact O-N 3.46Å; Q125-L128 PolarHBondContact O-N 3.25Å; C126-L128 VanDerWaalsContact C-N 3.35Å; C126-L128 PolarHBondContact O-N 3.07Å; L128-A132 WeakPolarHBondContact O-CB 3.2Å; L128-A132 PolarHBondContact O-N 3.3Å |
| 129 | Q | 92.7 | Very high | 90.5 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 176.2 | -71.4 | 173 | 9.2 | 0 | 0 | 112.1 | Q125 C126 A132 Q133 | Q125-Q129 VanDerWaalsContact O-CG 3.29Å; Q125-Q129 WeakPolarHBondContact O-CG 3.48Å; Q125-Q129 PolarHBondContact O-N 3.45Å; Q125-Q129 VanDerWaalsContact O-N 3.07Å; C126-Q129 PolarHBondContact O-N 3.05Å; Q129-A132 PolarHBondContact O-N 3.16Å; Q129-Q133 WeakPolarHBondContact O-CG 3.43Å; Q129-Q133 PolarHBondContact O-N 2.93Å; Q129-Q133 VanDerWaalsContact O-N 3.09Å; Q129-Q133 PolarHBondContact O-NE2 2.86Å |
| 130 | V | 93 | Very high | 89 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L22 L52 P54 F75 C126 M127 A132 Q133 A134 V140 | L22-V130 HydrophobicContact CD1-CB 4.46Å; L22-V130 HydrophobicContact CD1-CG1 3.94Å; L22-V130 HydrophobicContact CD1-CG2 3.64Å; L52-V130 HydrophobicContact CD2-CG2 4.39Å; P54-V130 WeakPolarHBondContact O-CG1 3.24Å; F75-V130 HydrophobicContact CE2-CB 4.37Å; F75-V130 HydrophobicContact CE2-CG1 3.58Å; F75-V130 HydrophobicContact CZ-CB 4.44Å; F75-V130 HydrophobicContact CZ-CG1 3.98Å; C126-V130 WeakPolarHBondContact O-CB 3.24Å; C126-V130 VanDerWaalsContact O-CG2 3.24Å; C126-V130 WeakPolarHBondContact O-CG2 3.45Å; C126-V130 PolarHBondContact O-N 3.38Å; M127-V130 PolarHBondContact O-N 3.39Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.49Å; V130-Q133 PolarHBondContact O-N 3.28Å; V130-Q133 VanDerWaalsContact O-N 3.14Å; V130-A134 WeakPolarHBondContact O-CB 3.18Å; V130-A134 PolarHBondContact O-N 3.35Å; V130-V140 HydrophobicContact CG1-CG2 3.98Å; V130-V140 HydrophobicContact CG2-CG1 4.06Å |
| 131 | A | 92.8 | Very high | 87.1 | Confident | 25 Ų | 25 | 59 Ų | 59 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F75 M127 Q133 A134 S135 | F75-A131 HydrophobicContact CB-CB 3.91Å; F75-A131 HydrophobicContact CD1-CB 3.74Å; F75-A131 HydrophobicContact CD2-CB 4.07Å; F75-A131 HydrophobicContact CE1-CB 4.27Å; F75-A131 HydrophobicContact CG-CB 3.63Å; M127-A131 VanDerWaalsContact O-CB 3.25Å; M127-A131 WeakPolarHBondContact O-CB 3.11Å; M127-A131 PolarHBondContact O-N 3.38Å; A131-Q133 PolarHBondContact O-N 2.92Å; A131-A134 PolarHBondContact O-N 3.42Å; A131-S135 PolarHBondContact O-N 2.88Å |
| 132 | A | 91.2 | Very high | 84.9 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L128 Q129 V130 S135 | L128-A132 WeakPolarHBondContact O-CB 3.2Å; L128-A132 PolarHBondContact O-N 3.3Å; Q129-A132 PolarHBondContact O-N 3.16Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.49Å; A132-S135 PolarHBondContact O-OG 2.8Å |
| 133 | Q | 87.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.201 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 176.1 | -72 | 176.7 | 73 | 0 | 0 | 112.2 | Q129 V130 A131 S135 R136 G137 Q138 P139 | Q129-Q133 WeakPolarHBondContact O-CG 3.43Å; Q129-Q133 PolarHBondContact O-N 2.93Å; Q129-Q133 VanDerWaalsContact O-N 3.09Å; Q129-Q133 PolarHBondContact O-NE2 2.86Å; V130-Q133 PolarHBondContact O-N 3.28Å; V130-Q133 VanDerWaalsContact O-N 3.14Å; A131-Q133 PolarHBondContact O-N 2.92Å; Q133-S135 PolarHBondContact O-N 3.38Å; Q133-R136 PolarHBondContact O-N 3.43Å; Q133-G137 PolarHBondContact O-N 3.49Å; Q133-Q138 PolarHBondContact O-N 3.2Å; Q133-P139 PolarHBondContact OE1-O 2.9Å |
| 134 | A | 87.2 | Confident | 80.2 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F75 V130 A131 R136 G137 | F75-A134 HydrophobicContact CD2-CB 4.06Å; V130-A134 WeakPolarHBondContact O-CB 3.18Å; V130-A134 PolarHBondContact O-N 3.35Å; A131-A134 PolarHBondContact O-N 3.42Å; A134-R136 PolarHBondContact O-N 3.44Å; A134-G137 PolarHBondContact O-N 3.06Å |
| 135 | S | 86.9 | Confident | 77.7 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 67% | 0.671 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.3 | -21.9 | 176.3 | 77.4 | 0 | 0 | 0 | 0 | 114.3 | A131 A132 Q133 | A131-S135 PolarHBondContact O-N 2.88Å; A132-S135 PolarHBondContact O-OG 2.8Å; Q133-S135 PolarHBondContact O-N 3.38Å |
| 136 | R | 86.4 | Confident | 75.6 | Confident | 190 Ų | 190 | 65.9 Ų | 65.9 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.7 | 179.7 | -64.8 | 175.9 | -178.9 | 168.9 | 0.3 | 113.2 | Q133 A134 Q138 | Q133-R136 PolarHBondContact O-N 3.43Å; A134-R136 PolarHBondContact O-N 3.44Å; R136-Q138 HydrophobicContact CB-CG 3.99Å; R136-Q138 PolarHBondContact O-N 3.32Å |
| 137 | G | 78.4 | Confident | 73.4 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 22.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q133 A134 | Q133-G137 PolarHBondContact O-N 3.49Å; A134-G137 PolarHBondContact O-N 3.06Å |
| 138 | Q | 72.5 | Confident | 71.2 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | trans | -91.1 | 139 | 179.6 | -66.7 | -65 | -55.2 | 0 | 0 | 110.2 | Q133 R136 | Q133-Q138 PolarHBondContact O-N 3.2Å; R136-Q138 HydrophobicContact CB-CG 3.99Å; R136-Q138 PolarHBondContact O-N 3.32Å | ||
| 139 | P | 66.8 | Low | 68.8 | Low | 99 Ų | 99 | 67.4 Ų | 67.4 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | trans | -65.3 | 140 | 173.2 | 27.1 | -31.9 | 0 | 0 | 0 | 110 | Q133 S141 | Q133-P139 PolarHBondContact OE1-O 2.9Å; P139-S141 PolarHBondContact O-N 2.84Å | ||
| 140 | V | 64.4 | Low | 66.4 | Low | 27 Ų | 27 | 70 Ų | 70 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | trans | -69.6 | 102.4 | 175 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | L22 P54 V130 | L22-V140 HydrophobicContact CD1-CG1 4.14Å; P54-V140 HydrophobicContact CB-CG2 3.79Å; P54-V140 HydrophobicContact CG-CG2 4.37Å; V130-V140 HydrophobicContact CG1-CG2 3.98Å; V130-V140 HydrophobicContact CG2-CG1 4.06Å | ||
| 141 | S | 56.1 | Low | 63.9 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 54% | 0.538 | 47% | 0.473 | S | S | . | . | trans | -82.8 | 136.4 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | P139 A143 | P139-S141 PolarHBondContact O-N 2.84Å; S141-A143 PolarHBondContact O-N 3.05Å | ||
| 142 | G | 51.7 | Low | 61.3 | Low | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 4.7 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 143 | A | 48.7 | Very low | 59 | Low | 90 Ų | 90 | 81.4 Ų | 81.4 | 74% | 0.744 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S141 | S141-A143 PolarHBondContact O-N 3.05Š|
| 144 | F | 46.4 | Very low | 56.4 | Low | 164 Ų | 164 | 82.4 Ų | 82.4 | 72% | 0.719 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -131.8 | 119.4 | -170.2 | -144.2 | -96.8 | 0 | 0 | 0 | 113.7 | ||
| 145 | G | 46.4 | Very low | 54 | Low | 48 Ų | 48 | 87.2 Ų | 87.2 | 50% | 0.495 | 55% | 0.55 | S | S | . | * | S | Bend | trans | 95.7 | 20 | 161 | 0 | 0 | 0 | 0 | 0 | 117.4 | C147 | G145-C147 PolarHBondContact O-N 2.64Š|
| 146 | G | 50.8 | Low | 51.7 | Low | 68 Ų | 68 | 85 Ų | 85 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 74.3 | 4.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P148 | G146-P148 VanDerWaalsContact O-CD 3.31Å; G146-P148 WeakPolarHBondContact O-CD 3.44Å |
| 147 | C | 49.3 | Very low | 49.3 | Very low | 17 Ų | 17 | 86.2 Ų | 86.2 | 12% | 0.115 | 54% | 0.544 | C | S | . | . | trans | -81.2 | 111.8 | 169.1 | -127.1 | 0 | 0 | 0 | 0 | 107.7 | C126 G145 Y149 | C126-C147 HydrophobicContact CB-CB 4.14Å; C126-C147 WeakPolarHBondContact CB-SG 3.37Å; C126-C147 WeakPolarHBondContact SG-CB 3.16Å; C126-C147 CovalentContact SG-SG 2.03Å; C126-C147 PolarHBondContact SG-SG 3.33Å; G145-C147 PolarHBondContact O-N 2.64Å; C147-Y149 PolarHBondContact O-N 2.99Å | ||
| 148 | P | 49.5 | Very low | 47.7 | Very low | 31 Ų | 31 | 87.7 Ų | 87.7 | 20% | 0.201 | 54% | 0.541 | C | S | . | . | trans | -77.1 | 70.8 | -173.2 | 32.4 | -33.7 | 0 | 0 | 0 | 109.5 | G146 M150 Y155 A156 | G146-P148 VanDerWaalsContact O-CD 3.31Å; G146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-M150 PolarHBondContact O-N 2.94Å; P148-Y155 HydrophobicContact CG-CD1 3.85Å; P148-Y155 HydrophobicContact CG-CE1 4.36Å; P148-A156 HydrophobicContact CB-CB 4.41Å; P148-A156 WeakPolarHBondContact CB-O 3.48Å | ||
| 149 | Y | 45 | Very low | 46.3 | Very low | 71 Ų | 71 | 87.5 Ų | 87.5 | 28% | 0.278 | 55% | 0.55 | S | S | . | . | trans | -79.7 | 107 | 173.5 | -180 | -107.6 | 0 | 0 | 0 | 109.5 | S20 L22 C147 | S20-Y149 WeakPolarHBondContact OG-CE2 3.07Å; L22-Y149 HydrophobicContact CD2-CD2 3.16Å; L22-Y149 HydrophobicContact CD2-CE2 3.48Å; L22-Y149 VanDerWaalsContact CD2-CE2 3.48Å; L22-Y149 HydrophobicContact CD2-CG 4.05Å; C147-Y149 PolarHBondContact O-N 2.99Å | ||
| 150 | M | 43.8 | Very low | 45.1 | Very low | 123 Ų | 123 | 88 Ų | 88 | 61% | 0.606 | 55% | 0.553 | S | S | * | * | trans | -111.6 | 136.8 | 153 | -74.7 | -148.3 | 178.7 | 0 | 0 | 108.8 | P148 N152 G153 | P148-M150 PolarHBondContact O-N 2.94Å; M150-N152 PolarHBondContact O-N 2.86Å; M150-G153 PolarHBondContact O-N 3.15Å | ||
| 151 | A | 39 | Very low | 44 | Very low | 84 Ų | 84 | 92.5 Ų | 92.5 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 8.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 152 | N | 38.9 | Very low | 43.8 | Very low | 152 Ų | 152 | 93.7 Ų | 93.7 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 23.4 | -175.1 | -153.8 | 22.9 | 0 | 0 | 0 | 114.6 | M150 A154 | M150-N152 PolarHBondContact O-N 2.86Å; N152-A154 PolarHBondContact O-N 2.5Å |
| 153 | G | 42.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 99.4 Ų | 99.4 | 76% | 0.763 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 74.1 | 11.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | M150 | M150-G153 PolarHBondContact O-N 3.15Š|
| 154 | A | 33.1 | Very low | 43.2 | Very low | 63 Ų | 63 | 98 Ų | 98 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | trans | -94.6 | 118 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N152 A156 | N152-A154 PolarHBondContact O-N 2.5Å; A154-A156 PolarHBondContact O-N 3Å | ||
| 155 | Y | 37.2 | Very low | 42.8 | Very low | 132 Ų | 132 | 101 Ų | 101 | 52% | 0.518 | 62% | 0.622 | S | S | . | * | trans | -66.2 | 112.8 | 169.7 | -83.6 | -90.9 | 0 | 0 | 0 | 109.3 | M23 S24 P148 | M23-Y155 WeakPolarHBondContact CA-OH 3.31Å; S24-Y155 PolarHBondContact N-OH 2.9Å; S24-Y155 PolarHBondContact OG-OH 3.44Å; S24-Y155 VanDerWaalsContact OG-OH 3.06Å; P148-Y155 HydrophobicContact CG-CD1 3.85Å; P148-Y155 HydrophobicContact CG-CE1 4.36Å | ||
| 156 | A | 38.4 | Very low | 42.5 | Very low | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -85.3 | 119.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.3 | P148 A154 | P148-A156 HydrophobicContact CB-CB 4.41Å; P148-A156 WeakPolarHBondContact CB-O 3.48Å; A154-A156 PolarHBondContact O-N 3Å |
| 157 | Y | 36.4 | Very low | 42.1 | Very low | 217 Ų | 217 | 106.5 Ų | 106.5 | 85% | 0.851 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135.7 | 167.6 | -135.5 | -91.8 | 0 | 0 | 0 | 108.5 | ||
| 158 | P | 45.3 | Very low | 42.1 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.2 | 171.6 | 23.8 | -31.2 | 0 | 0 | 0 | 108.8 | ||
| 159 | P | 41.9 | Very low | 42.3 | Very low | 115 Ų | 115 | 113.1 Ų | 113.1 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138.7 | 175.4 | 24.4 | -31.6 | 0 | 0 | 0 | 109 | ||
| 160 | P | 42.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 149.2 | 177.6 | 23.5 | -32 | 0 | 0 | 0 | 110.4 | A162 | P160-A162 PolarHBondContact O-N 3.2Š|
| 161 | P | 41.4 | Very low | 42.7 | Very low | 120 Ų | 120 | 116 Ų | 116 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125 | -179.7 | 20.9 | -30.6 | 0 | 0 | 0 | 110 | N163 | P161-N163 PolarHBondContact O-N 3.47Š|
| 162 | A | 51.6 | Low | 43.3 | Very low | 103 Ų | 103 | 115 Ų | 115 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | -71.6 | 76.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | P160 | P160-A162 PolarHBondContact O-N 3.2Š| ||
| 163 | N | 46.1 | Very low | 43.4 | Very low | 158 Ų | 158 | 118.7 Ų | 118.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -109 | 99.5 | 166.1 | -88.9 | 39.6 | 0 | 0 | 0 | 109.5 | P161 | P161-N163 PolarHBondContact O-N 3.47Š| ||
| 164 | G | 42.3 | Very low | 43.2 | Very low | 61 Ų | 61 | 121.1 Ų | 121.1 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 96.2 | 114 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 165 | Y | 37.6 | Very low | 43.7 | Very low | 227 Ų | 227 | 128.2 Ų | 128.2 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | 76 | 130.1 | 161.4 | -60.7 | -86.3 | 0 | 0 | 0 | 118.3 | A167 | Y165-A167 PolarHBondContact O-N 3.24Š| ||
| 166 | P | 39.3 | Very low | 44.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -73.4 | 102.9 | 174.8 | 29.2 | -29.2 | 0 | 0 | 0 | 109.1 | G168 | P166-G168 PolarHBondContact O-N 3.21Š| ||
| 167 | A | 42.9 | Very low | 44.8 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y165 | Y165-A167 PolarHBondContact O-N 3.24Š|
| 168 | G | 50.5 | Low | 45.3 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 157.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P166 | P166-G168 PolarHBondContact O-N 3.21Š|
| 169 | P | 53.8 | Low | 45.5 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144 | -176.3 | 24.3 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 170 | P | 46.3 | Very low | 46.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.9 | 179.1 | 23.7 | -30.6 | 0 | 0 | 0 | 111.7 | G172 | P170-G172 PolarHBondContact O-N 3.06Š|
| 171 | P | 50.2 | Low | 46.2 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -76.9 | 124.7 | -177.3 | 30.4 | -30.6 | 0 | 0 | 0 | 109.7 | ||
| 172 | G | 52.5 | Low | 46.2 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | 151.5 | 2.9 | 159 | 0 | 0 | 0 | 0 | 0 | 121.2 | P170 | P170-G172 PolarHBondContact O-N 3.06Š| ||
| 173 | Y | 39.7 | Very low | 46 | Very low | 229 Ų | 229 | 129.2 Ų | 129.2 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -138.1 | 98.7 | 170.5 | -81.6 | -83.7 | 0 | 0 | 0 | 111.8 | Y175 | Y173-Y175 PolarHBondContact O-N 2.99Š| ||
| 174 | S | 38.2 | Very low | 46 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -69.8 | 107.7 | 168.3 | -54.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 175 | Y | 43.1 | Very low | 45.8 | Very low | 213 Ų | 213 | 139 Ų | 139 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68 | 137.7 | 162.1 | -96.3 | -93.6 | 0 | 0 | 0 | 108.9 | Y173 N177 | Y173-Y175 PolarHBondContact O-N 2.99Å; Y175-N177 PolarHBondContact O-N 2.8Å |
| 176 | P | 47 | Very low | 46 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 132.1 | 170 | -19.4 | 30.5 | 0 | 0 | 0 | 109.8 | ||
| 177 | N | 51.8 | Low | 46.1 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.6 | 173.7 | -141.8 | 54.5 | 0 | 0 | 0 | 109.1 | Y175 | Y175-N177 PolarHBondContact O-N 2.8Š|
| 178 | P | 48.2 | Very low | 46 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 140 | 175.3 | 24.1 | -30.8 | 0 | 0 | 0 | 109.9 | ||
| 179 | P | 49.8 | Very low | 45.5 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 154.3 | 178.6 | 27 | -32 | 0 | 0 | 0 | 111.2 | ||
| 180 | P | 53 | Low | 45 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 150.9 | 177.9 | -15.6 | 29.5 | 0 | 0 | 0 | 111.3 | D182 | P180-D182 PolarHBondContact O-N 2.8Š|
| 181 | P | 45.9 | Very low | 44.5 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -76.8 | 86.5 | -179.9 | 30.9 | -32 | 0 | 0 | 0 | 110.3 | ||||
| 182 | D | 40 | Very low | 44.1 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -99.4 | 114.6 | 163.1 | -91.4 | -34.2 | 0 | 0 | 0 | 110.5 | P180 | P180-D182 PolarHBondContact O-N 2.8Š| ||
| 183 | A | 48.8 | Very low | 43.7 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 2.4 | 109.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 184 | F | 46 | Very low | 44.1 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | 176.8 | 95.3 | 123.2 | -119.6 | -102.4 | 0 | 0 | 0 | 110.3 | |||||
| 185 | Y | 38 | Very low | 44.1 | Very low | 231 Ų | 231 | 135.1 Ų | 135.1 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -139.2 | 125.9 | 149.7 | -88.7 | -83.6 | 0 | 0 | 0 | 107.5 | N187 | Y185-N187 PolarHBondContact O-N 3Š| ||
| 186 | P | 40.7 | Very low | 43.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 121.2 | 176.8 | 27.2 | -32.1 | 0 | 0 | 0 | 109.2 | ||
| 187 | N | 41.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.3 | 169.1 | -167.5 | 25.4 | 0 | 0 | 0 | 109.5 | Y185 A189 | Y185-N187 PolarHBondContact O-N 3Å; N187-A189 PolarHBondContact O-N 2.91Å |
| 188 | P | 40.8 | Very low | 43.3 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 137.4 | 167.9 | 24.4 | -32.1 | 0 | 0 | 0 | 109.3 | Q190 | P188-Q190 PolarHBondContact O-N 3.06Š|
| 189 | A | 41.5 | Very low | 43.3 | Very low | 100 Ų | 100 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 125.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N187 F191 | N187-A189 PolarHBondContact O-N 2.91Å; A189-F191 PolarHBondContact O-N 3.28Å |
| 190 | Q | 41.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -64.4 | 113.8 | 166.6 | -63.3 | -176.9 | -97.7 | 0 | 0 | 107.8 | P188 D192 | P188-Q190 PolarHBondContact O-N 3.06Å; Q190-D192 PolarHBondContact O-N 3.25Å | ||
| 191 | F | 36.2 | Very low | 42 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | -81 | 98.9 | 169.5 | -159.1 | -91.5 | 0 | 0 | 0 | 107.7 | A189 | A189-F191 PolarHBondContact O-N 3.28Š| ||
| 192 | D | 43 | Very low | 41.9 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -91.1 | 106.8 | 173.4 | -158.9 | 10.8 | 0 | 0 | 0 | 107.9 | Q190 | Q190-D192 PolarHBondContact O-N 3.25Š| ||
| 193 | G | 43.1 | Very low | 41.6 | Very low | 37 Ų | 37 | 137.5 Ų | 137.5 | 38% | 0.381 | 77% | 0.766 | S | S | . | * | S | Bend | trans | 169.3 | 133.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A195 | G193-A195 PolarHBondContact O-N 2.96Š|
| 194 | P | 48 | Very low | 41.4 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 93% | 0.929 | 77% | 0.769 | S | S | * | * | trans | -79.6 | 91.8 | -175.1 | 32.6 | -33 | 0 | 0 | 0 | 110.9 | ||||
| 195 | A | 38.9 | Very low | 41.2 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -125 | 89.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G193 | G193-A195 PolarHBondContact O-N 2.96Š| ||
| 196 | A | 39.3 | Very low | 41.2 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 46.1 | 87.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | M198 | A196-M198 PolarHBondContact O-N 3.3Å; A196-M198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | Y | 43.2 | Very low | 41.2 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | -61.1 | 104.8 | 144.2 | -175.2 | -93.9 | 0 | 0 | 0 | 107.8 | P199 | Y197-P199 HydrophobicContact CE1-CB 4.19Å; Y197-P199 WeakPolarHBondContact O-CD 3.39Å | ||
| 198 | M | 41.3 | Very low | 41.1 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -94.6 | 110.5 | 172.1 | -158.5 | 178.5 | 173.1 | 0 | 0 | 107.4 | A196 | A196-M198 PolarHBondContact O-N 3.3Å; A196-M198 VanDerWaalsContact O-N 3.08Å | ||
| 199 | P | 48.1 | Very low | 40.9 | Very low | 86 Ų | 86 | 133 Ų | 133 | 56% | 0.558 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.1 | 177.5 | 25.7 | -32.2 | 0 | 0 | 0 | 110.2 | Y197 | Y197-P199 HydrophobicContact CE1-CB 4.19Å; Y197-P199 WeakPolarHBondContact O-CD 3.39Å |
| 200 | P | 35 | Very low | 40.6 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.8 | 178.6 | 27.1 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 201 | P | 40.8 | Very low | 40.4 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.3 | -178.7 | 26.8 | -32.6 | 0 | 0 | 0 | 111.2 | Y203 | P201-Y203 PolarHBondContact O-N 2.86Š|
| 202 | P | 44.1 | Very low | 40.6 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.7 | -179.4 | 25 | -31.9 | 0 | 0 | 0 | 111.1 | S204 | P202-S204 PolarHBondContact O-N 3.2Å; P202-S204 VanDerWaalsContact O-N 3.09Å |
| 203 | Y | 34.9 | Very low | 40.3 | Very low | 237 Ų | 237 | 131 Ų | 131 | 93% | 0.929 | 77% | 0.773 | S | S | * | * | trans | -63.5 | 109.5 | 175.5 | -133.4 | -92.7 | 0 | 0 | 0 | 109.1 | P201 A205 | P201-Y203 PolarHBondContact O-N 2.86Å; Y203-A205 PolarHBondContact O-N 3.14Å | ||
| 204 | S | 43.7 | Very low | 40.2 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 102.8 | 173.6 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | P202 | P202-S204 PolarHBondContact O-N 3.2Å; P202-S204 VanDerWaalsContact O-N 3.09Å | ||
| 205 | A | 42 | Very low | 40.1 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -78.2 | 137.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y203 L207 | Y203-A205 PolarHBondContact O-N 3.14Å; A205-L207 PolarHBondContact O-N 2.85Å | ||
| 206 | P | 38.1 | Very low | 40.4 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 126 | 172.4 | -15.3 | 28.8 | 0 | 0 | 0 | 110.5 | G208 | P206-G208 PolarHBondContact O-N 3.09Š| ||
| 207 | L | 40.7 | Very low | 40.6 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -58.8 | 97.4 | 169.7 | -90.9 | 140.8 | 0 | 0 | 0 | 110.3 | A205 | A205-L207 PolarHBondContact O-N 2.85Š| ||
| 208 | G | 38.7 | Very low | 40.5 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 129.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P206 Q210 | P206-G208 PolarHBondContact O-N 3.09Å; G208-Q210 PolarHBondContact O-N 3.19Å |
| 209 | Q | 37.7 | Very low | 40.9 | Very low | 197 Ų | 197 | 132.9 Ų | 132.9 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.8 | -173.9 | -63.4 | 167.3 | -14 | 0 | 0 | 112.5 | ||
| 210 | Q | 33.6 | Very low | 41.3 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 123.6 | 166.5 | -87.5 | 176.2 | -45.8 | 0 | 0 | 110 | G208 | G208-Q210 PolarHBondContact O-N 3.19Š|
| 211 | A | 39.2 | Very low | 42.2 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 157.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | H213 | A211-H213 PolarHBondContact O-N 2.03Š|
| 212 | P | 38.6 | Very low | 42.7 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.1 | -165.3 | -18.6 | 30.6 | 0 | 0 | 0 | 113.4 | N214 | P212-N214 PolarHBondContact O-N 3.41Š|
| 213 | H | 38.3 | Very low | 43 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.9 | -179.6 | -163.7 | 20.4 | 0 | 0 | 0 | 110.8 | A211 | A211-H213 PolarHBondContact O-N 2.03Š|
| 214 | N | 40.6 | Very low | 44 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 122.1 | 173.6 | -152.7 | -13.5 | 0 | 0 | 0 | 108.8 | P212 D216 | P212-N214 PolarHBondContact O-N 3.41Å; N214-D216 PolarHBondContact O-N 3.48Å |
| 215 | P | 45.5 | Very low | 44.6 | Very low | 101 Ų | 101 | 121 Ų | 121 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -98.5 | 67.9 | -160.2 | 37.9 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 216 | D | 46 | Very low | 45.2 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -154.3 | 24.3 | 173 | -115.7 | -34.5 | 0 | 0 | 0 | 118 | N214 | N214-D216 PolarHBondContact O-N 3.48Š|
| 217 | L | 43.3 | Very low | 45.9 | Very low | 156 Ų | 156 | 122 Ų | 122 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -142.3 | 143.2 | 168.1 | -87.9 | 104.7 | 0 | 0 | 0 | 114.1 | S219 | L217-S219 PolarHBondContact O-N 2.94Š|
| 218 | P | 40.4 | Very low | 46.6 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | trans | -67 | 116 | 178.8 | 26.3 | -31.8 | 0 | 0 | 0 | 110.9 | T220 | P218-T220 PolarHBondContact O-N 2.77Š| ||
| 219 | S | 50.6 | Low | 47.3 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -79.8 | 108.4 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | L217 | L217-S219 PolarHBondContact O-N 2.94Š| ||
| 220 | T | 56.2 | Low | 47.8 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 48% | 0.479 | 68% | 0.681 | S | S | . | * | trans | -110.7 | 147.1 | 168.2 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | P218 A222 A223 | P218-T220 PolarHBondContact O-N 2.77Å; T220-A222 PolarHBondContact O-N 3.01Å; T220-A223 PolarHBondContact O-N 2.84Å | ||
| 221 | P | 53.9 | Low | 48.8 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -55.3 | -26.3 | -179.1 | -23.9 | 31.1 | 0 | 0 | 0 | 113.8 | A225 | P221-A225 PolarHBondContact O-N 2.86Å |
| 222 | A | 50.2 | Low | 49.3 | Very low | 75 Ų | 75 | 106.7 Ų | 106.7 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71 | -31.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T220 K226 | T220-A222 PolarHBondContact O-N 3.01Å; A222-K226 PolarHBondContact O-N 3.47Å |
| 223 | A | 49.9 | Very low | 49.6 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.3 | -36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T220 K226 A227 | T220-A223 PolarHBondContact O-N 2.84Å; A223-K226 PolarHBondContact O-N 3.43Å; A223-A227 PolarHBondContact O-N 3.19Å |
| 224 | E | 57.8 | Low | 49.9 | Very low | 147 Ų | 147 | 100.2 Ų | 100.2 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.7 | -39.2 | 179.7 | -142.1 | 174.3 | 165.1 | 0 | 0 | 111.8 | K226 A227 A228 | E224-K226 VanDerWaalsContact C-N 3.3Å; E224-K226 PolarHBondContact O-N 3.01Å; E224-A227 PolarHBondContact O-N 3.37Å; E224-A228 PolarHBondContact O-N 2.95Å |
| 225 | A | 56.3 | Low | 50.1 | Low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.6 | -38.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P221 A228 E229 | P221-A225 PolarHBondContact O-N 2.86Å; A225-A228 PolarHBondContact O-N 2.77Å; A225-E229 PolarHBondContact O-N 3.37Å; A225-E229 VanDerWaalsContact O-N 3.13Å |
| 226 | K | 54 | Low | 49.9 | Very low | 165 Ų | 165 | 98.7 Ų | 98.7 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.9 | -32.3 | -179.6 | -162.7 | 169.4 | -173.9 | 175.5 | 0 | 113 | A222 A223 E224 A230 | A222-K226 PolarHBondContact O-N 3.47Å; A223-K226 PolarHBondContact O-N 3.43Å; E224-K226 VanDerWaalsContact C-N 3.3Å; E224-K226 PolarHBondContact O-N 3.01Å; K226-A230 PolarHBondContact O-N 3.24Å |
| 227 | A | 52.3 | Low | 49.7 | Very low | 64 Ų | 64 | 95.1 Ų | 95.1 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.5 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A223 E224 A230 A231 | A223-A227 PolarHBondContact O-N 3.19Å; E224-A227 PolarHBondContact O-N 3.37Å; A227-A230 PolarHBondContact O-N 3.27Å; A227-A231 PolarHBondContact O-N 2.77Å; A227-A231 VanDerWaalsContact O-N 3.16Å |
| 228 | A | 55.8 | Low | 49.5 | Very low | 64 Ų | 64 | 94.6 Ų | 94.6 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.3 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E224 A225 A231 A232 | E224-A228 PolarHBondContact O-N 2.95Å; A225-A228 PolarHBondContact O-N 2.77Å; A228-A231 PolarHBondContact O-N 3.23Å; A228-A232 PolarHBondContact O-N 3.18Å; A228-A232 VanDerWaalsContact O-N 3.08Å |
| 229 | E | 53.5 | Low | 49.6 | Very low | 143 Ų | 143 | 96.6 Ų | 96.6 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.2 | -34.8 | 177.2 | -162 | 176.1 | 137.7 | 0 | 0 | 112.6 | A225 S233 | A225-E229 PolarHBondContact O-N 3.37Å; A225-E229 VanDerWaalsContact O-N 3.13Å; E229-S233 PolarHBondContact O-N 2.81Å; E229-S233 PolarHBondContact O-OG 3.09Å |
| 230 | A | 48.9 | Very low | 49.2 | Very low | 65 Ų | 65 | 96.1 Ų | 96.1 | 54% | 0.537 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K226 A227 S233 A234 | K226-A230 PolarHBondContact O-N 3.24Å; A227-A230 PolarHBondContact O-N 3.27Å; A230-S233 PolarHBondContact O-N 3.34Å; A230-A234 PolarHBondContact O-N 3.42Å |
| 231 | A | 53.7 | Low | 48.6 | Very low | 66 Ų | 66 | 98.8 Ų | 98.8 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.4 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A227 A228 S233 A234 S235 | A227-A231 PolarHBondContact O-N 2.77Å; A227-A231 VanDerWaalsContact O-N 3.16Å; A228-A231 PolarHBondContact O-N 3.23Å; A231-S233 VanDerWaalsContact C-N 3.29Å; A231-S233 PolarHBondContact O-N 3.07Å; A231-A234 PolarHBondContact O-N 3.05Å; A231-S235 PolarHBondContact O-OG 3.35Å |
| 232 | A | 50.4 | Low | 48 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.6 | -30.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A228 S235 | A228-A232 PolarHBondContact O-N 3.18Å; A228-A232 VanDerWaalsContact O-N 3.08Å; A232-S235 PolarHBondContact O-OG 3.48Å; A232-S235 VanDerWaalsContact O-OG 3.05Å |
| 233 | S | 44.8 | Very low | 47.6 | Very low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.1 | -25.5 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | E229 A230 A231 | E229-S233 PolarHBondContact O-N 2.81Å; E229-S233 PolarHBondContact O-OG 3.09Å; A230-S233 PolarHBondContact O-N 3.34Å; A231-S233 VanDerWaalsContact C-N 3.29Å; A231-S233 PolarHBondContact O-N 3.07Å |
| 234 | A | 44 | Very low | 47.6 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.3 | -23.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A230 A231 C236 | A230-A234 PolarHBondContact O-N 3.42Å; A231-A234 PolarHBondContact O-N 3.05Å; A234-C236 VanDerWaalsContact C-N 3.33Å; A234-C236 PolarHBondContact O-N 3.24Å |
| 235 | S | 45.2 | Very low | 46.8 | Very low | 100 Ų | 100 | 108.9 Ų | 108.9 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -1.3 | -179.6 | 22.6 | 0 | 0 | 0 | 0 | 114.9 | A231 A232 | A231-S235 PolarHBondContact O-OG 3.35Å; A232-S235 PolarHBondContact O-OG 3.48Å; A232-S235 VanDerWaalsContact O-OG 3.05Å |
| 236 | C | 41.5 | Very low | 46.5 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 24.5 | 179.6 | -152.3 | 0 | 0 | 0 | 0 | 113.6 | A234 | A234-C236 VanDerWaalsContact C-N 3.33Å; A234-C236 PolarHBondContact O-N 3.24Å |
| 237 | A | 40.6 | Very low | 46.1 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | trans | -127.2 | 83.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 238 | T | 39 | Very low | 45.9 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -125.7 | 79.6 | 151.8 | -41.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 239 | L | 43.9 | Very low | 45.5 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -97.9 | 138.6 | 166.3 | -66.7 | 177 | 0 | 0 | 0 | 108.6 | ||||
| 240 | P | 42.4 | Very low | 45.4 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -68.5 | 156.4 | 172.9 | 30 | -33.3 | 0 | 0 | 0 | 110.6 | V242 | P240-V242 PolarHBondContact O-N 3.08Å; P240-V242 VanDerWaalsContact O-N 3.1Å | ||
| 241 | P | 43.6 | Very low | 45.3 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | trans | -67.5 | 113 | -176.7 | 27.3 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 242 | V | 40.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 118.6 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | P240 L244 | P240-V242 PolarHBondContact O-N 3.08Å; P240-V242 VanDerWaalsContact O-N 3.1Å; V242-L244 PolarHBondContact O-N 3.35Å |
| 243 | Y | 42.2 | Very low | 44.8 | Very low | 214 Ų | 214 | 133.8 Ų | 133.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.2 | 175.8 | -160.2 | -95 | 0 | 0 | 0 | 109.7 | P245 | Y243-P245 WeakPolarHBondContact O-CD 3.45Š|
| 244 | L | 49.3 | Very low | 44.9 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 120.6 | 172.4 | -86.1 | 148 | 0 | 0 | 0 | 109.9 | V242 Q246 | V242-L244 PolarHBondContact O-N 3.35Å; L244-Q246 PolarHBondContact O-N 3.25Å |
| 245 | P | 41.3 | Very low | 45.1 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 121.7 | 164.1 | -8.2 | 26 | 0 | 0 | 0 | 108.9 | Y243 D247 | Y243-P245 WeakPolarHBondContact O-CD 3.45Å; P245-D247 PolarHBondContact O-N 3.07Å |
| 246 | Q | 48.6 | Very low | 45.4 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -68.9 | 95 | 166.1 | -83.4 | 179 | -34.1 | 0 | 0 | 109.1 | L244 K248 | L244-Q246 PolarHBondContact O-N 3.25Å; Q246-K248 PolarHBondContact O-N 3.19Å | ||
| 247 | D | 46.6 | Very low | 46.1 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -80.3 | 104.7 | 165.7 | -116.8 | -49.1 | 0 | 0 | 0 | 108.9 | P245 | P245-D247 PolarHBondContact O-N 3.07Š| ||
| 248 | K | 48.3 | Very low | 46.4 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 134 | 168.9 | -97.2 | 178.8 | 176.3 | 175.1 | 0 | 108.3 | Q246 | Q246-K248 PolarHBondContact O-N 3.19Š|
| 249 | P | 46.3 | Very low | 46.9 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.8 | 174.8 | 25.8 | -32.1 | 0 | 0 | 0 | 110.6 | ||
| 250 | P | 51.4 | Low | 46.7 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 147.7 | 179.5 | 25.4 | -32.4 | 0 | 0 | 0 | 111.2 | ||
| 251 | P | 47 | Very low | 46.6 | Very low | 121 Ų | 121 | 158.2 Ų | 158.2 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68 | 134.7 | -178.4 | 26.3 | -31.4 | 0 | 0 | 0 | 111.4 | S253 | P251-S253 PolarHBondContact O-N 3.28Š|
| 252 | Y | 39.2 | Very low | 46.7 | Very low | 228 Ų | 228 | 159.4 Ų | 159.4 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.9 | 178.1 | -135.8 | -91.5 | 0 | 0 | 0 | 110.5 | ||
| 253 | S | 55.2 | Low | 47 | Very low | 102 Ų | 102 | 161.1 Ų | 161.1 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 124.7 | 165.8 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | P251 | P251-S253 PolarHBondContact O-N 3.28Š|
| 254 | P | 47.5 | Very low | 47.3 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.3 | 176.3 | 26.9 | -30.8 | 0 | 0 | 0 | 110.7 | E256 | P254-E256 PolarHBondContact O-N 3.4Š|
| 255 | T | 48.3 | Very low | 47.2 | Very low | 133 Ų | 133 | 158.3 Ų | 158.3 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.6 | 176.4 | 35.7 | 0 | 0 | 0 | 0 | 111.2 | D257 | T255-D257 PolarHBondContact O-N 2.93Š|
| 256 | E | 51.7 | Low | 47.5 | Very low | 190 Ų | 190 | 161.6 Ų | 161.6 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -74 | 112 | 164.3 | -74.4 | -171.4 | 105.7 | 0 | 0 | 109.8 | P254 K258 | P254-E256 PolarHBondContact O-N 3.4Å; E256-K258 PolarHBondContact O-N 3.24Å | ||
| 257 | D | 54.4 | Low | 47.5 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -53.1 | 121.7 | 159.7 | -87.5 | -83.8 | 0 | 0 | 0 | 110.8 | T255 | T255-D257 PolarHBondContact O-N 2.93Š| ||
| 258 | K | 48.3 | Very low | 47.5 | Very low | 206 Ų | 206 | 159.6 Ų | 159.6 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -127.6 | 92.4 | 154.3 | -90.9 | -173.9 | 177.6 | 173 | 0 | 111.2 | E256 | E256-K258 PolarHBondContact O-N 3.24Š| ||
| 259 | K | 49.3 | Very low | 47.5 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | -78.5 | 148.5 | 157.3 | -168.9 | 177.2 | -179.1 | 173.6 | 0 | 109.5 | ||||
| 260 | T | 39.3 | Very low | 47.6 | Very low | 127 Ų | 127 | 161.4 Ų | 161.4 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | trans | 75.6 | 133.5 | 161.4 | 13.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 261 | K | 39.3 | Very low | 47.2 | Very low | 269 Ų | 269 | 165.5 Ų | 165.5 | 100% | 1.17 | 84% | 0.843 | S | S | * | * | cis | -157.3 | 0 | 23.9 | -174.7 | -174 | -178.7 | -166.3 | 0 | 109.5 |
Retrieved 261 of 261 residues in 266.8 ms
(Link to these results)