| 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 | 74.7 | Confident | 89.3 | Confident | 185 Ų | 185 | 74.9 Ų | 74.9 | 91% | 0.911 | 44% | 0.439 | S | S | * | . | 0 | 116.6 | 0 | -155.3 | 170 | 97.9 | 0 | 0 | 106.8 | S4 | M1-S4 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-OG 3.18Å | |||
| 2 | P | 85.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 31% | 0.305 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -72.2 | -32.5 | -165.4 | 26.7 | -32.7 | 0 | 0 | 0 | 113.6 | S4 N5 V15 A20 | P2-S4 PolarHBondContact O-N 3.41Å; P2-N5 PolarHBondContact O-N 3.35Å; P2-V15 HydrophobicContact CG-CB 4.24Å; P2-V15 HydrophobicContact CG-CG1 3.61Å; P2-V15 HydrophobicContact CG-CG2 3.67Å; P2-A20 HydrophobicContact CB-CB 3.85Å; P2-A20 HydrophobicContact CG-CB 4.33Å |
| 3 | C | 90 | Very high | 90.2 | Very high | 33 Ų | 33 | 73 Ų | 73 | 22% | 0.223 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -64.1 | -8.6 | 174.7 | -70.6 | 0 | 0 | 0 | 0 | 115.1 | N5 C13 | C3-N5 VanDerWaalsContact C-N 3.32Å; C3-C13 WeakPolarHBondContact CA-SG 3.43Å; C3-C13 HydrophobicContact CB-CB 3.85Å; C3-C13 WeakPolarHBondContact CB-SG 3.2Å; C3-C13 WeakPolarHBondContact SG-CB 3.48Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 3.37Å |
| 4 | S | 89.2 | Confident | 90.6 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 58% | 0.58 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -73.6 | -25.1 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | M1 P2 | M1-S4 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-OG 3.18Å; P2-S4 PolarHBondContact O-N 3.41Å |
| 5 | N | 87.7 | Confident | 90.7 | Very high | 159 Ų | 159 | 72.7 Ų | 72.7 | 85% | 0.85 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -114.6 | 8.1 | -179.3 | -71.8 | -17.8 | 0 | 0 | 0 | 112.6 | P2 C3 | P2-N5 PolarHBondContact O-N 3.35Å; C3-N5 VanDerWaalsContact C-N 3.32Å |
| 6 | F | 90.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | trans | -127 | 122.3 | -175.9 | -172.4 | -103.3 | 0 | 0 | 0 | 109.5 | A20 C22 E31 H32 | F6-A20 HydrophobicContact CB-CB 3.76Å; F6-A20 HydrophobicContact CD1-CB 3.7Å; F6-A20 HydrophobicContact CE1-CB 4.46Å; F6-A20 HydrophobicContact CG-CB 3.83Å; F6-C22 HydrophobicContact CE1-CB 4.39Å; F6-C22 WeakPolarHBondContact CE1-SG 3.42Å; F6-E31 HydrophobicContact CE2-CG 3.8Å; F6-E31 WeakPolarHBondContact CE2-OE1 3.32Å; F6-E31 HydrophobicContact CZ-CG 3.62Å; F6-E31 WeakPolarHBondContact CZ-O 3.44Å; F6-H32 AromaticContact CD2-NE2 3.76Å; F6-H32 AromaticContact CE2-CD2 3.66Å; F6-H32 AromaticContact CE2-NE2 3.29Å; F6-H32 VanDerWaalsContact CE2-NE2 3.29Å; F6-H32 WeakPolarHBondContact CE2-NE2 3.47Å; F6-H32 AromaticContact CZ-CD2 3.88Å; F6-H32 AromaticContact CZ-NE2 3.96Å | ||
| 7 | T | 93 | Very high | 90.5 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | trans | -112.1 | 120.2 | -167.6 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | H32 | T7-H32 WeakPolarHBondContact O-CB 3.16Å; T7-H32 PolarHBondContact O-CD2 3.43Å | ||
| 8 | C | 94.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 16% | 0.155 | 47% | 0.474 | C | S | . | . | trans | -94.8 | 117.9 | 169.6 | -52.1 | 0 | 0 | 0 | 0 | 109 | G11 C13 C22 | C8-G11 WeakPolarHBondContact CB-O 3.46Å; C8-C13 VanDerWaalsContact SG-CA 3.56Å; C8-C22 WeakPolarHBondContact CA-SG 3.48Å; C8-C22 HydrophobicContact CB-CB 3.87Å; C8-C22 WeakPolarHBondContact CB-SG 3.45Å; C8-C22 WeakPolarHBondContact SG-CA 3.09Å; C8-C22 WeakPolarHBondContact SG-CB 3.27Å; C8-C22 CovalentContact SG-SG 2.02Å; C8-C22 PolarHBondContact SG-SG 2.69Å | ||
| 9 | V | 92 | Very high | 90.4 | Very high | 90 Ų | 90 | 82.6 Ų | 82.6 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -73.4 | -55.3 | -178 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | H32 D34 | V9-H32 PolarHBondContact N-O 3.39Å; V9-D34 HydrophobicContact CB-CB 4.47Å; V9-D34 HydrophobicContact CG2-CB 4.13Å |
| 10 | N | 91.4 | Very high | 90.6 | Very high | 48 Ų | 48 | 79.5 Ų | 79.5 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -118.8 | 51.5 | 178.3 | -60 | -74.3 | 0 | 0 | 0 | 111.4 | S25 Y28 C33 | N10-S25 WeakPolarHBondContact O-CB 3.42Å; N10-S25 PolarHBondContact O-N 3.2Å; N10-S25 PolarHBondContact O-OG 3.38Å; N10-Y28 HydrophobicContact CB-CD1 3.77Å; N10-Y28 HydrophobicContact CB-CD2 3.61Å; N10-Y28 HydrophobicContact CB-CE1 4.07Å; N10-Y28 HydrophobicContact CB-CE2 3.91Å; N10-Y28 HydrophobicContact CB-CG 3.51Å; N10-Y28 WeakPolarHBondContact ND2-CD1 3.49Å; N10-Y28 WeakPolarHBondContact ND2-CE1 3.25Å; N10-C33 HydrophobicContact CB-CB 4.42Å; N10-C33 WeakPolarHBondContact CB-O 3.28Å; N10-C33 PolarHBondContact N-O 3.41Å; N10-C33 PolarHBondContact ND2-O 3.45Å; N10-C33 VanDerWaalsContact ND2-O 3.15Å |
| 11 | G | 93.5 | Very high | 90.8 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 25% | 0.247 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C8 I23 | C8-G11 WeakPolarHBondContact CB-O 3.46Å; G11-I23 CarbonylContact C-O 3.54Å; G11-I23 WeakPolarHBondContact CA-O 3.09Å |
| 12 | S | 95.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 72 Ų | 72 | 57% | 0.566 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 131 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | I23 | S12-I23 PolarHBondContact N-O 3.43Å; S12-I23 PolarHBondContact O-N 2.93Å |
| 13 | C | 95.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 30% | 0.297 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | C3 C8 E21 | C3-C13 WeakPolarHBondContact CA-SG 3.43Å; C3-C13 HydrophobicContact CB-CB 3.85Å; C3-C13 WeakPolarHBondContact CB-SG 3.2Å; C3-C13 WeakPolarHBondContact SG-CB 3.48Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 3.37Å; C8-C13 VanDerWaalsContact SG-CA 3.56Å; C13-E21 WeakPolarHBondContact CA-O 3.42Å |
| 14 | I | 94.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 74.9 Ų | 74.9 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 158.4 | 171.8 | 59.7 | 160.2 | 0 | 0 | 0 | 110.3 | A20 E21 I23 | I14-A20 WeakPolarHBondContact O-CA 3.29Å; I14-E21 HydrophobicContact CG1-CB 4.21Å; I14-E21 WeakPolarHBondContact CG1-O 3.35Å; I14-E21 PolarHBondContact N-O 3.21Å; I14-E21 PolarHBondContact O-N 3.32Å; I14-I23 HydrophobicContact CD1-CD1 3.97Å; I14-I23 HydrophobicContact CD1-CG1 3.89Å; I14-I23 HydrophobicContact CG1-CD1 4.35Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; I14-I23 HydrophobicContact CG2-CD1 3.7Å; I14-I23 HydrophobicContact CG2-CG1 4.12Å |
| 15 | V | 93.1 | Very high | 92.7 | Very high | 77 Ų | 77 | 74 Ų | 74 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112.2 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | P2 G17 K19 | P2-V15 HydrophobicContact CG-CB 4.24Å; P2-V15 HydrophobicContact CG-CG1 3.61Å; P2-V15 HydrophobicContact CG-CG2 3.67Å; V15-G17 WeakPolarHBondContact CG1-O 3.37Å; V15-K19 CarbonylContact C-O 3.54Å; V15-K19 WeakPolarHBondContact CA-O 3.48Å |
| 16 | T | 89.7 | Confident | 92.9 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 99 | 176 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | E18 K19 E21 | T16-E18 PolarHBondContact O-N 3.47Å; T16-K19 PolarHBondContact N-O 2.85Å; T16-K19 PolarHBondContact O-N 3.09Å; T16-K19 VanDerWaalsContact O-N 3.1Å; T16-E21 WeakPolarHBondContact CB-OE2 3.48Å; T16-E21 PolarHBondContact OG1-OE2 2.99Å |
| 17 | G | 88.6 | Confident | 92.9 | Very high | 72 Ų | 72 | 72 Ų | 72 | 74% | 0.742 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -113.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V15 | V15-G17 WeakPolarHBondContact CG1-O 3.37Š|
| 18 | E | 88.2 | Confident | 92.8 | Very high | 192 Ų | 192 | 68.8 Ų | 68.8 | 90% | 0.897 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.5 | 177 | -64 | -175.2 | 170.5 | 0 | 0 | 113.3 | T16 | T16-E18 PolarHBondContact O-N 3.47Š|
| 19 | K | 90.4 | Very high | 92.7 | Very high | 149 Ų | 149 | 69.8 Ų | 69.8 | 65% | 0.648 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.5 | -176.8 | -62.8 | -175.9 | 179.6 | -176.2 | 0 | 111.6 | V15 T16 | V15-K19 CarbonylContact C-O 3.54Å; V15-K19 WeakPolarHBondContact CA-O 3.48Å; T16-K19 PolarHBondContact N-O 2.85Å; T16-K19 PolarHBondContact O-N 3.09Å; T16-K19 VanDerWaalsContact O-N 3.1Å |
| 20 | A | 93.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P2 F6 I14 | P2-A20 HydrophobicContact CB-CB 3.85Å; P2-A20 HydrophobicContact CG-CB 4.33Å; F6-A20 HydrophobicContact CB-CB 3.76Å; F6-A20 HydrophobicContact CD1-CB 3.7Å; F6-A20 HydrophobicContact CE1-CB 4.46Å; F6-A20 HydrophobicContact CG-CB 3.83Å; I14-A20 WeakPolarHBondContact O-CA 3.29Å |
| 21 | E | 94.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.5 | 179.5 | -69 | 174.6 | 176.8 | 0 | 0 | 109 | C13 I14 T16 | C13-E21 WeakPolarHBondContact CA-O 3.42Å; I14-E21 HydrophobicContact CG1-CB 4.21Å; I14-E21 WeakPolarHBondContact CG1-O 3.35Å; I14-E21 PolarHBondContact N-O 3.21Å; I14-E21 PolarHBondContact O-N 3.32Å; T16-E21 WeakPolarHBondContact CB-OE2 3.48Å; T16-E21 PolarHBondContact OG1-OE2 2.99Å |
| 22 | C | 96.9 | Very high | 92.9 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 17% | 0.169 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.3 | 175.8 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | F6 C8 E31 C33 | F6-C22 HydrophobicContact CE1-CB 4.39Å; F6-C22 WeakPolarHBondContact CE1-SG 3.42Å; C8-C22 WeakPolarHBondContact CA-SG 3.48Å; C8-C22 HydrophobicContact CB-CB 3.87Å; C8-C22 WeakPolarHBondContact CB-SG 3.45Å; C8-C22 WeakPolarHBondContact SG-CA 3.09Å; C8-C22 WeakPolarHBondContact SG-CB 3.27Å; C8-C22 CovalentContact SG-SG 2.02Å; C8-C22 PolarHBondContact SG-SG 2.69Å; C22-E31 WeakPolarHBondContact CB-O 3.31Å; C22-E31 PolarHBondContact SG-O 3.27Å; C22-C33 WeakPolarHBondContact CB-SG 3.35Å |
| 23 | I | 96 | Very high | 92.9 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.7 | 159.6 | -58.3 | 178.1 | 0 | 0 | 0 | 107.1 | G11 S12 I14 | G11-I23 CarbonylContact C-O 3.54Å; G11-I23 WeakPolarHBondContact CA-O 3.09Å; S12-I23 PolarHBondContact N-O 3.43Å; S12-I23 PolarHBondContact O-N 2.93Å; I14-I23 HydrophobicContact CD1-CD1 3.97Å; I14-I23 HydrophobicContact CD1-CG1 3.89Å; I14-I23 HydrophobicContact CG1-CD1 4.35Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; I14-I23 HydrophobicContact CG2-CD1 3.7Å; I14-I23 HydrophobicContact CG2-CG1 4.12Å |
| 24 | C | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 28% | 0.284 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 143.4 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | Y28 C33 | C24-Y28 VanDerWaalsContact CB-O 3.27Å; C24-Y28 WeakPolarHBondContact CB-O 3.31Å; C24-C33 WeakPolarHBondContact CA-SG 3.22Å; C24-C33 HydrophobicContact CB-CB 3.7Å; C24-C33 WeakPolarHBondContact CB-SG 3.42Å; C24-C33 PolarHBondContact N-SG 3.4Å; C24-C33 WeakPolarHBondContact SG-CA 3.38Å; C24-C33 WeakPolarHBondContact SG-CB 3.35Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 3.34Å |
| 25 | S | 92.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 72 Ų | 72 | 44% | 0.441 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 160.4 | 167.8 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | N10 G27 Y28 | N10-S25 WeakPolarHBondContact O-CB 3.42Å; N10-S25 PolarHBondContact O-N 3.2Å; N10-S25 PolarHBondContact O-OG 3.38Å; S25-G27 PolarHBondContact O-N 3.35Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.11Å |
| 26 | E | 92.4 | Very high | 92.3 | Very high | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.3 | 178 | -157.2 | -175.3 | 166.7 | 0 | 0 | 110.6 | Y28 L40 | E26-Y28 VanDerWaalsContact C-N 3.29Å; E26-Y28 WeakPolarHBondContact O-CD2 3.39Å; E26-Y28 PolarHBondContact O-N 3.03Å; E26-L40 HydrophobicContact CB-CD1 3.73Å; E26-L40 HydrophobicContact CG-CD1 3.67Å; E26-L40 WeakPolarHBondContact O-CD1 3.26Å |
| 27 | G | 90.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 10 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | S25 L36 T37 | S25-G27 PolarHBondContact O-N 3.35Å; G27-L36 WeakPolarHBondContact O-CD1 3.4Å; G27-T37 PolarHBondContact O-N 3.44Å; G27-T37 PolarHBondContact O-OG1 2.92Å; G27-T37 VanDerWaalsContact O-OG1 3.12Å |
| 28 | Y | 91.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 69.3 Ų | 69.3 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 153.2 | 167.6 | -65 | -87.4 | 0 | 0 | 0 | 111.2 | N10 C24 S25 E26 V35 L36 T69 | N10-Y28 HydrophobicContact CB-CD1 3.77Å; N10-Y28 HydrophobicContact CB-CD2 3.61Å; N10-Y28 HydrophobicContact CB-CE1 4.07Å; N10-Y28 HydrophobicContact CB-CE2 3.91Å; N10-Y28 HydrophobicContact CB-CG 3.51Å; N10-Y28 WeakPolarHBondContact ND2-CD1 3.49Å; N10-Y28 WeakPolarHBondContact ND2-CE1 3.25Å; C24-Y28 VanDerWaalsContact CB-O 3.27Å; C24-Y28 WeakPolarHBondContact CB-O 3.31Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.11Å; E26-Y28 VanDerWaalsContact C-N 3.29Å; E26-Y28 WeakPolarHBondContact O-CD2 3.39Å; E26-Y28 PolarHBondContact O-N 3.03Å; Y28-V35 CarbonylContact C-O 3.43Å; Y28-V35 WeakPolarHBondContact CA-O 3.49Å; Y28-L36 HydrophobicContact CD1-CD1 4.24Å; Y28-L36 HydrophobicContact CE1-CB 4.41Å; Y28-L36 HydrophobicContact CE1-CD1 3.78Å; Y28-L36 HydrophobicContact CE2-CD1 4.48Å; Y28-T69 HydrophobicContact CE1-CG2 4.35Å |
| 29 | S | 93 | Very high | 92.5 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -177.3 | 178 | 76.8 | 0 | 0 | 0 | 0 | 111.4 | C33 D34 V35 T37 | S29-C33 CarbonylContact O-C 3.48Å; S29-C33 VanDerWaalsContact O-CA 3.24Å; S29-C33 WeakPolarHBondContact O-CA 3.49Å; S29-D34 PolarHBondContact O-N 3.45Å; S29-V35 PolarHBondContact N-O 2.9Å; S29-V35 WeakPolarHBondContact O-CB 3.05Å; S29-V35 PolarHBondContact O-N 3.28Å; S29-V35 VanDerWaalsContact O-N 3.07Å; S29-T37 WeakPolarHBondContact OG-CG2 3.4Å |
| 30 | G | 92.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 58 Ų | 58 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 93.9 | 168.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | H32 C33 | G30-H32 PolarHBondContact O-N 3.21Å; G30-C33 PolarHBondContact O-N 3.07Å |
| 31 | E | 93.9 | Very high | 91.7 | Very high | 138 Ų | 138 | 64.5 Ų | 64.5 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.5 | -178.4 | 179.8 | 176 | -174.2 | 0 | 0 | 112.2 | F6 C22 | F6-E31 HydrophobicContact CE2-CG 3.8Å; F6-E31 WeakPolarHBondContact CE2-OE1 3.32Å; F6-E31 HydrophobicContact CZ-CG 3.62Å; F6-E31 WeakPolarHBondContact CZ-O 3.44Å; C22-E31 WeakPolarHBondContact CB-O 3.31Å; C22-E31 PolarHBondContact SG-O 3.27Å |
| 32 | H | 94.6 | Very high | 91 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 8.4 | -177.9 | -56.7 | 102.8 | 0 | 0 | 0 | 113.3 | F6 T7 V9 G30 D34 | F6-H32 AromaticContact CD2-NE2 3.76Å; F6-H32 AromaticContact CE2-CD2 3.66Å; F6-H32 AromaticContact CE2-NE2 3.29Å; F6-H32 VanDerWaalsContact CE2-NE2 3.29Å; F6-H32 WeakPolarHBondContact CE2-NE2 3.47Å; F6-H32 AromaticContact CZ-CD2 3.88Å; F6-H32 AromaticContact CZ-NE2 3.96Å; T7-H32 WeakPolarHBondContact O-CB 3.16Å; T7-H32 PolarHBondContact O-CD2 3.43Å; V9-H32 PolarHBondContact N-O 3.39Å; G30-H32 PolarHBondContact O-N 3.21Å; H32-D34 VanDerWaalsContact C-N 3.26Å; H32-D34 PolarHBondContact O-N 3.48Å |
| 33 | C | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 55.9 | 38.4 | -177.1 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | N10 C22 C24 S29 G30 | N10-C33 HydrophobicContact CB-CB 4.42Å; N10-C33 WeakPolarHBondContact CB-O 3.28Å; N10-C33 PolarHBondContact N-O 3.41Å; N10-C33 PolarHBondContact ND2-O 3.45Å; N10-C33 VanDerWaalsContact ND2-O 3.15Å; C22-C33 WeakPolarHBondContact CB-SG 3.35Å; C24-C33 WeakPolarHBondContact CA-SG 3.22Å; C24-C33 HydrophobicContact CB-CB 3.7Å; C24-C33 WeakPolarHBondContact CB-SG 3.42Å; C24-C33 PolarHBondContact N-SG 3.4Å; C24-C33 WeakPolarHBondContact SG-CA 3.38Å; C24-C33 WeakPolarHBondContact SG-CB 3.35Å; C24-C33 CovalentContact SG-SG 2.04Å; C24-C33 PolarHBondContact SG-SG 3.34Å; S29-C33 CarbonylContact O-C 3.48Å; S29-C33 VanDerWaalsContact O-CA 3.24Å; S29-C33 WeakPolarHBondContact O-CA 3.49Å; G30-C33 PolarHBondContact O-N 3.07Å |
| 34 | D | 90.6 | Very high | 90.5 | Very high | 84 Ų | 84 | 61 Ų | 61 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | trans | -102.5 | -9.5 | -178.6 | 59.7 | -31.6 | 0 | 0 | 0 | 112.9 | V9 S29 H32 | V9-D34 HydrophobicContact CB-CB 4.47Å; V9-D34 HydrophobicContact CG2-CB 4.13Å; S29-D34 PolarHBondContact O-N 3.45Å; H32-D34 VanDerWaalsContact C-N 3.26Å; H32-D34 PolarHBondContact O-N 3.48Å | ||
| 35 | V | 90.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112.9 | 178 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | Y28 S29 T37 | Y28-V35 CarbonylContact C-O 3.43Å; Y28-V35 WeakPolarHBondContact CA-O 3.49Å; S29-V35 PolarHBondContact N-O 2.9Å; S29-V35 WeakPolarHBondContact O-CB 3.05Å; S29-V35 PolarHBondContact O-N 3.28Å; S29-V35 VanDerWaalsContact O-N 3.07Å; V35-T37 HydrophobicContact CG1-CG2 4.41Å |
| 36 | L | 89.9 | Confident | 90.5 | Very high | 23 Ų | 23 | 63.3 Ų | 63.3 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127 | 172.7 | -175.8 | 67.8 | 0 | 0 | 0 | 110.4 | G27 Y28 M38 S43 V57 | G27-L36 WeakPolarHBondContact O-CD1 3.4Å; Y28-L36 HydrophobicContact CD1-CD1 4.24Å; Y28-L36 HydrophobicContact CE1-CB 4.41Å; Y28-L36 HydrophobicContact CE1-CD1 3.78Å; Y28-L36 HydrophobicContact CE2-CD1 4.48Å; L36-M38 WeakPolarHBondContact CD1-O 3.45Å; L36-S43 VanDerWaalsContact CD1-CB 3.49Å; L36-S43 WeakPolarHBondContact CD1-OG 3.3Å; L36-V57 HydrophobicContact CD2-CG1 3.69Å; L36-V57 HydrophobicContact CG-CG1 3.89Å |
| 37 | T | 90.2 | Very high | 90.5 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | trans | -118 | -15.9 | -175.3 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | G27 S29 V35 V57 | G27-T37 PolarHBondContact O-N 3.44Å; G27-T37 PolarHBondContact O-OG1 2.92Å; G27-T37 VanDerWaalsContact O-OG1 3.12Å; S29-T37 WeakPolarHBondContact OG-CG2 3.4Å; V35-T37 HydrophobicContact CG1-CG2 4.41Å; T37-V57 VanDerWaalsContact O-CG2 3.29Å; T37-V57 WeakPolarHBondContact O-CG2 3.47Å | ||
| 38 | M | 90.2 | Very high | 90.7 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -150.5 | 153.8 | 175.4 | 55.3 | 176.1 | 89.8 | 0 | 0 | 110.2 | L36 L40 | L36-M38 WeakPolarHBondContact CD1-O 3.45Å; M38-L40 HydrophobicContact CG-CD1 3.95Å; M38-L40 HydrophobicContact CG-CG 3.92Å; M38-L40 PolarHBondContact O-N 3.22Å; M38-L40 HydrophobicContact SD-CD1 3.8Å; M38-L40 HydrophobicContact SD-CD2 4.07Å; M38-L40 HydrophobicContact SD-CG 3.93Å |
| 39 | C | 90.5 | Very high | 90.8 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 32% | 0.324 | 37% | 0.369 | S | S | . | . | trans | -76.1 | 105.4 | 172.5 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | C50 | C39-C50 WeakPolarHBondContact CA-SG 3.48Å; C39-C50 HydrophobicContact CB-CB 3.71Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 VanDerWaalsContact SG-C 3.53Å; C39-C50 WeakPolarHBondContact SG-CB 3.33Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.28Å | ||
| 40 | L | 86.2 | Confident | 90.9 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | trans | -113.4 | 168.3 | 170.1 | -68.4 | 167.2 | 0 | 0 | 0 | 110.8 | E26 M38 N42 S43 | E26-L40 HydrophobicContact CB-CD1 3.73Å; E26-L40 HydrophobicContact CG-CD1 3.67Å; E26-L40 WeakPolarHBondContact O-CD1 3.26Å; M38-L40 HydrophobicContact CG-CD1 3.95Å; M38-L40 HydrophobicContact CG-CG 3.92Å; M38-L40 PolarHBondContact O-N 3.22Å; M38-L40 HydrophobicContact SD-CD1 3.8Å; M38-L40 HydrophobicContact SD-CD2 4.07Å; M38-L40 HydrophobicContact SD-CG 3.93Å; L40-N42 PolarHBondContact O-N 3.42Å; L40-S43 PolarHBondContact N-OG 3.45Å; L40-S43 VanDerWaalsContact N-OG 3.16Å; L40-S43 WeakPolarHBondContact O-CB 3.28Å; L40-S43 PolarHBondContact O-N 2.99Å; L40-S43 VanDerWaalsContact O-N 3.1Å; L40-S43 PolarHBondContact O-OG 3Å | ||
| 41 | N | 80.9 | Confident | 90.8 | Very high | 156 Ų | 156 | 62.6 Ų | 62.6 | 83% | 0.834 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 124.1 | 178.6 | -154.5 | 46.5 | 0 | 0 | 0 | 109.3 | S43 | N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.34Å |
| 42 | N | 80.7 | Confident | 90.6 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 17.7 | -177.5 | -56.9 | 45.2 | 0 | 0 | 0 | 116.1 | L40 L45 | L40-N42 PolarHBondContact O-N 3.42Å; N42-L45 WeakPolarHBondContact O-CD2 3.43Å |
| 43 | S | 87.2 | Confident | 90 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -63.5 | -41.7 | 171.7 | -70 | 0 | 0 | 0 | 0 | 113 | L36 L40 N41 T69 | L36-S43 VanDerWaalsContact CD1-CB 3.49Å; L36-S43 WeakPolarHBondContact CD1-OG 3.3Å; L40-S43 PolarHBondContact N-OG 3.45Å; L40-S43 VanDerWaalsContact N-OG 3.16Å; L40-S43 WeakPolarHBondContact O-CB 3.28Å; L40-S43 PolarHBondContact O-N 2.99Å; L40-S43 VanDerWaalsContact O-N 3.1Å; L40-S43 PolarHBondContact O-OG 3Å; N41-S43 VanDerWaalsContact C-N 3.34Å; N41-S43 PolarHBondContact O-N 3.34Å; S43-T69 VanDerWaalsContact O-CB 3.32Å; S43-T69 WeakPolarHBondContact O-CB 3.03Å; S43-T69 WeakPolarHBondContact O-CG2 3.39Å |
| 44 | C | 93.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 9% | 0.088 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -95 | 115.9 | 170.8 | -52.4 | 0 | 0 | 0 | 0 | 108.6 | G48 C50 C59 | C44-G48 WeakPolarHBondContact CB-O 3.18Å; C44-C50 WeakPolarHBondContact SG-CA 3.39Å; C44-C50 WeakPolarHBondContact SG-CB 3.28Å; C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.75Å; C44-C59 WeakPolarHBondContact CB-SG 3.48Å; C44-C59 WeakPolarHBondContact SG-CA 3.28Å; C44-C59 WeakPolarHBondContact SG-CB 3.18Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.45Å |
| 45 | L | 92.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | trans | -77.4 | 170.1 | -178.3 | -57 | -178.3 | 0 | 0 | 0 | 111.4 | N42 G47 G48 T69 C70 Q71 | N42-L45 WeakPolarHBondContact O-CD2 3.43Å; L45-G47 PolarHBondContact O-N 3.06Å; L45-G48 PolarHBondContact O-N 3.35Å; L45-T69 VanDerWaalsContact CB-O 3.32Å; L45-T69 WeakPolarHBondContact CB-O 3.19Å; L45-T69 PolarHBondContact N-O 3.12Å; L45-C70 WeakPolarHBondContact O-CB 3Å; L45-Q71 HydrophobicContact CD1-CB 3.74Å | ||
| 46 | N | 94.3 | Very high | 88.9 | Confident | 81 Ų | 81 | 75 Ų | 75 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 26.4 | 172.7 | -60.4 | -49.9 | 0 | 0 | 0 | 115.3 | P62 F65 C70 | N46-P62 WeakPolarHBondContact O-CG 3.31Å; N46-F65 HydrophobicContact CB-CD1 3.55Å; N46-F65 HydrophobicContact CB-CD2 3.98Å; N46-F65 HydrophobicContact CB-CE1 3.54Å; N46-F65 HydrophobicContact CB-CE2 3.98Å; N46-F65 HydrophobicContact CB-CG 3.76Å; N46-F65 HydrophobicContact CB-CZ 3.76Å; N46-F65 VanDerWaalsContact CG-CD1 3.45Å; N46-F65 WeakPolarHBondContact ND2-CD1 3.2Å; N46-F65 WeakPolarHBondContact ND2-CE1 2.99Å; N46-C70 PolarHBondContact ND2-O 3.3Å |
| 47 | G | 92.7 | Very high | 88.9 | Confident | 65 Ų | 65 | 75 Ų | 75 | 67% | 0.67 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 17.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | L45 | L45-G47 PolarHBondContact O-N 3.06Š|
| 48 | G | 95.1 | Very high | 89 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 144 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C44 L45 I60 | C44-G48 WeakPolarHBondContact CB-O 3.18Å; L45-G48 PolarHBondContact O-N 3.35Å; G48-I60 CarbonylContact C-O 3.59Å; G48-I60 VanDerWaalsContact CA-O 3.28Å; G48-I60 WeakPolarHBondContact CA-O 3.48Å |
| 49 | T | 94 | Very high | 89.2 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.6 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | T51 I60 | T49-T51 HydrophobicContact CG2-CG2 4.38Å; T49-I60 PolarHBondContact N-O 2.93Å; T49-I60 PolarHBondContact O-N 3.3Å |
| 50 | C | 93.6 | Very high | 89.4 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.7 | 175.8 | -164.2 | 0 | 0 | 0 | 0 | 110.7 | C39 C44 | C39-C50 WeakPolarHBondContact CA-SG 3.48Å; C39-C50 HydrophobicContact CB-CB 3.71Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 VanDerWaalsContact SG-C 3.53Å; C39-C50 WeakPolarHBondContact SG-CB 3.33Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.28Å; C44-C50 WeakPolarHBondContact SG-CA 3.39Å; C44-C50 WeakPolarHBondContact SG-CB 3.28Å |
| 51 | T | 92.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.2 | 175 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | T49 V57 E58 I60 | T49-T51 HydrophobicContact CG2-CG2 4.38Å; T51-V57 WeakPolarHBondContact O-CA 3.47Å; T51-E58 PolarHBondContact N-O 3.3Å; T51-E58 PolarHBondContact O-N 3.27Å; T51-E58 PolarHBondContact OG1-O 3.41Å; T51-I60 HydrophobicContact CG2-CD1 3.78Å; T51-I60 HydrophobicContact CG2-CG1 4.39Å |
| 52 | E | 88.5 | Confident | 90.5 | Very high | 130 Ų | 130 | 71.4 Ų | 71.4 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.3 | 173.8 | -176.6 | -177.6 | 170.8 | 0 | 0 | 108.4 | V56 V57 | E52-V56 CarbonylContact C-O 3.5Å; E52-V56 WeakPolarHBondContact CA-O 3.43Å; E52-V57 HydrophobicContact CB-CG2 4.3Å; E52-V57 HydrophobicContact CG-CG2 4.04Å |
| 53 | K | 83.5 | Confident | 91.1 | Very high | 165 Ų | 165 | 73.9 Ų | 73.9 | 72% | 0.717 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 118.7 | 178.1 | -174 | 177.5 | 179.5 | -174.2 | 0 | 110 | G55 V56 | K53-G55 PolarHBondContact O-N 3.29Å; K53-V56 PolarHBondContact N-O 3.43Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 PolarHBondContact O-N 3.47Å |
| 54 | M | 86.2 | Confident | 91.3 | Very high | 164 Ų | 164 | 75.1 Ų | 75.1 | 81% | 0.808 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 37.2 | 176.4 | -55.4 | -66.1 | -69.2 | 0 | 0 | 113.1 | V56 | M54-V56 PolarHBondContact O-N 3.06Š|
| 55 | G | 81.2 | Confident | 91.5 | Very high | 63 Ų | 63 | 77.4 Ų | 77.4 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 1.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | K53 | K53-G55 PolarHBondContact O-N 3.29Š|
| 56 | V | 84.4 | Confident | 91.6 | Very high | 97 Ų | 97 | 77.4 Ų | 77.4 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | E52 K53 M54 | E52-V56 CarbonylContact C-O 3.5Å; E52-V56 WeakPolarHBondContact CA-O 3.43Å; K53-V56 PolarHBondContact N-O 3.43Å; K53-V56 WeakPolarHBondContact O-CB 3.41Å; K53-V56 PolarHBondContact O-N 3.47Å; M54-V56 PolarHBondContact O-N 3.06Å |
| 57 | V | 90.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.3 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L36 T37 T51 E52 | L36-V57 HydrophobicContact CD2-CG1 3.69Å; L36-V57 HydrophobicContact CG-CG1 3.89Å; T37-V57 VanDerWaalsContact O-CG2 3.29Å; T37-V57 WeakPolarHBondContact O-CG2 3.47Å; T51-V57 WeakPolarHBondContact O-CA 3.47Å; E52-V57 HydrophobicContact CB-CG2 4.3Å; E52-V57 HydrophobicContact CG-CG2 4.04Å |
| 58 | E | 91.6 | Very high | 91.3 | Very high | 128 Ų | 128 | 75.8 Ų | 75.8 | 60% | 0.598 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.9 | -177.4 | -173 | 175.2 | -164.9 | 0 | 0 | 110.5 | T51 | T51-E58 PolarHBondContact N-O 3.3Å; T51-E58 PolarHBondContact O-N 3.27Å; T51-E58 PolarHBondContact OG1-O 3.41Å |
| 59 | C | 94.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 75.8 Ų | 75.8 | 9% | 0.088 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.5 | 171.4 | -70.3 | 0 | 0 | 0 | 0 | 110.7 | C44 P68 | C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.75Å; C44-C59 WeakPolarHBondContact CB-SG 3.48Å; C44-C59 WeakPolarHBondContact SG-CA 3.28Å; C44-C59 WeakPolarHBondContact SG-CB 3.18Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.45Å; C59-P68 VanDerWaalsContact CB-O 3.31Å; C59-P68 WeakPolarHBondContact CB-O 3.33Å; C59-P68 PolarHBondContact SG-O 3.48Å; C59-P68 VanDerWaalsContact SG-O 3.35Å |
| 60 | I | 95.4 | Very high | 91.2 | Very high | 94 Ų | 94 | 71.8 Ų | 71.8 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.2 | 170 | -56.2 | 174.2 | 0 | 0 | 0 | 108.1 | G48 T49 T51 | G48-I60 CarbonylContact C-O 3.59Å; G48-I60 VanDerWaalsContact CA-O 3.28Å; G48-I60 WeakPolarHBondContact CA-O 3.48Å; T49-I60 PolarHBondContact N-O 2.93Å; T49-I60 PolarHBondContact O-N 3.3Å; T51-I60 HydrophobicContact CG2-CD1 3.78Å; T51-I60 HydrophobicContact CG2-CG1 4.39Å |
| 61 | C | 95.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 73.3 Ų | 73.3 | 27% | 0.27 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 138.2 | -175.6 | -55 | 0 | 0 | 0 | 0 | 112.8 | F65 C70 | C61-F65 HydrophobicContact CB-CB 4.38Å; C61-F65 WeakPolarHBondContact CB-O 3.24Å; C61-C70 WeakPolarHBondContact CA-SG 3.36Å; C61-C70 HydrophobicContact CB-CB 3.71Å; C61-C70 WeakPolarHBondContact CB-SG 3.47Å; C61-C70 WeakPolarHBondContact SG-CA 3Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.03Å; C61-C70 PolarHBondContact SG-SG 3.34Å |
| 62 | P | 94.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 161.2 | 170.3 | 26 | -27.4 | 0 | 0 | 0 | 110.6 | N46 G64 F65 | N46-P62 WeakPolarHBondContact O-CG 3.31Å; P62-G64 PolarHBondContact O-N 3.21Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 PolarHBondContact O-N 2.89Å; P62-F65 VanDerWaalsContact O-N 3.11Å |
| 63 | N | 92.2 | Very high | 91.4 | Very high | 169 Ų | 169 | 74.7 Ų | 74.7 | 90% | 0.904 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.8 | 178.1 | -76.9 | -36.6 | 0 | 0 | 0 | 111.3 | ||
| 64 | G | 92.7 | Very high | 91.7 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -0.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P62 I73 V74 | P62-G64 PolarHBondContact O-N 3.21Å; G64-I73 CarbonylContact O-C 3.58Å; G64-I73 WeakPolarHBondContact O-CA 3Å; G64-V74 PolarHBondContact O-N 2.9Å |
| 65 | F | 95.5 | Very high | 91.4 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 26% | 0.263 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.1 | 176.7 | -61.1 | -86.2 | 0 | 0 | 0 | 112.7 | N46 C61 P62 C70 D72 I73 | N46-F65 HydrophobicContact CB-CD1 3.55Å; N46-F65 HydrophobicContact CB-CD2 3.98Å; N46-F65 HydrophobicContact CB-CE1 3.54Å; N46-F65 HydrophobicContact CB-CE2 3.98Å; N46-F65 HydrophobicContact CB-CG 3.76Å; N46-F65 HydrophobicContact CB-CZ 3.76Å; N46-F65 VanDerWaalsContact CG-CD1 3.45Å; N46-F65 WeakPolarHBondContact ND2-CD1 3.2Å; N46-F65 WeakPolarHBondContact ND2-CE1 2.99Å; C61-F65 HydrophobicContact CB-CB 4.38Å; C61-F65 WeakPolarHBondContact CB-O 3.24Å; P62-F65 HydrophobicContact CG-CD2 3.92Å; P62-F65 PolarHBondContact O-N 2.89Å; P62-F65 VanDerWaalsContact O-N 3.11Å; F65-C70 HydrophobicContact CB-CB 4.33Å; F65-D72 CarbonylContact C-O 3.22Å; F65-D72 WeakPolarHBondContact CA-O 3.36Å; F65-I73 HydrophobicContact CD1-CG1 4Å; F65-I73 HydrophobicContact CE1-CD1 4.46Å; F65-I73 HydrophobicContact CE1-CG1 3.71Å |
| 66 | T | 94.9 | Very high | 90.8 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 177.3 | -179.2 | -167 | 0 | 0 | 0 | 0 | 111.6 | C70 Q71 D72 V74 | T66-C70 CarbonylContact O-C 3.49Å; T66-C70 VanDerWaalsContact O-C 3.22Å; T66-C70 WeakPolarHBondContact O-CA 3.46Å; T66-Q71 PolarHBondContact O-N 2.94Å; T66-D72 HydrophobicContact CG2-CB 3.75Å; T66-D72 PolarHBondContact N-O 3.29Å; T66-D72 PolarHBondContact O-N 3.32Å; T66-V74 HydrophobicContact CG2-CG2 3.82Å |
| 67 | G | 91.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 96.6 | 165.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T69 C70 | G67-T69 PolarHBondContact O-N 3.36Å; G67-T69 VanDerWaalsContact O-N 3.1Å; G67-C70 PolarHBondContact O-N 2.9Å |
| 68 | P | 89.3 | Confident | 88.2 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.1 | -175.4 | 23.1 | -35.8 | 0 | 0 | 0 | 113.8 | C59 | C59-P68 VanDerWaalsContact CB-O 3.31Å; C59-P68 WeakPolarHBondContact CB-O 3.33Å; C59-P68 PolarHBondContact SG-O 3.48Å; C59-P68 VanDerWaalsContact SG-O 3.35Å |
| 69 | T | 91.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 9% | 0.092 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 17.6 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | Y28 S43 L45 G67 Q71 | Y28-T69 HydrophobicContact CE1-CG2 4.35Å; S43-T69 VanDerWaalsContact O-CB 3.32Å; S43-T69 WeakPolarHBondContact O-CB 3.03Å; S43-T69 WeakPolarHBondContact O-CG2 3.39Å; L45-T69 VanDerWaalsContact CB-O 3.32Å; L45-T69 WeakPolarHBondContact CB-O 3.19Å; L45-T69 PolarHBondContact N-O 3.12Å; G67-T69 PolarHBondContact O-N 3.36Å; G67-T69 VanDerWaalsContact O-N 3.1Å; T69-Q71 VanDerWaalsContact N-OE1 3.09Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact OG1-OE1 3.46Å |
| 70 | C | 94.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 58.2 | 29.3 | -177.2 | -47.9 | 0 | 0 | 0 | 0 | 114.3 | L45 N46 C61 F65 T66 G67 | L45-C70 WeakPolarHBondContact O-CB 3Å; N46-C70 PolarHBondContact ND2-O 3.3Å; C61-C70 WeakPolarHBondContact CA-SG 3.36Å; C61-C70 HydrophobicContact CB-CB 3.71Å; C61-C70 WeakPolarHBondContact CB-SG 3.47Å; C61-C70 WeakPolarHBondContact SG-CA 3Å; C61-C70 WeakPolarHBondContact SG-CB 3.06Å; C61-C70 CovalentContact SG-SG 2.03Å; C61-C70 PolarHBondContact SG-SG 3.34Å; F65-C70 HydrophobicContact CB-CB 4.33Å; T66-C70 CarbonylContact O-C 3.49Å; T66-C70 VanDerWaalsContact O-C 3.22Å; T66-C70 WeakPolarHBondContact O-CA 3.46Å; G67-C70 PolarHBondContact O-N 2.9Å |
| 71 | Q | 92.4 | Very high | 82.6 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 32% | 0.318 | 46% | 0.464 | S | S | . | . | trans | -78.1 | -25.6 | -175.1 | 73.7 | -76.9 | -7 | 0 | 0 | 113.7 | L45 T66 T69 | L45-Q71 HydrophobicContact CD1-CB 3.74Å; T66-Q71 PolarHBondContact O-N 2.94Å; T69-Q71 VanDerWaalsContact N-OE1 3.09Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact OG1-OE1 3.46Å | ||
| 72 | D | 93.8 | Very high | 80.6 | Confident | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 141.3 | -172.5 | -61.8 | -49.7 | 0 | 0 | 0 | 110.8 | F65 T66 | F65-D72 CarbonylContact C-O 3.22Å; F65-D72 WeakPolarHBondContact CA-O 3.36Å; T66-D72 HydrophobicContact CG2-CB 3.75Å; T66-D72 PolarHBondContact N-O 3.29Å; T66-D72 PolarHBondContact O-N 3.32Å |
| 73 | I | 93.3 | Very high | 78.4 | Confident | 127 Ų | 127 | 86.3 Ų | 86.3 | 65% | 0.651 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130 | 176.6 | -61.6 | 170.1 | 0 | 0 | 0 | 109.6 | G64 F65 S75 | G64-I73 CarbonylContact O-C 3.58Å; G64-I73 WeakPolarHBondContact O-CA 3Å; F65-I73 HydrophobicContact CD1-CG1 4Å; F65-I73 HydrophobicContact CE1-CD1 4.46Å; F65-I73 HydrophobicContact CE1-CG1 3.71Å; I73-S75 PolarHBondContact O-N 2.88Å; I73-S75 VanDerWaalsContact O-N 3.09Å |
| 74 | V | 89.7 | Confident | 76.7 | Confident | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.297 | 47% | 0.473 | S | S | . | . | trans | -79.3 | 89.5 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | G64 T66 A76 Q77 | G64-V74 PolarHBondContact O-N 2.9Å; T66-V74 HydrophobicContact CG2-CG2 3.82Å; V74-A76 HydrophobicContact CG1-CB 4.42Å; V74-A76 PolarHBondContact O-N 3.5Å; V74-Q77 HydrophobicContact CG1-CG 4.15Å | ||
| 75 | S | 80.2 | Confident | 74.7 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -70.2 | -17 | 179 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | I73 Q77 L78 | I73-S75 PolarHBondContact O-N 2.88Å; I73-S75 VanDerWaalsContact O-N 3.09Å; S75-Q77 PolarHBondContact O-N 2.94Å; S75-L78 PolarHBondContact O-N 2.92Å |
| 76 | A | 69.1 | Low | 72.9 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -67.4 | -17.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V74 S79 | V74-A76 HydrophobicContact CG1-CB 4.42Å; V74-A76 PolarHBondContact O-N 3.5Å; A76-S79 PolarHBondContact O-OG 2.89Å |
| 77 | Q | 60 | Low | 71.3 | Confident | 144 Ų | 144 | 91.3 Ų | 91.3 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -86.2 | -4.3 | -176.8 | -60 | -61 | -60.6 | 0 | 0 | 113.6 | V74 S75 | V74-Q77 HydrophobicContact CG1-CG 4.15Å; S75-Q77 PolarHBondContact O-N 2.94Å |
| 78 | L | 58.9 | Low | 70.2 | Confident | 163 Ų | 163 | 96.5 Ų | 96.5 | 85% | 0.853 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -94.4 | -2.4 | -178.7 | -128.1 | 83.9 | 0 | 0 | 0 | 114.8 | S75 | S75-L78 PolarHBondContact O-N 2.92Š|
| 79 | S | 55.3 | Low | 69.4 | Low | 84 Ų | 84 | 96.3 Ų | 96.3 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -100.2 | 6.5 | -173 | 47.1 | 0 | 0 | 0 | 0 | 115.9 | A76 | A76-S79 PolarHBondContact O-OG 2.89Š|
| 80 | Q | 55.4 | Low | 68.6 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -130.5 | -1.2 | -177.2 | -74.6 | -178.1 | -67.7 | 0 | 0 | 116.6 | E84 | Q80-E84 PolarHBondContact NE2-OE2 2.84Š|
| 81 | D | 52.5 | Low | 67.9 | Low | 158 Ų | 158 | 102.2 Ų | 102.2 | 85% | 0.845 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -5.3 | 172.6 | -79.7 | -21.2 | 0 | 0 | 0 | 113.8 | D83 | D81-D83 PolarHBondContact O-N 2.98Š|
| 82 | T | 54.2 | Low | 67.7 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 69% | 0.693 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 75.8 | 152.9 | 56.2 | 0 | 0 | 0 | 0 | 107.2 | E84 | T82-E84 PolarHBondContact O-N 3.45Š|
| 83 | D | 49.5 | Very low | 67.5 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 52.1 | 67.9 | 142.2 | -144.3 | 2.1 | 0 | 0 | 0 | 109.9 | D81 Q85 T86 D87 | D81-D83 PolarHBondContact O-N 2.98Å; D83-Q85 CarbonylContact O-C 3.59Å; D83-Q85 PolarHBondContact O-N 3.08Å; D83-T86 WeakPolarHBondContact O-CA 3.47Å; D83-T86 WeakPolarHBondContact O-CB 3.47Å; D83-T86 PolarHBondContact O-N 3.01Å; D83-T86 PolarHBondContact OD1-OG1 3.41Å; D83-T86 WeakPolarHBondContact OD2-CB 3.47Å; D83-T86 PolarHBondContact OD2-OG1 2.72Å; D83-D87 PolarHBondContact O-N 2.9Å |
| 84 | E | 56.7 | Low | 67.3 | Low | 99 Ų | 99 | 101 Ų | 101 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.5 | -13.9 | 176.5 | -179 | 162.5 | 135.9 | 0 | 0 | 111.9 | Q80 T82 K88 | Q80-E84 PolarHBondContact NE2-OE2 2.84Å; T82-E84 PolarHBondContact O-N 3.45Å; E84-K88 IonicContact OE1-NZ 3.52Å |
| 85 | Q | 49.6 | Very low | 67.4 | Low | 153 Ų | 153 | 101.9 Ų | 101.9 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -35.6 | 165.8 | -163.6 | 94.1 | 5.3 | 0 | 0 | 112.6 | D83 T89 | D83-Q85 CarbonylContact O-C 3.59Å; D83-Q85 PolarHBondContact O-N 3.08Å; Q85-T89 WeakPolarHBondContact O-CB 3.32Å; Q85-T89 PolarHBondContact O-N 3.39Å; Q85-T89 PolarHBondContact O-OG1 3.39Å |
| 86 | T | 57.5 | Low | 68.1 | Low | 67 Ų | 67 | 100.9 Ų | 100.9 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -86.3 | -29.8 | -173.3 | -57.1 | 0 | 0 | 0 | 0 | 113 | D83 T89 L90 | D83-T86 WeakPolarHBondContact O-CA 3.47Å; D83-T86 WeakPolarHBondContact O-CB 3.47Å; D83-T86 PolarHBondContact O-N 3.01Å; D83-T86 PolarHBondContact OD1-OG1 3.41Å; D83-T86 WeakPolarHBondContact OD2-CB 3.47Å; D83-T86 PolarHBondContact OD2-OG1 2.72Å; T86-T89 PolarHBondContact O-N 2.89Å; T86-L90 VanDerWaalsContact O-CB 3.26Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 PolarHBondContact O-N 3.21Å |
| 87 | D | 61.1 | Low | 69.4 | Low | 115 Ų | 115 | 101.9 Ų | 101.9 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -46.9 | 175.5 | -173.9 | 21.9 | 0 | 0 | 0 | 112 | D83 T89 L90 G91 | D83-D87 PolarHBondContact O-N 2.9Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact O-N 2.95Å; D87-G91 PolarHBondContact O-N 3.19Å |
| 88 | K | 68.8 | Low | 71.1 | Confident | 132 Ų | 132 | 100 Ų | 100 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.4 | -40 | 174.6 | -69 | 173.6 | -176 | 148.6 | 0 | 111 | E84 I92 | E84-K88 IonicContact OE1-NZ 3.52Å; K88-I92 WeakPolarHBondContact O-CB 3.36Å; K88-I92 VanDerWaalsContact O-CD1 3.31Å; K88-I92 WeakPolarHBondContact O-CD1 3.42Å; K88-I92 WeakPolarHBondContact O-CG1 3.32Å; K88-I92 PolarHBondContact O-N 3.5Å; K88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | T | 72.7 | Confident | 73 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | Q85 T86 D87 I92 A93 | Q85-T89 WeakPolarHBondContact O-CB 3.32Å; Q85-T89 PolarHBondContact O-N 3.39Å; Q85-T89 PolarHBondContact O-OG1 3.39Å; T86-T89 PolarHBondContact O-N 2.89Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 3.36Å; T89-I92 PolarHBondContact O-N 3.04Å; T89-A93 VanDerWaalsContact O-CB 3.25Å; T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 3.03Å |
| 90 | L | 75.8 | Confident | 75 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 178.4 | -175.3 | 63.9 | 0 | 0 | 0 | 111.3 | T86 D87 I92 A93 L94 | T86-L90 VanDerWaalsContact O-CB 3.26Å; T86-L90 WeakPolarHBondContact O-CB 3.42Å; T86-L90 PolarHBondContact O-N 3.21Å; D87-L90 PolarHBondContact O-N 2.95Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.48Å; L90-A93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.01Å; L90-L94 PolarHBondContact O-N 3.08Å |
| 91 | G | 80.1 | Confident | 77.1 | Confident | 42 Ų | 42 | 97.5 Ų | 97.5 | 43% | 0.433 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.2 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D87 S95 | D87-G91 PolarHBondContact O-N 3.19Å; G91-S95 VanDerWaalsContact O-CB 3.28Å; G91-S95 WeakPolarHBondContact O-CB 3.49Å; G91-S95 PolarHBondContact O-N 3.27Å |
| 92 | I | 86.6 | Confident | 79.2 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 175.2 | -65.8 | 164.8 | 0 | 0 | 0 | 111.1 | K88 T89 L90 L94 S95 T96 | K88-I92 WeakPolarHBondContact O-CB 3.36Å; K88-I92 VanDerWaalsContact O-CD1 3.31Å; K88-I92 WeakPolarHBondContact O-CD1 3.42Å; K88-I92 WeakPolarHBondContact O-CG1 3.32Å; K88-I92 PolarHBondContact O-N 3.5Å; K88-I92 VanDerWaalsContact O-N 3.08Å; T89-I92 PolarHBondContact O-N 3.04Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.48Å; I92-L94 PolarHBondContact O-N 2.96Å; I92-S95 PolarHBondContact O-N 2.58Å; I92-T96 HydrophobicContact CG2-CG2 4.3Å; I92-T96 WeakPolarHBondContact O-CB 3.35Å; I92-T96 WeakPolarHBondContact O-CG2 3.36Å; I92-T96 PolarHBondContact O-N 2.65Å; I92-T96 PolarHBondContact O-OG1 3.18Å |
| 93 | A | 89.8 | Confident | 81.4 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | T89 L90 T96 C97 | T89-A93 VanDerWaalsContact O-CB 3.25Å; T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 3.03Å; L90-A93 PolarHBondContact O-N 3.29Å; A93-T96 WeakPolarHBondContact CA-OG1 3.38Å; A93-T96 PolarHBondContact O-OG1 3.33Å; A93-C97 VanDerWaalsContact O-CB 3.28Å; A93-C97 WeakPolarHBondContact O-CB 3.47Å; A93-C97 PolarHBondContact O-N 3.42Å; A93-C97 PolarHBondContact O-SG 2.95Å |
| 94 | L | 89 | Confident | 83.7 | Confident | 102 Ų | 102 | 91.8 Ų | 91.8 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.5 | -67.7 | 176.7 | 0 | 0 | 0 | 111.4 | L90 I92 C97 L98 | L90-L94 HydrophobicContact CD1-CD1 4.4Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.13Å; L90-L94 HydrophobicContact CG-CG 4.4Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 VanDerWaalsContact O-CG 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.01Å; L90-L94 PolarHBondContact O-N 3.08Å; I92-L94 PolarHBondContact O-N 2.96Å; L94-C97 PolarHBondContact O-N 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.98Å |
| 95 | S | 92.3 | Very high | 85.7 | Confident | 69 Ų | 69 | 90.5 Ų | 90.5 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 112 | G91 I92 L98 V99 | G91-S95 VanDerWaalsContact O-CB 3.28Å; G91-S95 WeakPolarHBondContact O-CB 3.49Å; G91-S95 PolarHBondContact O-N 3.27Å; I92-S95 PolarHBondContact O-N 2.58Å; S95-L98 PolarHBondContact O-N 3.37Å; S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 3.24Å; S95-V99 VanDerWaalsContact O-N 3.08Å |
| 96 | T | 94.6 | Very high | 88 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | I92 A93 L98 V99 I100 | I92-T96 HydrophobicContact CG2-CG2 4.3Å; I92-T96 WeakPolarHBondContact O-CB 3.35Å; I92-T96 WeakPolarHBondContact O-CG2 3.36Å; I92-T96 PolarHBondContact O-N 2.65Å; I92-T96 PolarHBondContact O-OG1 3.18Å; A93-T96 WeakPolarHBondContact CA-OG1 3.38Å; A93-T96 PolarHBondContact O-OG1 3.33Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.41Å; T96-V99 PolarHBondContact O-N 2.97Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.04Å; T96-I100 PolarHBondContact O-N 2.77Å |
| 97 | C | 96.2 | Very high | 90 | Very high | 80 Ų | 80 | 88.3 Ų | 88.3 | 54% | 0.541 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 173.7 | -79.4 | 0 | 0 | 0 | 0 | 112.3 | A93 L94 I100 F101 | A93-C97 VanDerWaalsContact O-CB 3.28Å; A93-C97 WeakPolarHBondContact O-CB 3.47Å; A93-C97 PolarHBondContact O-N 3.42Å; A93-C97 PolarHBondContact O-SG 2.95Å; L94-C97 PolarHBondContact O-N 3.3Å; C97-I100 PolarHBondContact O-N 3.31Å; C97-F101 WeakPolarHBondContact O-CB 3.24Å; C97-F101 PolarHBondContact O-N 2.88Å |
| 98 | L | 97.1 | Very high | 91.8 | Very high | 104 Ų | 104 | 87.6 Ų | 87.6 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.2 | -70.2 | 177.8 | 0 | 0 | 0 | 111.8 | L94 S95 T96 I100 F101 F102 | L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 2.98Å; S95-L98 PolarHBondContact O-N 3.37Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.41Å; L98-I100 PolarHBondContact O-N 3.43Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.85Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.43Å |
| 99 | V | 98.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 85.3 Ų | 85.3 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | S95 T96 F101 F102 C103 | S95-V99 WeakPolarHBondContact O-CG2 3.21Å; S95-V99 PolarHBondContact O-N 3.24Å; S95-V99 VanDerWaalsContact O-N 3.08Å; T96-V99 PolarHBondContact O-N 2.97Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.18Å; V99-F102 PolarHBondContact O-N 2.85Å; V99-C103 WeakPolarHBondContact O-CB 3.11Å; V99-C103 PolarHBondContact O-N 2.85Å; V99-C103 PolarHBondContact O-SG 3.24Å |
| 100 | I | 97.9 | Very high | 94.4 | Very high | 117 Ų | 117 | 87.1 Ų | 87.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 178.2 | -68.2 | 166.8 | 0 | 0 | 0 | 110.8 | T96 C97 L98 C103 A104 | T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.04Å; T96-I100 PolarHBondContact O-N 2.77Å; C97-I100 PolarHBondContact O-N 3.31Å; L98-I100 PolarHBondContact O-N 3.43Å; I100-C103 PolarHBondContact O-N 3.2Å; I100-A104 WeakPolarHBondContact O-CB 3.27Å; I100-A104 PolarHBondContact O-N 3.41Å |
| 101 | F | 98.2 | Very high | 95.4 | Very high | 116 Ų | 116 | 85 Ų | 85 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 177 | 178.2 | -101.3 | 0 | 0 | 0 | 112 | C97 L98 V99 C103 A104 L105 | C97-F101 WeakPolarHBondContact O-CB 3.24Å; C97-F101 PolarHBondContact O-N 2.88Å; L98-F101 WeakPolarHBondContact O-CB 3.43Å; L98-F101 PolarHBondContact O-N 2.85Å; V99-F101 VanDerWaalsContact C-N 3.32Å; V99-F101 PolarHBondContact O-N 3.18Å; F101-C103 PolarHBondContact O-N 3.35Å; F101-A104 PolarHBondContact O-N 3.06Å; F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.4Å; F101-L105 HydrophobicContact CE1-CD1 3.36Å; F101-L105 HydrophobicContact CE1-CG 4.09Å; F101-L105 HydrophobicContact CE2-CD1 4.49Å; F101-L105 HydrophobicContact CE2-CG 4.49Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 3Å |
| 102 | F | 98.5 | Very high | 96.2 | Very high | 134 Ų | 134 | 92.1 Ų | 92.1 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 177.7 | -73.8 | -63.2 | 0 | 0 | 0 | 112.7 | L98 V99 L105 A106 | L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.43Å; V99-F102 PolarHBondContact O-N 2.85Å; F102-L105 PolarHBondContact O-N 3.16Å; F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.31Å |
| 103 | C | 98.7 | Very high | 96.7 | Very high | 67 Ų | 67 | 93.1 Ų | 93.1 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 172.7 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | V99 I100 F101 L105 A106 I107 | V99-C103 WeakPolarHBondContact O-CB 3.11Å; V99-C103 PolarHBondContact O-N 2.85Å; V99-C103 PolarHBondContact O-SG 3.24Å; I100-C103 PolarHBondContact O-N 3.2Å; F101-C103 PolarHBondContact O-N 3.35Å; C103-L105 PolarHBondContact O-N 3.41Å; C103-A106 PolarHBondContact O-N 3.07Å; C103-I107 WeakPolarHBondContact O-CB 3.4Å; C103-I107 WeakPolarHBondContact O-CD1 2.99Å; C103-I107 WeakPolarHBondContact O-CG1 3.03Å; C103-I107 PolarHBondContact O-N 2.79Å |
| 104 | A | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 94.8 Ų | 94.8 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I100 F101 A106 I107 L108 | I100-A104 WeakPolarHBondContact O-CB 3.27Å; I100-A104 PolarHBondContact O-N 3.41Å; F101-A104 PolarHBondContact O-N 3.06Å; A104-A106 PolarHBondContact O-N 3.4Å; A104-I107 PolarHBondContact O-N 2.91Å; A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 WeakPolarHBondContact O-CG 3.15Å; A104-L108 PolarHBondContact O-N 2.92Å |
| 105 | L | 98.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 96.6 Ų | 96.6 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.1 | -67.9 | -173.7 | 0 | 0 | 0 | 112.4 | F101 F102 C103 L108 T109 | F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.4Å; F101-L105 HydrophobicContact CE1-CD1 3.36Å; F101-L105 HydrophobicContact CE1-CG 4.09Å; F101-L105 HydrophobicContact CE2-CD1 4.49Å; F101-L105 HydrophobicContact CE2-CG 4.49Å; F101-L105 HydrophobicContact CZ-CD1 3.68Å; F101-L105 HydrophobicContact CZ-CD2 4.31Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 3Å; F102-L105 PolarHBondContact O-N 3.16Å; C103-L105 PolarHBondContact O-N 3.41Å; L105-L108 PolarHBondContact O-N 3.35Å; L105-T109 WeakPolarHBondContact O-CB 3.09Å; L105-T109 VanDerWaalsContact O-CG2 3.31Å; L105-T109 WeakPolarHBondContact O-CG2 3.38Å; L105-T109 PolarHBondContact O-N 3.28Å; L105-T109 PolarHBondContact O-OG1 2.79Å |
| 106 | A | 98.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F102 C103 A104 T109 F110 | F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.31Å; C103-A106 PolarHBondContact O-N 3.07Å; A104-A106 PolarHBondContact O-N 3.4Å; A106-T109 WeakPolarHBondContact CA-OG1 3.3Å; A106-T109 PolarHBondContact O-OG1 2.77Å; A106-F110 VanDerWaalsContact O-CB 3.29Å; A106-F110 WeakPolarHBondContact O-CB 3.49Å; A106-F110 PolarHBondContact O-N 3.09Å |
| 107 | I | 98.5 | Very high | 97 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 176.4 | -67.6 | 163.1 | 0 | 0 | 0 | 110.7 | C103 A104 F110 A111 | C103-I107 WeakPolarHBondContact O-CB 3.4Å; C103-I107 WeakPolarHBondContact O-CD1 2.99Å; C103-I107 WeakPolarHBondContact O-CG1 3.03Å; C103-I107 PolarHBondContact O-N 2.79Å; A104-I107 PolarHBondContact O-N 2.91Å; I107-F110 PolarHBondContact O-N 3.1Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.97Å |
| 108 | L | 98.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 179.5 | -72.7 | 172.7 | 0 | 0 | 0 | 112.4 | A104 L105 A111 R112 | A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 WeakPolarHBondContact O-CG 3.15Å; A104-L108 PolarHBondContact O-N 2.92Å; L105-L108 PolarHBondContact O-N 3.35Å; L108-A111 PolarHBondContact O-N 3.05Å; L108-R112 WeakPolarHBondContact O-CG 3.38Å; L108-R112 PolarHBondContact O-N 3.12Å |
| 109 | T | 98.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 107.3 Ų | 107.3 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | L105 A106 R112 Y113 | L105-T109 WeakPolarHBondContact O-CB 3.09Å; L105-T109 VanDerWaalsContact O-CG2 3.31Å; L105-T109 WeakPolarHBondContact O-CG2 3.38Å; L105-T109 PolarHBondContact O-N 3.28Å; L105-T109 PolarHBondContact O-OG1 2.79Å; A106-T109 WeakPolarHBondContact CA-OG1 3.3Å; A106-T109 PolarHBondContact O-OG1 2.77Å; T109-R112 PolarHBondContact O-N 3.26Å; T109-Y113 PolarHBondContact O-N 3.11Å |
| 110 | F | 98.2 | Very high | 95 | Very high | 124 Ų | 124 | 106 Ų | 106 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.7 | -172.4 | -109.8 | 0 | 0 | 0 | 112.4 | A106 I107 R112 Y113 L114 | A106-F110 VanDerWaalsContact O-CB 3.29Å; A106-F110 WeakPolarHBondContact O-CB 3.49Å; A106-F110 PolarHBondContact O-N 3.09Å; I107-F110 PolarHBondContact O-N 3.1Å; F110-R112 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 3.14Å; F110-Y113 HydrophobicContact CD2-CD1 4.42Å; F110-Y113 HydrophobicContact CE2-CD1 4.36Å; F110-Y113 WeakPolarHBondContact O-CB 3.49Å; F110-Y113 PolarHBondContact O-N 3.3Å; F110-L114 HydrophobicContact CD1-CD1 3.93Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.51Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD1 4.09Å; F110-L114 HydrophobicContact CZ-CD2 4.09Å; F110-L114 HydrophobicContact CZ-CG 4.14Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.02Å |
| 111 | A | 97.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 107.7 Ų | 107.7 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I107 L108 L114 K115 | I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 2.97Å; L108-A111 PolarHBondContact O-N 3.05Å; A111-L114 PolarHBondContact O-N 3.17Å; A111-K115 PolarHBondContact O-N 3.26Å |
| 112 | R | 97.4 | Very high | 92.2 | Very high | 191 Ų | 191 | 109.2 Ų | 109.2 | 72% | 0.721 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 173.9 | -72.6 | 177.2 | -178.7 | 178.2 | 1.4 | 111.6 | L108 T109 F110 K115 H116 | L108-R112 WeakPolarHBondContact O-CG 3.38Å; L108-R112 PolarHBondContact O-N 3.12Å; T109-R112 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact C-N 3.35Å; F110-R112 PolarHBondContact O-N 3.14Å; R112-K115 PolarHBondContact O-N 2.86Å; R112-H116 PolarHBondContact O-N 3.45Å; R112-H116 VanDerWaalsContact O-N 3.12Å |
| 113 | Y | 96.1 | Very high | 90.6 | Very high | 131 Ų | 131 | 112 Ų | 112 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 175.2 | 169.3 | -95.8 | 0 | 0 | 0 | 112.3 | T109 F110 K115 H116 K117 | T109-Y113 PolarHBondContact O-N 3.11Å; F110-Y113 HydrophobicContact CD2-CD1 4.42Å; F110-Y113 HydrophobicContact CE2-CD1 4.36Å; F110-Y113 WeakPolarHBondContact O-CB 3.49Å; F110-Y113 PolarHBondContact O-N 3.3Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 2.89Å; Y113-H116 PolarHBondContact O-N 3.26Å; Y113-K117 HydrophobicContact CE1-CD 4.38Å; Y113-K117 PolarHBondContact O-N 3.36Å |
| 114 | L | 95.7 | Very high | 88.6 | Confident | 76 Ų | 76 | 113 Ų | 113 | 40% | 0.398 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -39.1 | 178.5 | -71.3 | -178.1 | 0 | 0 | 0 | 112.6 | F110 A111 H116 K117 R118 | F110-L114 HydrophobicContact CD1-CD1 3.93Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.51Å; F110-L114 HydrophobicContact CE1-CD2 4.36Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CZ-CD1 4.09Å; F110-L114 HydrophobicContact CZ-CD2 4.09Å; F110-L114 HydrophobicContact CZ-CG 4.14Å; F110-L114 WeakPolarHBondContact O-CG 3.34Å; F110-L114 PolarHBondContact O-N 3.02Å; A111-L114 PolarHBondContact O-N 3.17Å; L114-H116 VanDerWaalsContact C-N 3.34Å; L114-K117 PolarHBondContact O-N 3.03Å; L114-R118 PolarHBondContact O-N 2.83Å |
| 115 | K | 94.9 | Very high | 86.6 | Confident | 140 Ų | 140 | 115.2 Ų | 115.2 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60 | -46.3 | 176 | -170 | 177.5 | 178.4 | -177.5 | 0 | 110.9 | A111 R112 Y113 K117 R118 E119 | A111-K115 PolarHBondContact O-N 3.26Å; R112-K115 PolarHBondContact O-N 2.86Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 2.89Å; K115-K117 PolarHBondContact O-N 2.83Å; K115-R118 PolarHBondContact O-N 2.91Å; K115-E119 PolarHBondContact O-N 2.77Å |
| 116 | H | 89.6 | Confident | 84.5 | Confident | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.6 | -39 | 178.1 | -170.6 | -91.5 | 0 | 0 | 0 | 113 | R112 Y113 L114 R118 E119 S120 | R112-H116 PolarHBondContact O-N 3.45Å; R112-H116 VanDerWaalsContact O-N 3.12Å; Y113-H116 PolarHBondContact O-N 3.26Å; L114-H116 VanDerWaalsContact C-N 3.34Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.35Å; H116-E119 PolarHBondContact O-N 3Å; H116-S120 PolarHBondContact O-N 3.1Å |
| 117 | K | 92.7 | Very high | 82.2 | Confident | 105 Ų | 105 | 119 Ų | 119 | 46% | 0.457 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.4 | -29.9 | 178.6 | -169.9 | 172.9 | -176.3 | 174.5 | 0 | 113.2 | Y113 L114 K115 S120 K121 | Y113-K117 HydrophobicContact CE1-CD 4.38Å; Y113-K117 PolarHBondContact O-N 3.36Å; L114-K117 PolarHBondContact O-N 3.03Å; K115-K117 PolarHBondContact O-N 2.83Å; K117-S120 PolarHBondContact O-OG 2.97Å; K117-S120 VanDerWaalsContact O-OG 3.07Å; K117-K121 WeakPolarHBondContact O-CG 3.49Å; K117-K121 PolarHBondContact O-N 3.18Å |
| 118 | R | 87.6 | Confident | 80 | Confident | 206 Ų | 206 | 117.4 Ų | 117.4 | 78% | 0.777 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.8 | -41.9 | 173.8 | -73.5 | -179.5 | 171.5 | 177.3 | -2 | 111.4 | L114 K115 H116 S120 K121 L122 | L114-R118 PolarHBondContact O-N 2.83Å; K115-R118 PolarHBondContact O-N 2.91Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.35Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.99Å; R118-K121 PolarHBondContact O-N 3.25Å; R118-L122 PolarHBondContact O-N 2.03Å |
| 119 | E | 82.3 | Confident | 77.5 | Confident | 103 Ų | 103 | 117 Ų | 117 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.5 | -35.3 | 179.2 | -67.9 | 172.3 | -173.2 | 0 | 0 | 112.1 | K115 H116 L122 | K115-E119 PolarHBondContact O-N 2.77Å; H116-E119 PolarHBondContact O-N 3Å; E119-L122 PolarHBondContact O-N 3.07Å |
| 120 | S | 79.3 | Confident | 75.5 | Confident | 59 Ų | 59 | 120.3 Ų | 120.3 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.3 | -37.6 | 176.1 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | H116 K117 R118 L122 K123 S124 | H116-S120 PolarHBondContact O-N 3.1Å; K117-S120 PolarHBondContact O-OG 2.97Å; K117-S120 VanDerWaalsContact O-OG 3.07Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.99Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.23Å; S120-K123 PolarHBondContact O-N 2.73Å; S120-S124 PolarHBondContact O-N 2.79Å |
| 121 | K | 72.5 | Confident | 73.4 | Confident | 151 Ų | 151 | 119.4 Ų | 119.4 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -31.6 | 175 | -75 | -123.5 | -177.9 | -177.5 | 0 | 112.9 | K117 R118 K123 | K117-K121 WeakPolarHBondContact O-CG 3.49Å; K117-K121 PolarHBondContact O-N 3.18Å; R118-K121 PolarHBondContact O-N 3.25Å; K121-K123 VanDerWaalsContact C-N 3.34Å |
| 122 | L | 65.1 | Low | 71.1 | Confident | 148 Ų | 148 | 126.9 Ų | 126.9 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.5 | -30.8 | 179.9 | -166.2 | 65.7 | 0 | 0 | 0 | 112.3 | R118 E119 S120 | R118-L122 PolarHBondContact O-N 2.03Å; E119-L122 PolarHBondContact O-N 3.07Å; S120-L122 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.23Å |
| 123 | K | 63.6 | Low | 68.3 | Low | 193 Ų | 193 | 123.3 Ų | 123.3 | 84% | 0.839 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.2 | -17.4 | 179.4 | -72.1 | -179.9 | 178 | 179.2 | 0 | 114.4 | S120 K121 | S120-K123 PolarHBondContact O-N 2.73Å; K121-K123 VanDerWaalsContact C-N 3.34Å |
| 124 | S | 57.6 | Low | 65.9 | Low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 5.8 | -176.2 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | S120 P126 | S120-S124 PolarHBondContact O-N 2.79Å; S124-P126 WeakPolarHBondContact O-CD 3.11Å |
| 125 | S | 55.1 | Low | 63.4 | Low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83.6 | 105.3 | 168.8 | -167.7 | 0 | 0 | 0 | 0 | 107.8 | A127 | S125-A127 PolarHBondContact O-N 2.96Š|
| 126 | P | 55.8 | Low | 61.5 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -57.9 | 138.4 | 170.6 | 26.3 | -32.3 | 0 | 0 | 0 | 107 | S124 A128 | S124-P126 WeakPolarHBondContact O-CD 3.11Å; P126-A128 PolarHBondContact O-N 3.16Å | ||
| 127 | A | 50.4 | Low | 59.2 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -49.2 | 97.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | S125 A129 | S125-A127 PolarHBondContact O-N 2.96Å; A127-A129 PolarHBondContact O-N 3.27Å | ||
| 128 | A | 52.6 | Low | 56.9 | Low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | -63.3 | 108.5 | 176 | 0 | 0 | 0 | 0 | 0 | 104.7 | P126 I130 | P126-A128 PolarHBondContact O-N 3.16Å; A128-I130 PolarHBondContact O-N 3.16Å | ||
| 129 | A | 44.6 | Very low | 54.7 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -50 | 113.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | A127 P131 | A127-A129 PolarHBondContact O-N 3.27Å; A129-P131 WeakPolarHBondContact O-CD 3.35Å; A129-P131 VanDerWaalsContact O-N 3.16Å | ||
| 130 | I | 57.2 | Low | 53 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -62.9 | 110.6 | -179.1 | -59 | 166.6 | 0 | 0 | 0 | 107.3 | A128 K132 | A128-I130 PolarHBondContact O-N 3.16Å; I130-K132 PolarHBondContact O-N 2.98Å | ||
| 131 | P | 53.6 | Low | 51.4 | Low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -74.4 | 126.6 | 163.1 | 0.7 | 19.8 | 0 | 0 | 0 | 105.7 | A129 C133 | A129-P131 WeakPolarHBondContact O-CD 3.35Å; A129-P131 VanDerWaalsContact O-N 3.16Å; P131-C133 PolarHBondContact O-N 2.92Å | ||
| 132 | K | 49.9 | Very low | 50.1 | Low | 209 Ų | 209 | 134.3 Ų | 134.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -58.3 | 100.7 | 174.9 | -68.2 | -179.3 | 179.2 | 179.8 | 0 | 109.2 | I130 K134 | I130-K132 PolarHBondContact O-N 2.98Å; K132-K134 PolarHBondContact O-N 2.87Å | ||
| 133 | C | 38.8 | Very low | 49.2 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 116.3 | 166.5 | -68.2 | 0 | 0 | 0 | 0 | 108.1 | P131 T135 | P131-C133 PolarHBondContact O-N 2.92Å; C133-T135 PolarHBondContact O-N 3.2Å |
| 134 | K | 45.1 | Very low | 48.3 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 116.3 | 169 | -168.1 | 168.8 | -175.8 | 178.9 | 0 | 107.1 | K132 P136 | K132-K134 PolarHBondContact O-N 2.87Å; K134-P136 WeakPolarHBondContact O-CD 3.36Å |
| 135 | T | 43.6 | Very low | 47.8 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.8 | 177.5 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | C133 | C133-T135 PolarHBondContact O-N 3.2Š|
| 136 | P | 54.6 | Low | 47.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -105.6 | 138.3 | 147.3 | -3.7 | 25.3 | 0 | 0 | 0 | 109.7 | K134 | K134-P136 WeakPolarHBondContact O-CD 3.36Š| ||
| 137 | P | 42.1 | Very low | 47 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -86.1 | 135.7 | 175.2 | 34.8 | -29.5 | 0 | 0 | 0 | 109.9 | ||||
| 138 | E | 43.6 | Very low | 47 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 179.5 | 94.6 | 145.6 | -149 | 139.2 | 105 | 0 | 0 | 107 | ||||
| 139 | Q | 40.6 | Very low | 47.2 | Very low | 178 Ų | 178 | 151 Ų | 151 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | 46.6 | 89.4 | 101.7 | -52.8 | -59.1 | -76.2 | 0 | 0 | 113.2 | |||||
| 140 | V | 47.1 | Very low | 47.1 | Very low | 136 Ų | 136 | 155.6 Ų | 155.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -135.6 | 127.7 | 156.7 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 141 | E | 45.1 | Very low | 46.1 | Very low | 181 Ų | 181 | 158.1 Ų | 158.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 144.5 | -172.4 | -78.4 | 108.2 | 135.6 | 0 | 0 | 115.5 | ||
| 142 | A | 45 | Very low | 45.5 | Very low | 97 Ų | 97 | 164.5 Ų | 164.5 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 119 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 143 | E | 47.6 | Very low | 45 | Very low | 195 Ų | 195 | 159.4 Ų | 159.4 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117.7 | 159.7 | -98.6 | -144.5 | 110.3 | 0 | 0 | 109.6 | F145 | E143-F145 PolarHBondContact O-N 3.24Š|
| 144 | E | 43.7 | Very low | 45.3 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -74.8 | 103.1 | 174.5 | -172.2 | 84.9 | -158.1 | 0 | 0 | 109.4 | D146 | E144-D146 PolarHBondContact O-N 2.9Š| ||
| 145 | F | 48.3 | Very low | 45.3 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -86.9 | 102 | 176 | -171 | -101.8 | 0 | 0 | 0 | 110.3 | E143 L147 | E143-F145 PolarHBondContact O-N 3.24Å; F145-L147 HydrophobicContact CD1-CD1 3.54Å; F145-L147 HydrophobicContact CD1-CG 4.3Å; F145-L147 HydrophobicContact CE1-CD1 3.9Å; F145-L147 HydrophobicContact CE1-CG 4.24Å; F145-L147 PolarHBondContact O-N 3.08Å | ||
| 146 | D | 49.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 154.2 Ų | 154.2 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 97.5 | -176.8 | -171.5 | 5.7 | 0 | 0 | 0 | 112.3 | E144 R148 | E144-D146 PolarHBondContact O-N 2.9Å; D146-R148 PolarHBondContact O-N 2.03Å | ||
| 147 | L | 42.8 | Very low | 45.7 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 99.8 | 169.5 | -84.1 | 98.9 | 0 | 0 | 0 | 110.7 | F145 | F145-L147 HydrophobicContact CD1-CD1 3.54Å; F145-L147 HydrophobicContact CD1-CG 4.3Å; F145-L147 HydrophobicContact CE1-CD1 3.9Å; F145-L147 HydrophobicContact CE1-CG 4.24Å; F145-L147 PolarHBondContact O-N 3.08Å | ||
| 148 | R | 50.4 | Low | 46.4 | Very low | 221 Ų | 221 | 151.3 Ų | 151.3 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.6 | 166.4 | -60.8 | -176.9 | -155.9 | 178.7 | 7.1 | 111 | D146 | D146-R148 PolarHBondContact O-N 2.03Š|
| 149 | P | 57.1 | Low | 46.9 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 133.6 | 172.1 | 30 | -30 | 0 | 0 | 0 | 111 | K151 | P149-K151 PolarHBondContact O-N 2.77Š|
| 150 | M | 43.1 | Very low | 47.5 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 93% | 0.931 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.7 | 169.8 | -82.3 | -179.5 | 136.5 | 0 | 0 | 110.6 | R152 | M150-R152 PolarHBondContact O-N 2.03Š|
| 151 | K | 36.2 | Very low | 48.1 | Very low | 206 Ų | 206 | 149.5 Ų | 149.5 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 110.6 | 175.9 | -128.6 | 172.5 | -177.1 | 177.8 | 0 | 109.4 | P149 S153 | P149-K151 PolarHBondContact O-N 2.77Å; K151-S153 PolarHBondContact O-N 3.5Å; K151-S153 VanDerWaalsContact O-N 3.09Å | ||
| 152 | R | 40.2 | Very low | 48.3 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -69.4 | 95.4 | 167.3 | -72.7 | 178 | 177 | 174.2 | -1.6 | 108.8 | M150 | M150-R152 PolarHBondContact O-N 2.03Š| ||
| 153 | S | 39.7 | Very low | 48.4 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -81.8 | 150.3 | 157.5 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | K151 | K151-S153 PolarHBondContact O-N 3.5Å; K151-S153 VanDerWaalsContact O-N 3.09Å | ||
| 154 | S | 45.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 85.1 | 64.5 | 178.5 | 80.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 155 | L | 46.5 | Very low | 48.8 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -128.5 | -8.1 | 154.2 | -112 | 153 | 0 | 0 | 0 | 113.2 | ||
| 156 | S | 52.1 | Low | 48.4 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -91.3 | -22.5 | 175.4 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | V158 | S156-V158 PolarHBondContact O-N 3.26Š|
| 157 | A | 53 | Low | 48 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -19.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 158 | V | 56.4 | Low | 48.1 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 60% | 0.6 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -18.2 | -179.8 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | S156 F162 | S156-V158 PolarHBondContact O-N 3.26Å; V158-F162 HydrophobicContact CG1-CE2 4.47Å |
| 159 | Q | 55.1 | Low | 47.6 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -24.4 | -176.2 | -163.4 | 152.7 | -14 | 0 | 0 | 113.1 | ||
| 160 | D | 52.3 | Low | 46.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -81.5 | -12.6 | 178.1 | -77.8 | -20.6 | 0 | 0 | 0 | 114.2 | ||
| 161 | F | 59.8 | Low | 46.6 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 75% | 0.746 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -77.2 | -24.4 | -179.9 | -160.5 | -97.3 | 0 | 0 | 0 | 113.1 | ||
| 162 | F | 51 | Low | 46.8 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -95.2 | -4.2 | -169.4 | -77.1 | -78.4 | 0 | 0 | 0 | 115.8 | V158 | V158-F162 HydrophobicContact CG1-CE2 4.47Š|
| 163 | L | 46.1 | Very low | 46.6 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -106.4 | 6.2 | -175.2 | -73.2 | -179.2 | 0 | 0 | 0 | 116.1 | ||
| 164 | N | 51.9 | Low | 46.6 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | -115.6 | 20.6 | -175.1 | -106 | 37.4 | 0 | 0 | 0 | 116.2 | N166 | N164-N166 PolarHBondContact O-N 3.17Š| ||
| 165 | M | 46.8 | Very low | 46.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -90.3 | 80 | 169.2 | -65.9 | -165.8 | -63.2 | 0 | 0 | 110.5 | ||||
| 166 | N | 40.1 | Very low | 45.7 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -79.5 | 106.9 | 158 | -91.7 | -7.2 | 0 | 0 | 0 | 107.5 | N164 | N164-N166 PolarHBondContact O-N 3.17Š| ||
| 167 | I | 42.2 | Very low | 45.5 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | trans | -110.3 | 100.4 | 163.7 | -60.6 | -171.1 | 0 | 0 | 0 | 105.9 | A169 | I167-A169 PolarHBondContact O-N 2.96Š| ||
| 168 | D | 44.5 | Very low | 44.9 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -59.2 | 127.6 | 172.3 | -67 | -54.3 | 0 | 0 | 0 | 109.3 | ||||
| 169 | A | 40.8 | Very low | 44.2 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -70.7 | 132.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I167 E171 | I167-A169 PolarHBondContact O-N 2.96Å; A169-E171 PolarHBondContact O-N 2.74Å | ||
| 170 | P | 39.4 | Very low | 43.5 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 104.9 | 170.4 | 28.1 | -29.7 | 0 | 0 | 0 | 109.9 | N172 | P170-N172 PolarHBondContact O-N 3.03Š| ||
| 171 | E | 39.1 | Very low | 43 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 117 | 152.5 | -83.3 | -176.8 | 147.3 | 0 | 0 | 107.8 | A169 | A169-E171 PolarHBondContact O-N 2.74Š| ||
| 172 | N | 40.3 | Very low | 42.3 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 173.4 | 93.6 | 140.2 | -83.8 | -39.2 | 0 | 0 | 0 | 108.4 | P170 P174 | P170-N172 PolarHBondContact O-N 3.03Å; N172-P174 WeakPolarHBondContact O-CD 2.99Å | ||
| 173 | A | 36.5 | Very low | 42.7 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | -92.2 | 120.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 174 | P | 40.1 | Very low | 43.2 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -105.9 | 117.9 | 162 | 25.9 | -10.3 | 0 | 0 | 0 | 110.4 | N172 | N172-P174 WeakPolarHBondContact O-CD 2.99Š| ||
| 175 | G | 36.6 | Very low | 43.3 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 69.8 | 91.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q177 | G175-Q177 PolarHBondContact O-N 2.91Š| ||
| 176 | E | 35.3 | Very low | 43.9 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -52.4 | 117 | 155.5 | -67 | 157.1 | 125.7 | 0 | 0 | 111.1 | ||||
| 177 | Q | 47.3 | Very low | 44.6 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -127.6 | 93.1 | 149.7 | -88.9 | -175.4 | -35.3 | 0 | 0 | 108.8 | G175 I179 | G175-Q177 PolarHBondContact O-N 2.91Å; Q177-I179 PolarHBondContact O-N 3.11Å | ||
| 178 | Q | 40.5 | Very low | 45.4 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -79.1 | 95.8 | -176.7 | -158.6 | 154.9 | -39.9 | 0 | 0 | 108.9 | ||||
| 179 | I | 42.6 | Very low | 46.1 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -93.9 | 95.4 | 167.1 | -55.1 | -178.2 | 0 | 0 | 0 | 106.9 | Q177 A181 | Q177-I179 PolarHBondContact O-N 3.11Å; I179-A181 PolarHBondContact O-N 3.05Å | ||
| 180 | Q | 41.2 | Very low | 46.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | trans | -83 | 94.2 | 178.4 | -169.8 | 150.4 | -0.6 | 0 | 0 | 109 | D182 | Q180-D182 WeakPolarHBondContact CG-OD1 3.48Å; Q180-D182 PolarHBondContact NE2-OD1 3.18Å | ||
| 181 | A | 41.3 | Very low | 47.3 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | -96.8 | 98.1 | 166 | 0 | 0 | 0 | 0 | 0 | 107.7 | I179 V183 | I179-A181 PolarHBondContact O-N 3.05Å; A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.21Å | ||
| 182 | D | 44.2 | Very low | 47.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -69.5 | 84.5 | 176.3 | -64.2 | -42.1 | 0 | 0 | 0 | 109.6 | Q180 K184 | Q180-D182 WeakPolarHBondContact CG-OD1 3.48Å; Q180-D182 PolarHBondContact NE2-OD1 3.18Å; D182-K184 PolarHBondContact O-N 3.25Å | ||
| 183 | V | 59.7 | Low | 48.4 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -77.3 | 102.2 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | A181 I185 | A181-V183 VanDerWaalsContact C-N 3.28Å; A181-V183 PolarHBondContact O-N 3.21Å; V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 3.16Å; V183-I185 VanDerWaalsContact O-N 3.08Å | ||
| 184 | K | 56 | Low | 49 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 100.3 | 166 | -78.5 | -177.3 | 177.6 | 178.8 | 0 | 108.2 | D182 D186 | D182-K184 PolarHBondContact O-N 3.25Å; K184-D186 PolarHBondContact O-N 3.1Å | ||
| 185 | I | 54.5 | Low | 49.5 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -87.5 | 104.1 | 167.7 | -53.2 | 178.3 | 0 | 0 | 0 | 105.7 | V183 Q187 | V183-I185 HydrophobicContact CG1-CG1 3.82Å; V183-I185 PolarHBondContact O-N 3.16Å; V183-I185 VanDerWaalsContact O-N 3.08Å; I185-Q187 PolarHBondContact O-N 3.47Å | ||
| 186 | D | 58.9 | Low | 49.9 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 123.3 | 172.4 | -72.6 | -36.5 | 0 | 0 | 0 | 108.7 | K184 Y188 | K184-D186 PolarHBondContact O-N 3.1Å; D186-Y188 PolarHBondContact O-N 3.12Å | ||
| 187 | Q | 56.6 | Low | 50.2 | Low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 98.5 | -176.7 | -175.2 | 177.6 | -25.3 | 0 | 0 | 109.3 | I185 | I185-Q187 PolarHBondContact O-N 3.47Š| ||
| 188 | Y | 57.9 | Low | 50.1 | Low | 203 Ų | 203 | 147.4 Ų | 147.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -77.5 | 119.9 | 168.4 | -89.5 | -95.1 | 0 | 0 | 0 | 109.6 | D186 L190 | D186-Y188 PolarHBondContact O-N 3.12Å; Y188-L190 PolarHBondContact O-N 2.86Å | ||
| 189 | D | 59.8 | Low | 50.5 | Low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 102.6 | 174.5 | -70.2 | -43.8 | 0 | 0 | 0 | 110.1 | A191 | D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 PolarHBondContact O-N 3.11Å | ||
| 190 | L | 56.4 | Low | 50.5 | Low | 153 Ų | 153 | 146.7 Ų | 146.7 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -69.8 | 92.1 | 168.6 | -96.3 | 77.8 | 0 | 0 | 0 | 109.2 | Y188 K192 | Y188-L190 PolarHBondContact O-N 2.86Å; L190-K192 PolarHBondContact O-N 3.36Å; L190-K192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | A | 47.6 | Very low | 50.6 | Low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 106.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | D189 N193 | D189-A191 VanDerWaalsContact C-N 3.35Å; D189-A191 PolarHBondContact O-N 3.11Å; A191-N193 PolarHBondContact O-N 2.81Å | ||
| 192 | K | 49.5 | Very low | 50.7 | Low | 184 Ų | 184 | 150.8 Ų | 150.8 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -56.7 | 106.3 | 170.3 | -71.8 | -179.2 | 177.3 | -178.5 | 0 | 109.9 | L190 | L190-K192 PolarHBondContact O-N 3.36Å; L190-K192 VanDerWaalsContact O-N 3.1Å | ||
| 193 | N | 54.5 | Low | 50.3 | Low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -104.3 | 82.6 | 161.4 | -82.3 | -41.1 | 0 | 0 | 0 | 108.5 | A191 K195 | A191-N193 PolarHBondContact O-N 2.81Å; N193-K195 PolarHBondContact O-N 3.07Å | ||
| 194 | D | 49.1 | Very low | 49.5 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 83.8 | 163 | -69.5 | -43.2 | 0 | 0 | 0 | 108.2 | ||||
| 195 | K | 50 | Low | 48.3 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -114 | 105.4 | 160 | -83.3 | -165.9 | 177.8 | -171.9 | 0 | 108.6 | N193 A197 | N193-K195 PolarHBondContact O-N 3.07Å; K195-A197 PolarHBondContact O-N 3.36Å | ||
| 196 | Q | 45 | Very low | 47.1 | Very low | 198 Ų | 198 | 153 Ų | 153 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -42.9 | 110.3 | 170.2 | -69.7 | 166.6 | -44 | 0 | 0 | 109.8 | N198 | Q196-N198 PolarHBondContact O-N 3.33Å; Q196-N198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | A | 42.4 | Very low | 46.1 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -63.9 | 113.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | K195 Q199 | K195-A197 PolarHBondContact O-N 3.36Å; A197-Q199 PolarHBondContact O-N 3.15Å | ||
| 198 | N | 44.9 | Very low | 45.3 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -67.2 | 122.9 | 168.3 | -169.2 | 16.5 | 0 | 0 | 0 | 107.7 | Q196 N200 | Q196-N198 PolarHBondContact O-N 3.33Å; Q196-N198 VanDerWaalsContact O-N 3.16Å; N198-N200 PolarHBondContact O-N 3.35Å | ||
| 199 | Q | 48.2 | Very low | 44.3 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 96.7 | 177.5 | -70.8 | 170.5 | -55.5 | 0 | 0 | 109.2 | A197 | A197-Q199 PolarHBondContact O-N 3.15Š| ||
| 200 | N | 42.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | trans | -109.7 | 98.4 | 156.3 | -72 | -5.9 | 0 | 0 | 0 | 106.5 | N198 E202 | N198-N200 PolarHBondContact O-N 3.35Å; N200-E202 PolarHBondContact O-N 3.26Å | ||
| 201 | D | 42.6 | Very low | 42.4 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -63.7 | 84.6 | 168.2 | -66 | -52.5 | 0 | 0 | 0 | 109 | Q203 | D201-Q203 PolarHBondContact O-N 3.24Š| ||
| 202 | E | 44.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -94.9 | 83.5 | 165.6 | -137.3 | 160.3 | 116.9 | 0 | 0 | 107.6 | N200 Q204 | N200-E202 PolarHBondContact O-N 3.26Å; E202-Q204 PolarHBondContact O-N 2.83Å | ||
| 203 | Q | 36.1 | Very low | 41 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 78.4 | 176.5 | -158.9 | 161.7 | -9.8 | 0 | 0 | 108.7 | D201 S205 | D201-Q203 PolarHBondContact O-N 3.24Å; Q203-S205 PolarHBondContact O-N 3.33Å | ||
| 204 | Q | 41.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | trans | -71.7 | 99.8 | 173.7 | -80.7 | -176 | -20.2 | 0 | 0 | 108.5 | E202 Y206 | E202-Q204 PolarHBondContact O-N 2.83Å; Q204-Y206 HydrophobicContact CB-CE1 4.36Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y206 VanDerWaalsContact O-CE2 3.28Å; Q204-Y206 WeakPolarHBondContact O-CE2 3.44Å; Q204-Y206 PolarHBondContact O-N 2.8Å; Q204-Y206 VanDerWaalsContact O-N 3.12Å | ||
| 205 | S | 32.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 107 | 171.3 | 67 | 0 | 0 | 0 | 0 | 109.2 | Q203 S207 | Q203-S205 PolarHBondContact O-N 3.33Å; S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 VanDerWaalsContact O-N 3.17Å | ||
| 206 | Y | 29.1 | Very low | 38.9 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -72.2 | 104.7 | 167.6 | -35.6 | -80.5 | 0 | 0 | 0 | 107.3 | Q204 L208 | Q204-Y206 HydrophobicContact CB-CE1 4.36Å; Q204-Y206 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y206 VanDerWaalsContact O-CE2 3.28Å; Q204-Y206 WeakPolarHBondContact O-CE2 3.44Å; Q204-Y206 PolarHBondContact O-N 2.8Å; Q204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-L208 PolarHBondContact O-N 3.25Å | ||
| 207 | S | 37.2 | Very low | 38.4 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 114.7 | 167.4 | 54.8 | 0 | 0 | 0 | 0 | 107.6 | S205 V209 | S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 VanDerWaalsContact O-N 3.17Å; S207-V209 PolarHBondContact O-N 2.04Å | ||
| 208 | L | 39.4 | Very low | 38 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 109.6 | 169 | -68.3 | 168.4 | 0 | 0 | 0 | 108.2 | Y206 E210 | Y206-L208 PolarHBondContact O-N 3.25Å; L208-E210 PolarHBondContact O-N 2.02Å; L208-E210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | V | 37.1 | Very low | 37.6 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -73.9 | 105 | 170.6 | -169.5 | 0 | 0 | 0 | 0 | 105.4 | S207 S211 | S207-V209 PolarHBondContact O-N 2.04Å; V209-S211 PolarHBondContact O-N 3.16Å | ||
| 210 | E | 39.7 | Very low | 36.8 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -62.8 | 81.7 | 165.7 | -75.2 | 173.8 | 148 | 0 | 0 | 107.7 | L208 D212 | L208-E210 PolarHBondContact O-N 2.02Å; L208-E210 VanDerWaalsContact O-N 3.14Å; E210-D212 PolarHBondContact O-N 2.89Å | ||
| 211 | S | 37.8 | Very low | 36.5 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -78.3 | 99.3 | 165.9 | 160.1 | 0 | 0 | 0 | 0 | 106.4 | V209 Y213 | V209-S211 PolarHBondContact O-N 3.16Å; S211-Y213 PolarHBondContact O-N 3.48Å | ||
| 212 | D | 36.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -49.8 | 82.4 | 168.5 | -69.8 | -45.4 | 0 | 0 | 0 | 111.2 | E210 V214 | E210-D212 PolarHBondContact O-N 2.89Å; D212-V214 PolarHBondContact O-N 2.84Å; D212-V214 VanDerWaalsContact O-N 3.11Å | ||
| 213 | Y | 30.1 | Very low | 35.4 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -79 | 96.8 | 166.3 | -156.1 | -94.8 | 0 | 0 | 0 | 106.8 | S211 M215 | S211-Y213 PolarHBondContact O-N 3.48Å; Y213-M215 HydrophobicContact CD1-SD 4.49Å; Y213-M215 PolarHBondContact O-N 2.82Å | ||
| 214 | V | 36.1 | Very low | 34.9 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -58.5 | 102.3 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | D212 G216 | D212-V214 PolarHBondContact O-N 2.84Å; D212-V214 VanDerWaalsContact O-N 3.11Å; V214-G216 PolarHBondContact O-N 2.75Å | ||
| 215 | M | 41.4 | Very low | 34.3 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -63.2 | 100.8 | 175.2 | -66.5 | -69.4 | -75.4 | 0 | 0 | 108.4 | Y213 N217 | Y213-M215 HydrophobicContact CD1-SD 4.49Å; Y213-M215 PolarHBondContact O-N 2.82Å; M215-N217 PolarHBondContact O-N 2.91Å | ||
| 216 | G | 33.5 | Very low | 34 | Very low | 61 Ų | 61 | 144.6 Ų | 144.6 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -61.6 | 115.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V214 I218 | V214-G216 PolarHBondContact O-N 2.75Å; G216-I218 PolarHBondContact O-N 2.04Å | ||
| 217 | N | 34.5 | Very low | 34.1 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 96.7 | 172.7 | -62.2 | -18.1 | 0 | 0 | 0 | 108.7 | M215 | M215-N217 PolarHBondContact O-N 2.91Š| ||
| 218 | I | 33.7 | Very low | 33.6 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -104.8 | 108.9 | 165.4 | -57.6 | 179.8 | 0 | 0 | 0 | 105.9 | G216 L220 | G216-I218 PolarHBondContact O-N 2.04Å; I218-L220 PolarHBondContact O-N 3.05Å | ||
| 219 | E | 35.9 | Very low | 33.1 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -52.7 | 119.5 | 173 | -75.9 | 167.6 | 133.4 | 0 | 0 | 109.2 | E221 | E219-E221 VanDerWaalsContact C-N 3.33Å; E219-E221 PolarHBondContact O-N 3.37Å | ||
| 220 | L | 32 | Very low | 32.5 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 90.2 | 172.5 | -87.4 | 140.7 | 0 | 0 | 0 | 109 | I218 T222 | I218-L220 PolarHBondContact O-N 3.05Å; L220-T222 PolarHBondContact O-N 3.29Å; L220-T222 VanDerWaalsContact O-N 3.16Å | ||
| 221 | E | 36.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -71.7 | 106.1 | 157.7 | -74.2 | -161 | 153.3 | 0 | 0 | 108.3 | E219 A223 | E219-E221 VanDerWaalsContact C-N 3.33Å; E219-E221 PolarHBondContact O-N 3.37Å; E221-A223 PolarHBondContact O-N 3.47Å | ||
| 222 | T | 29.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -56.4 | 97.7 | 172 | 45.9 | 0 | 0 | 0 | 0 | 111 | L220 | L220-T222 PolarHBondContact O-N 3.29Å; L220-T222 VanDerWaalsContact O-N 3.16Å | ||
| 223 | A | 34.2 | Very low | 31 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -107.2 | 85.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E221 T225 | E221-A223 PolarHBondContact O-N 3.47Å; A223-T225 PolarHBondContact O-N 3.47Å; A223-T225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | N | 25.9 | Very low | 31 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -61.6 | 105.9 | 160 | -92.5 | -20.2 | 0 | 0 | 0 | 108.9 | ||||
| 225 | T | 27.7 | Very low | 30.6 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -149 | 102.1 | 148.4 | 40.3 | 0 | 0 | 0 | 0 | 109.8 | A223 S227 | A223-T225 PolarHBondContact O-N 3.47Å; A223-T225 VanDerWaalsContact O-N 3.16Å; T225-S227 PolarHBondContact O-N 2.98Å | ||
| 226 | V | 26.4 | Very low | 30.1 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -54.2 | 116.4 | 156.7 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 227 | S | 30.9 | Very low | 29.7 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -141.6 | 79.4 | 162.4 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | T225 G229 | T225-S227 PolarHBondContact O-N 2.98Å; S227-G229 VanDerWaalsContact C-N 3.34Å; S227-G229 PolarHBondContact O-N 2.86Å | ||
| 228 | S | 26.8 | Very low | 29.5 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -58 | 100.5 | 150.6 | -47.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 229 | G | 29.1 | Very low | 29.2 | Very low | 57 Ų | 57 | 138 Ų | 138 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 102.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111 | S227 | S227-G229 VanDerWaalsContact C-N 3.34Å; S227-G229 PolarHBondContact O-N 2.86Å | ||
| 230 | Q | 25.1 | Very low | 28.8 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -44.4 | 135 | 170.9 | -66.2 | 156.7 | -72.9 | 0 | 0 | 112.3 | ||||
| 231 | K | 29.8 | Very low | 28.8 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -151.9 | 121.4 | 146 | -114.2 | 168.7 | -172.3 | -179.6 | 0 | 109.7 | ||||
| 232 | G | 26.6 | Very low | 28.6 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 165.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 233 | S | 25.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -41 | 126.9 | 172.8 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | K235 | S233-K235 PolarHBondContact O-N 3.18Š| ||
| 234 | P | 30.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 110.3 | 150.7 | 16.3 | -0.3 | 0 | 0 | 0 | 107.4 | E236 | P234-E236 PolarHBondContact O-N 3.1Š| ||
| 235 | K | 27.5 | Very low | 29.3 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 88.1 | 158.3 | -79 | -179.6 | 176.1 | 178.7 | 0 | 107.1 | S233 S237 | S233-K235 PolarHBondContact O-N 3.18Å; K235-S237 PolarHBondContact O-N 3.47Å | ||
| 236 | E | 29.3 | Very low | 29.7 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | -95.1 | 92.9 | 168.6 | -155.2 | 157.6 | -154.3 | 0 | 0 | 108.4 | P234 V238 | P234-E236 PolarHBondContact O-N 3.1Å; E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 3.1Å | ||
| 237 | S | 26.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -61.1 | 92.4 | 165.4 | 5.6 | 0 | 0 | 0 | 0 | 108.2 | K235 T239 | K235-S237 PolarHBondContact O-N 3.47Å; S237-T239 PolarHBondContact O-N 2.93Å; S237-T239 VanDerWaalsContact O-N 3.1Å | ||
| 238 | V | 28.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | trans | -75.2 | 99 | 172.2 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | E236 I240 | E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 3.1Å; V238-I240 PolarHBondContact O-N 3.02Å; V238-I240 VanDerWaalsContact O-N 3.1Å | ||
| 239 | T | 27.4 | Very low | 31 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 105.8 | 166.9 | -58.8 | 0 | 0 | 0 | 0 | 108.1 | S237 R241 | S237-T239 PolarHBondContact O-N 2.93Å; S237-T239 VanDerWaalsContact O-N 3.1Å; T239-R241 PolarHBondContact O-N 3.1Å | ||
| 240 | I | 27.8 | Very low | 31.4 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 106 | 174.6 | -58.9 | -178.8 | 0 | 0 | 0 | 108 | V238 Q242 | V238-I240 PolarHBondContact O-N 3.02Å; V238-I240 VanDerWaalsContact O-N 3.1Å; I240-Q242 PolarHBondContact O-N 3.36Å | ||
| 241 | R | 31.9 | Very low | 31.8 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -74.7 | 113.7 | 164 | -75.1 | -176.5 | 175.9 | 164.8 | 0.3 | 107.1 | T239 D243 | T239-R241 PolarHBondContact O-N 3.1Å; R241-D243 PolarHBondContact O-N 2.85Å | ||
| 242 | Q | 32.2 | Very low | 32.2 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -68.7 | 95.6 | 169.3 | -70.1 | 174 | -39.1 | 0 | 0 | 107.8 | I240 T244 | I240-Q242 PolarHBondContact O-N 3.36Å; Q242-T244 VanDerWaalsContact C-N 3.35Å; Q242-T244 PolarHBondContact O-N 3.05Å | ||
| 243 | D | 35.5 | Very low | 32.4 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -70.9 | 98.9 | 165.1 | -72 | -32.8 | 0 | 0 | 0 | 107.4 | R241 A245 | R241-D243 PolarHBondContact O-N 2.85Å; D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 3.03Å | ||
| 244 | T | 33.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -57.7 | 91.6 | 164.9 | 29 | 0 | 0 | 0 | 0 | 108.9 | Q242 S246 | Q242-T244 VanDerWaalsContact C-N 3.35Å; Q242-T244 PolarHBondContact O-N 3.05Å; T244-S246 PolarHBondContact O-N 3.21Å | ||
| 245 | A | 35 | Very low | 32.9 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 115.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108 | D243 | D243-A245 VanDerWaalsContact C-N 3.27Å; D243-A245 PolarHBondContact O-N 3.03Å | ||
| 246 | S | 37.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -67.2 | 131.8 | -179.1 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | T244 T248 | T244-S246 PolarHBondContact O-N 3.21Å; S246-T248 PolarHBondContact O-N 2.95Å | ||
| 247 | N | 36.5 | Very low | 33.5 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -59.3 | 98.4 | 165.4 | -85 | -19.7 | 0 | 0 | 0 | 109.5 | T249 | N247-T249 PolarHBondContact O-N 3.25Š| ||
| 248 | T | 37.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -78.2 | 98.4 | 160.2 | 18.1 | 0 | 0 | 0 | 0 | 108.6 | S246 S250 | S246-T248 PolarHBondContact O-N 2.95Å; T248-S250 PolarHBondContact O-N 3.2Å | ||
| 249 | T | 37.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -52.7 | 104.6 | 161.3 | -50.2 | 0 | 0 | 0 | 0 | 108.5 | N247 T251 | N247-T249 PolarHBondContact O-N 3.25Å; T249-T251 PolarHBondContact O-N 3.04Å | ||
| 250 | S | 37.4 | Very low | 34.8 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -81.2 | 97.9 | 173.3 | -150.7 | 0 | 0 | 0 | 0 | 108 | T248 | T248-S250 PolarHBondContact O-N 3.2Š| ||
| 251 | T | 32 | Very low | 35.4 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 77% | 0.767 | 84% | 0.841 | S | S | * | * | trans | -72.8 | 113.3 | 167.7 | -27.5 | 0 | 0 | 0 | 0 | 108.5 | T249 | T249-T251 PolarHBondContact O-N 3.04Š| ||
| 252 | Q | 38 | Very low | 35.7 | Very low | 266 Ų | 266 | 144.5 Ų | 144.5 | 100% | 1.243 | 84% | 0.842 | S | S | * | * | trans | -173.9 | 0 | 141 | -105.4 | 179.2 | 22.3 | 0 | 0 | 110.2 |
Retrieved 252 of 252 residues in 194.7 ms
(Link to these results)