| 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 | E | 52.9 | Low | 88.4 | Confident | 240 Ų | 240 | 90.8 Ų | 90.8 | 100% | 1.122 | 46% | 0.459 | S | S | * | . | 0 | 155.2 | 0 | -68.3 | 140.1 | 142.7 | 0 | 0 | 107.7 | |||||
| 2 | C | 64.4 | Low | 89.2 | Confident | 120 Ų | 120 | 89.7 Ų | 89.7 | 81% | 0.811 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 134.7 | 170 | -77.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 3 | E | 84.8 | Confident | 90 | Very high | 171 Ų | 171 | 84.1 Ų | 84.1 | 80% | 0.799 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 140.1 | 172.6 | -66.7 | -170.5 | 155 | 0 | 0 | 109.9 | ||
| 4 | P | 88.3 | Confident | 90.6 | Very high | 65 Ų | 65 | 85.7 Ų | 85.7 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 134.2 | -178.1 | 33.2 | -36.1 | 0 | 0 | 0 | 110.7 | L30 L31 Y32 | P4-L30 HydrophobicContact CB-CD1 3.64Å; P4-L30 HydrophobicContact CB-CD2 4.03Å; P4-L30 HydrophobicContact CB-CG 3.71Å; P4-L30 HydrophobicContact CG-CD1 3.95Å; P4-L30 HydrophobicContact CG-CD2 4.25Å; P4-L30 HydrophobicContact CG-CG 4.32Å; P4-L31 CarbonylContact C-O 3.49Å; P4-L31 VanDerWaalsContact CA-O 3.3Å; P4-L31 WeakPolarHBondContact CA-O 3.26Å; P4-Y32 HydrophobicContact CB-CD1 3.84Å; P4-Y32 HydrophobicContact CB-CE1 3.91Å |
| 5 | I | 94.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 81.3 Ų | 81.3 | 33% | 0.333 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.9 | -173.6 | -57.2 | 168.3 | 0 | 0 | 0 | 109.4 | L31 W40 V58 | I5-L31 HydrophobicContact CB-CB 4.29Å; I5-L31 PolarHBondContact N-O 3.36Å; I5-L31 PolarHBondContact O-N 3.18Å; I5-W40 HydrophobicContact CD1-CH2 3.92Å; I5-W40 HydrophobicContact CD1-CZ3 4.1Å; I5-V58 HydrophobicContact CG2-CG1 3.46Å; I5-V58 VanDerWaalsContact CG2-CG1 3.46Å |
| 6 | E | 96.3 | Very high | 91.5 | Very high | 108 Ų | 108 | 89.3 Ų | 89.3 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 144.6 | 174.7 | -65.6 | -160.8 | 167.1 | 0 | 0 | 112.3 | L30 Q59 | E6-L30 HydrophobicContact CG-CD1 4.44Å; E6-Q59 HydrophobicContact CB-CB 4.35Å; E6-Q59 PolarHBondContact O-N 2.77Å; E6-Q59 PolarHBondContact OE2-NE2 3.16Å |
| 7 | A | 97.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 88.2 Ų | 88.2 | 1% | 0.008 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L29 L31 I56 V57 | A7-L29 HydrophobicContact CB-CB 4.43Å; A7-L29 PolarHBondContact N-O 3.15Å; A7-L29 PolarHBondContact O-N 3.25Å; A7-L31 HydrophobicContact CB-CD1 3.76Å; A7-L31 HydrophobicContact CB-CD2 4.25Å; A7-L31 HydrophobicContact CB-CG 3.94Å; A7-I56 HydrophobicContact CB-CB 4.41Å; A7-I56 HydrophobicContact CB-CD1 4.15Å; A7-V57 CarbonylContact C-O 3.36Å; A7-V57 WeakPolarHBondContact CA-O 3.48Å; A7-V57 WeakPolarHBondContact CB-O 3.39Å |
| 8 | I | 98.1 | Very high | 92.1 | Very high | 47 Ų | 47 | 89.8 Ų | 89.8 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.7 | 175.2 | -55.7 | -59.5 | 0 | 0 | 0 | 109.8 | K10 I56 V57 Q59 | I8-K10 PolarHBondContact O-N 3.34Å; I8-I56 CarbonylContact O-C 3.55Å; I8-I56 WeakPolarHBondContact O-CA 3.5Å; I8-V57 PolarHBondContact N-O 2.96Å; I8-V57 PolarHBondContact O-N 3.49Å; I8-Q59 HydrophobicContact CG1-CG 4.14Å |
| 9 | A | 98.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 95.6 Ų | 95.6 | 2% | 0.017 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 119.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F23 K24 G26 A27 L29 | A9-F23 HydrophobicContact CB-CD2 3.38Å; A9-F23 HydrophobicContact CB-CE2 3.62Å; A9-F23 HydrophobicContact CB-CG 4.42Å; A9-K24 VanDerWaalsContact CB-O 3.24Å; A9-K24 WeakPolarHBondContact CB-O 3.3Å; A9-G26 PolarHBondContact O-N 2.81Å; A9-A27 HydrophobicContact CB-CB 4.28Å; A9-A27 PolarHBondContact N-O 3.38Å; A9-L29 HydrophobicContact CB-CD1 4.12Å |
| 10 | K | 98.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 92.3 Ų | 92.3 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -86.1 | -18.3 | 178.1 | 80.3 | -152.5 | 177.5 | -157.2 | 0 | 113.5 | I8 K25 Q54 Y55 I56 V57 | I8-K10 PolarHBondContact O-N 3.34Å; K10-K25 VanDerWaalsContact O-CD 3.24Å; K10-K25 WeakPolarHBondContact O-CD 3.49Å; K10-K25 VanDerWaalsContact O-CE 3.27Å; K10-K25 WeakPolarHBondContact O-CE 3.44Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; K10-Q54 WeakPolarHBondContact CE-O 3.02Å; K10-Q54 PolarHBondContact NZ-O 3.1Å; K10-Y55 WeakPolarHBondContact CG-O 3.37Å; K10-Y55 PolarHBondContact N-O 2.89Å; K10-I56 PolarHBondContact NZ-O 3.32Å; K10-I56 VanDerWaalsContact NZ-O 3.16Å; K10-V57 HydrophobicContact CB-CG2 4.2Å; K10-V57 HydrophobicContact CD-CG2 3.94Å |
| 11 | F | 98.4 | Very high | 93 | Very high | 109 Ų | 109 | 88.4 Ų | 88.4 | 48% | 0.478 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -137 | 161.7 | 174.8 | -51.9 | -55.6 | 0 | 0 | 0 | 110.6 | Y55 | F11-Y55 HydrophobicContact CB-CD1 3.82Å; F11-Y55 HydrophobicContact CB-CE1 4.17Å; F11-Y55 HydrophobicContact CD2-CD1 4.2Å; F11-Y55 HydrophobicContact CD2-CE1 4.46Å |
| 12 | D | 98.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 80 Ų | 80 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | trans | -63.4 | 142 | 164 | -81.2 | 17.3 | 0 | 0 | 0 | 110.2 | K24 K25 Y55 | D12-K24 HydrophobicContact CB-CD 4.44Å; D12-K24 VanDerWaalsContact CG-CD 3.42Å; D12-K24 WeakPolarHBondContact OD1-CA 3.28Å; D12-K24 WeakPolarHBondContact OD1-CD 3.39Å; D12-K24 WeakPolarHBondContact OD2-CD 3.3Å; D12-K24 WeakPolarHBondContact OD2-CE 3.44Å; D12-K24 IonicContact OD2-NZ 2.75Å; D12-K24 PolarHBondContact OD2-NZ 3.4Å; D12-K25 PolarHBondContact OD1-N 2.91Å; D12-Y55 WeakPolarHBondContact O-CE1 3.44Å | ||
| 13 | Y | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 74.6 Ų | 74.6 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -138.6 | 135.9 | 173.1 | -172.3 | -106.1 | 0 | 0 | 0 | 111.4 | E20 L21 S22 F23 W39 P52 Y55 | Y13-E20 HydrophobicContact CE1-CB 4.46Å; Y13-E20 PolarHBondContact OH-OE2 2.86Å; Y13-L21 VanDerWaalsContact CD1-O 3.27Å; Y13-L21 WeakPolarHBondContact CD1-O 3.33Å; Y13-S22 WeakPolarHBondContact O-CA 3.26Å; Y13-F23 AromaticContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CZ 4.09Å; Y13-F23 HydrophobicContact CG-CE1 4.32Å; Y13-F23 HydrophobicContact CG-CE2 4.49Å; Y13-F23 HydrophobicContact CG-CZ 4.05Å; Y13-F23 PolarHBondContact N-O 2.99Å; Y13-F23 PolarHBondContact O-N 3.39Å; Y13-W39 WeakPolarHBondContact OH-CH2 3.43Å; Y13-P52 HydrophobicContact CD1-CG 3.8Å; Y13-P52 HydrophobicContact CD2-CG 3.87Å; Y13-P52 HydrophobicContact CE1-CG 3.68Å; Y13-P52 HydrophobicContact CE2-CG 3.75Å; Y13-P52 HydrophobicContact CG-CG 3.89Å; Y13-Y55 AromaticContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD2 4.2Å; Y13-Y55 AromaticContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE2 4.17Å; Y13-Y55 AromaticContact CD2-CG 4Å; Y13-Y55 HydrophobicContact CD2-CG 4Å; Y13-Y55 AromaticContact CD2-CZ 3.93Å; Y13-Y55 HydrophobicContact CE2-CE2 4.37Å; Y13-Y55 HydrophobicContact CG-CD1 4.17Å; Y13-Y55 HydrophobicContact CG-CG 4.43Å |
| 14 | V | 98.5 | Very high | 97.4 | Very high | 107 Ų | 107 | 72.7 Ų | 72.7 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | trans | -117.1 | 117.2 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | R16 | V14-R16 PolarHBondContact O-N 2.86Š| ||
| 15 | G | 97.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 76.6 Ų | 76.6 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | trans | -60.9 | 132.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S22 | G15-S22 PolarHBondContact N-OG 2.79Š| ||
| 16 | R | 98.1 | Very high | 98.1 | Very high | 209 Ų | 209 | 75.8 Ų | 75.8 | 79% | 0.789 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -89.6 | -20.9 | -177.6 | -57.4 | 176.8 | 178.3 | 174 | -0.2 | 112.2 | V14 E20 | V14-R16 PolarHBondContact O-N 2.86Å; R16-E20 WeakPolarHBondContact CB-OE2 3.42Å; R16-E20 PolarHBondContact N-OE2 3.01Å |
| 17 | T | 97.8 | Very high | 98.2 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -126.8 | 161.3 | 174.7 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | R19 E20 | T17-R19 PolarHBondContact O-N 3.17Å; T17-E20 VanDerWaalsContact CB-OE1 3.32Å; T17-E20 WeakPolarHBondContact CB-OE1 3.28Å; T17-E20 VanDerWaalsContact CG2-OE1 3.23Å; T17-E20 WeakPolarHBondContact CG2-OE1 3.41Å; T17-E20 PolarHBondContact N-OE1 2.78Å; T17-E20 PolarHBondContact O-N 2.96Å; T17-E20 WeakPolarHBondContact OG1-CG 3.32Å; T17-E20 PolarHBondContact OG1-OE1 3.01Å |
| 18 | A | 96.6 | Very high | 98.2 | Very high | 117 Ų | 117 | 75.5 Ų | 75.5 | 97% | 0.967 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -5.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 19 | R | 97.7 | Very high | 98.2 | Very high | 199 Ų | 199 | 73.5 Ų | 73.5 | 75% | 0.751 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -11.9 | 173.5 | -67.5 | 179.8 | 177.4 | -110.6 | 0.3 | 112.9 | T17 G49 L50 | T17-R19 PolarHBondContact O-N 3.17Å; R19-G49 CarbonylContact O-C 3.58Å; R19-G49 WeakPolarHBondContact O-CA 3.5Å; R19-L50 HydrophobicContact CB-CD1 4.38Å; R19-L50 WeakPolarHBondContact O-CB 3.32Å; R19-L50 PolarHBondContact O-N 3.34Å |
| 20 | E | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 76 Ų | 76 | 14% | 0.136 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 130.8 | -175.8 | -68.9 | 158.8 | -128.4 | 0 | 0 | 110.6 | Y13 R16 T17 W39 L50 | Y13-E20 HydrophobicContact CE1-CB 4.46Å; Y13-E20 PolarHBondContact OH-OE2 2.86Å; R16-E20 WeakPolarHBondContact CB-OE2 3.42Å; R16-E20 PolarHBondContact N-OE2 3.01Å; T17-E20 VanDerWaalsContact CB-OE1 3.32Å; T17-E20 WeakPolarHBondContact CB-OE1 3.28Å; T17-E20 VanDerWaalsContact CG2-OE1 3.23Å; T17-E20 WeakPolarHBondContact CG2-OE1 3.41Å; T17-E20 PolarHBondContact N-OE1 2.78Å; T17-E20 PolarHBondContact O-N 2.96Å; T17-E20 WeakPolarHBondContact OG1-CG 3.32Å; T17-E20 PolarHBondContact OG1-OE1 3.01Å; E20-W39 HydrophobicContact CG-CH2 3.74Å; E20-W39 HydrophobicContact CG-CZ3 3.75Å; E20-L50 HydrophobicContact CG-CB 4.41Å |
| 21 | L | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 140.7 | 178.1 | -64.7 | -179.7 | 0 | 0 | 0 | 110.8 | Y13 F23 H44 I47 L50 I51 | Y13-L21 VanDerWaalsContact CD1-O 3.27Å; Y13-L21 WeakPolarHBondContact CD1-O 3.33Å; L21-F23 HydrophobicContact CB-CD1 4.45Å; L21-H44 HydrophobicContact CD1-CB 3.97Å; L21-I47 WeakPolarHBondContact CD1-O 3.36Å; L21-I47 HydrophobicContact CD2-CB 4.12Å; L21-I47 HydrophobicContact CD2-CG2 3.77Å; L21-L50 PolarHBondContact N-O 3.29Å; L21-I51 HydrophobicContact CB-CG1 4.37Å; L21-I51 HydrophobicContact CD1-CD1 4.02Å; L21-I51 HydrophobicContact CD1-CG1 3.83Å; L21-I51 HydrophobicContact CG-CG1 4.47Å |
| 22 | S | 98.5 | Very high | 98 | Very high | 62 Ų | 62 | 71.1 Ų | 71.1 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 136.2 | 170.2 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | Y13 G15 H44 | Y13-S22 WeakPolarHBondContact O-CA 3.26Å; G15-S22 PolarHBondContact N-OG 2.79Å; S22-H44 PolarHBondContact O-CE1 3.48Å; S22-H44 PolarHBondContact O-ND1 2.9Å |
| 23 | F | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -153.2 | 163 | -176.9 | 51.6 | -99.3 | 0 | 0 | 0 | 112.1 | A9 Y13 L21 A27 L29 I51 P52 I56 | A9-F23 HydrophobicContact CB-CD2 3.38Å; A9-F23 HydrophobicContact CB-CE2 3.62Å; A9-F23 HydrophobicContact CB-CG 4.42Å; Y13-F23 AromaticContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CE1 3.91Å; Y13-F23 HydrophobicContact CD1-CZ 4.09Å; Y13-F23 HydrophobicContact CG-CE1 4.32Å; Y13-F23 HydrophobicContact CG-CE2 4.49Å; Y13-F23 HydrophobicContact CG-CZ 4.05Å; Y13-F23 PolarHBondContact N-O 2.99Å; Y13-F23 PolarHBondContact O-N 3.39Å; L21-F23 HydrophobicContact CB-CD1 4.45Å; F23-A27 HydrophobicContact CB-CB 4.17Å; F23-L29 HydrophobicContact CB-CD2 4.15Å; F23-L29 HydrophobicContact CD1-CD1 4.21Å; F23-L29 HydrophobicContact CD1-CD2 4.11Å; F23-L29 HydrophobicContact CD2-CD1 4.21Å; F23-L29 HydrophobicContact CE1-CD1 4.19Å; F23-L29 HydrophobicContact CE2-CD1 4.17Å; F23-L29 HydrophobicContact CG-CD1 4.22Å; F23-L29 HydrophobicContact CG-CD2 4.14Å; F23-L29 HydrophobicContact CZ-CD1 4.16Å; F23-I51 HydrophobicContact CE1-CG2 3.92Å; F23-I51 HydrophobicContact CZ-CG2 4.11Å; F23-P52 HydrophobicContact CZ-CG 4.34Å; F23-I56 HydrophobicContact CE2-CG2 4.44Å; F23-I56 HydrophobicContact CZ-CG2 4.2Å |
| 24 | K | 98.6 | Very high | 97.7 | Very high | 131 Ų | 131 | 76.8 Ų | 76.8 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | trans | -103.1 | 154.4 | 178.2 | -69.2 | -57.8 | -165.6 | -179.3 | 0 | 111 | A9 D12 G26 A27 | A9-K24 VanDerWaalsContact CB-O 3.24Å; A9-K24 WeakPolarHBondContact CB-O 3.3Å; D12-K24 HydrophobicContact CB-CD 4.44Å; D12-K24 VanDerWaalsContact CG-CD 3.42Å; D12-K24 WeakPolarHBondContact OD1-CA 3.28Å; D12-K24 WeakPolarHBondContact OD1-CD 3.39Å; D12-K24 WeakPolarHBondContact OD2-CD 3.3Å; D12-K24 WeakPolarHBondContact OD2-CE 3.44Å; D12-K24 IonicContact OD2-NZ 2.75Å; D12-K24 PolarHBondContact OD2-NZ 3.4Å; K24-G26 PolarHBondContact O-N 3.43Å; K24-A27 WeakPolarHBondContact O-CB 3.4Å; K24-A27 PolarHBondContact O-N 2.88Å | ||
| 25 | K | 98.4 | Very high | 97.6 | Very high | 147 Ų | 147 | 74.2 Ų | 74.2 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134 | 169.7 | 178.7 | 174.7 | -178.1 | -178.3 | 0 | 109.8 | K10 D12 A27 | K10-K25 VanDerWaalsContact O-CD 3.24Å; K10-K25 WeakPolarHBondContact O-CD 3.49Å; K10-K25 VanDerWaalsContact O-CE 3.27Å; K10-K25 WeakPolarHBondContact O-CE 3.44Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; D12-K25 PolarHBondContact OD1-N 2.91Å; K25-A27 VanDerWaalsContact C-N 3.3Å |
| 26 | G | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 75.8 Ų | 75.8 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -2.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A9 K24 S28 | A9-G26 PolarHBondContact O-N 2.81Å; K24-G26 PolarHBondContact O-N 3.43Å; G26-S28 PolarHBondContact O-N 2.84Å |
| 27 | A | 98.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 72.4 Ų | 72.4 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | trans | -65.8 | 132.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | A9 F23 K24 K25 | A9-A27 HydrophobicContact CB-CB 4.28Å; A9-A27 PolarHBondContact N-O 3.38Å; F23-A27 HydrophobicContact CB-CB 4.17Å; K24-A27 WeakPolarHBondContact O-CB 3.4Å; K24-A27 PolarHBondContact O-N 2.88Å; K25-A27 VanDerWaalsContact C-N 3.3Å | ||
| 28 | S | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 72.7 Ų | 72.7 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.8 | 167.6 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | G26 | G26-S28 PolarHBondContact O-N 2.84Å |
| 29 | L | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.2 | -175.5 | -60.6 | 172.3 | 0 | 0 | 0 | 108.3 | A7 A9 F23 H44 I51 I56 | A7-L29 HydrophobicContact CB-CB 4.43Å; A7-L29 PolarHBondContact N-O 3.15Å; A7-L29 PolarHBondContact O-N 3.25Å; A9-L29 HydrophobicContact CB-CD1 4.12Å; F23-L29 HydrophobicContact CB-CD2 4.15Å; F23-L29 HydrophobicContact CD1-CD1 4.21Å; F23-L29 HydrophobicContact CD1-CD2 4.11Å; F23-L29 HydrophobicContact CD2-CD1 4.21Å; F23-L29 HydrophobicContact CE1-CD1 4.19Å; F23-L29 HydrophobicContact CE2-CD1 4.17Å; F23-L29 HydrophobicContact CG-CD1 4.22Å; F23-L29 HydrophobicContact CG-CD2 4.14Å; F23-L29 HydrophobicContact CZ-CD1 4.16Å; L29-H44 HydrophobicContact CD2-CB 3.59Å; L29-I51 HydrophobicContact CB-CD1 4.25Å; L29-I51 HydrophobicContact CD1-CG2 3.95Å; L29-I51 HydrophobicContact CD2-CD1 4.41Å; L29-I56 HydrophobicContact CD1-CG2 3.48Å; L29-I56 VanDerWaalsContact CD1-CG2 3.48Å |
| 30 | L | 97.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120 | 178.8 | -167.9 | 67.1 | 0 | 0 | 0 | 108.8 | P4 E6 Y32 G42 R43 | P4-L30 HydrophobicContact CB-CD1 3.64Å; P4-L30 HydrophobicContact CB-CD2 4.03Å; P4-L30 HydrophobicContact CB-CG 3.71Å; P4-L30 HydrophobicContact CG-CD1 3.95Å; P4-L30 HydrophobicContact CG-CD2 4.25Å; P4-L30 HydrophobicContact CG-CG 4.32Å; E6-L30 HydrophobicContact CG-CD1 4.44Å; L30-Y32 HydrophobicContact CD2-CE1 3.82Å; L30-Y32 HydrophobicContact CG-CE1 4.1Å; L30-G42 CarbonylContact O-C 3.55Å; L30-G42 WeakPolarHBondContact O-CA 3.47Å; L30-R43 HydrophobicContact CB-CB 4.45Å; L30-R43 PolarHBondContact N-O 3.4Å; L30-R43 VanDerWaalsContact N-O 3.09Å; L30-R43 PolarHBondContact O-N 3.28Å |
| 31 | L | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.1 | -177.1 | -44.6 | 179.6 | 0 | 0 | 0 | 110 | P4 I5 A7 W40 I51 I56 V58 | P4-L31 CarbonylContact C-O 3.49Å; P4-L31 VanDerWaalsContact CA-O 3.3Å; P4-L31 WeakPolarHBondContact CA-O 3.26Å; I5-L31 HydrophobicContact CB-CB 4.29Å; I5-L31 PolarHBondContact N-O 3.36Å; I5-L31 PolarHBondContact O-N 3.18Å; A7-L31 HydrophobicContact CB-CD1 3.76Å; A7-L31 HydrophobicContact CB-CD2 4.25Å; A7-L31 HydrophobicContact CB-CG 3.94Å; L31-W40 HydrophobicContact CB-CD2 4.17Å; L31-W40 HydrophobicContact CB-CE3 3.77Å; L31-W40 HydrophobicContact CB-CZ3 4.27Å; L31-W40 HydrophobicContact CD1-CD2 3.71Å; L31-W40 HydrophobicContact CD1-CE3 4.06Å; L31-W40 HydrophobicContact CD1-CG 3.95Å; L31-W40 HydrophobicContact CD1-CZ2 4.3Å; L31-W40 HydrophobicContact CD2-CB 4.01Å; L31-W40 HydrophobicContact CD2-CG 4.25Å; L31-W40 HydrophobicContact CG-CD2 4.41Å; L31-W40 HydrophobicContact CG-CE3 4.48Å; L31-W40 HydrophobicContact CG-CG 4.49Å; L31-I51 HydrophobicContact CD2-CB 4.46Å; L31-I51 HydrophobicContact CD2-CD1 3.69Å; L31-I51 HydrophobicContact CD2-CG2 4.32Å; L31-I56 HydrophobicContact CD1-CD1 3.7Å; L31-I56 HydrophobicContact CD2-CD1 3.9Å; L31-I56 HydrophobicContact CG-CD1 4.44Å; L31-V58 HydrophobicContact CD1-CG2 3.93Å |
| 32 | Y | 95.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -52.6 | -179.2 | -59.6 | -50.3 | 0 | 0 | 0 | 112.3 | P4 L30 E41 R43 | P4-Y32 HydrophobicContact CB-CD1 3.84Å; P4-Y32 HydrophobicContact CB-CE1 3.91Å; L30-Y32 HydrophobicContact CD2-CE1 3.82Å; L30-Y32 HydrophobicContact CG-CE1 4.1Å; Y32-E41 PolarHBondContact N-O 2.9Å; Y32-R43 HydrophobicContact CE2-CB 3.84Å; Y32-R43 WeakPolarHBondContact OH-CB 3.44Å; Y32-R43 WeakPolarHBondContact OH-CD 3.48Å; Y32-R43 PolarHBondContact OH-NE 3.37Å |
| 33 | Q | 95.1 | Very high | 97.5 | Very high | 111 Ų | 111 | 65.5 Ų | 65.5 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.2 | -178.8 | 63.1 | 174 | 15.2 | 0 | 0 | 111.9 | A35 W40 E41 | Q33-A35 PolarHBondContact O-N 3.34Å; Q33-W40 VanDerWaalsContact C-CE3 3.43Å; Q33-E41 HydrophobicContact CG-CB 3.95Å; Q33-E41 PolarHBondContact N-O 2.81Å; Q33-E41 PolarHBondContact NE2-OE2 2.99Å; Q33-E41 PolarHBondContact O-N 2.85Å |
| 34 | R | 96.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 105.1 | 174.5 | -166.1 | 63.3 | 165.2 | -106.7 | -0.5 | 108.9 | S36 D37 W40 H53 | R34-S36 WeakPolarHBondContact CD-O 3.39Å; R34-S36 WeakPolarHBondContact CG-O 3.27Å; R34-S36 PolarHBondContact NE-O 2.9Å; R34-D37 PolarHBondContact NE-O 3.26Å; R34-D37 PolarHBondContact NH2-O 2.9Å; R34-W40 HydrophobicContact CB-CE3 4.26Å; R34-W40 HydrophobicContact CB-CH2 4.4Å; R34-W40 HydrophobicContact CB-CZ3 4.16Å; R34-W40 VanDerWaalsContact CD-CE2 3.46Å; R34-W40 VanDerWaalsContact NH1-CE2 3.31Å; R34-W40 VanDerWaalsContact NH1-NE1 3.17Å; R34-H53 PolarHBondContact NH2-CD2 3.43Å; R34-H53 VanDerWaalsContact NH2-CG 3.29Å; R34-H53 PolarHBondContact NH2-NE2 3.19Å |
| 35 | A | 96.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -30.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q33 W39 L50 | Q33-A35 PolarHBondContact O-N 3.34Å; A35-W39 PolarHBondContact N-O 2.8Å; A35-L50 HydrophobicContact CB-CD2 4.16Å |
| 36 | S | 97.6 | Very high | 97.2 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 178.1 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | R34 D38 W39 | R34-S36 WeakPolarHBondContact CD-O 3.39Å; R34-S36 WeakPolarHBondContact CG-O 3.27Å; R34-S36 PolarHBondContact NE-O 2.9Å; S36-D38 PolarHBondContact O-N 3.12Å; S36-W39 PolarHBondContact N-O 3.26Å; S36-W39 PolarHBondContact O-N 2.86Å; S36-W39 VanDerWaalsContact O-N 3.12Å; S36-W39 WeakPolarHBondContact OG-CB 3.28Å; S36-W39 PolarHBondContact OG-N 3.48Å |
| 37 | D | 96.6 | Very high | 97.2 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.3 | 179.9 | -61.7 | -31.2 | 0 | 0 | 0 | 113.5 | R34 | R34-D37 PolarHBondContact NE-O 3.26Å; R34-D37 PolarHBondContact NH2-O 2.9Å |
| 38 | D | 98 | Very high | 97.1 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -10.3 | 177.9 | -76 | -55.2 | 0 | 0 | 0 | 114.5 | S36 P52 H53 Q54 | S36-D38 PolarHBondContact O-N 3.12Å; D38-P52 CarbonylContact O-C 3.51Å; D38-P52 WeakPolarHBondContact O-CA 3.5Å; D38-H53 WeakPolarHBondContact O-CB 3.33Å; D38-H53 PolarHBondContact O-N 2.92Å; D38-Q54 PolarHBondContact OD1-NE2 2.96Å |
| 39 | W | 98.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 65 Ų | 65 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.9 | -169.8 | -60.2 | 93.3 | 0 | 0 | 0 | 114.2 | Y13 E20 A35 S36 L50 P52 | Y13-W39 WeakPolarHBondContact OH-CH2 3.43Å; E20-W39 HydrophobicContact CG-CH2 3.74Å; E20-W39 HydrophobicContact CG-CZ3 3.75Å; A35-W39 PolarHBondContact N-O 2.8Å; S36-W39 PolarHBondContact N-O 3.26Å; S36-W39 PolarHBondContact O-N 2.86Å; S36-W39 VanDerWaalsContact O-N 3.12Å; S36-W39 WeakPolarHBondContact OG-CB 3.28Å; S36-W39 PolarHBondContact OG-N 3.48Å; W39-L50 HydrophobicContact CE3-CB 3.73Å; W39-L50 HydrophobicContact CZ3-CB 4.11Å; W39-P52 HydrophobicContact CE3-CB 4.04Å; W39-P52 HydrophobicContact CH2-CB 4.33Å; W39-P52 HydrophobicContact CZ3-CB 3.86Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å |
| 40 | W | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 67 Ų | 67 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.8 | 165.2 | -72.4 | 89 | 0 | 0 | 0 | 110.6 | I5 L31 Q33 R34 L50 I51 H53 I56 | I5-W40 HydrophobicContact CD1-CH2 3.92Å; I5-W40 HydrophobicContact CD1-CZ3 4.1Å; L31-W40 HydrophobicContact CB-CD2 4.17Å; L31-W40 HydrophobicContact CB-CE3 3.77Å; L31-W40 HydrophobicContact CB-CZ3 4.27Å; L31-W40 HydrophobicContact CD1-CD2 3.71Å; L31-W40 HydrophobicContact CD1-CE3 4.06Å; L31-W40 HydrophobicContact CD1-CG 3.95Å; L31-W40 HydrophobicContact CD1-CZ2 4.3Å; L31-W40 HydrophobicContact CD2-CB 4.01Å; L31-W40 HydrophobicContact CD2-CG 4.25Å; L31-W40 HydrophobicContact CG-CD2 4.41Å; L31-W40 HydrophobicContact CG-CE3 4.48Å; L31-W40 HydrophobicContact CG-CG 4.49Å; Q33-W40 VanDerWaalsContact C-CE3 3.43Å; R34-W40 HydrophobicContact CB-CE3 4.26Å; R34-W40 HydrophobicContact CB-CH2 4.4Å; R34-W40 HydrophobicContact CB-CZ3 4.16Å; R34-W40 VanDerWaalsContact CD-CE2 3.46Å; R34-W40 VanDerWaalsContact NH1-CE2 3.31Å; R34-W40 VanDerWaalsContact NH1-NE1 3.17Å; W40-L50 CarbonylContact O-C 3.56Å; W40-L50 VanDerWaalsContact O-CA 3.3Å; W40-L50 WeakPolarHBondContact O-CA 3.35Å; W40-I51 HydrophobicContact CB-CB 4.36Å; W40-I51 PolarHBondContact N-O 3.4Å; W40-I51 PolarHBondContact O-N 3.48Å; W40-H53 AromaticContact NE1-ND1 3.58Å; W40-I56 HydrophobicContact CG-CD1 4.48Å |
| 41 | E | 97.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.2 | 159 | -175.7 | 167.4 | -162.1 | 0 | 0 | 108.3 | Y32 Q33 | Y32-E41 PolarHBondContact N-O 2.9Å; Q33-E41 HydrophobicContact CG-CB 3.95Å; Q33-E41 PolarHBondContact N-O 2.81Å; Q33-E41 PolarHBondContact NE2-OE2 2.99Å; Q33-E41 PolarHBondContact O-N 2.85Å |
| 42 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -171.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L30 D48 G49 | L30-G42 CarbonylContact O-C 3.55Å; L30-G42 WeakPolarHBondContact O-CA 3.47Å; G42-D48 CarbonylContact O-C 3.59Å; G42-D48 WeakPolarHBondContact O-CA 3.3Å; G42-G49 PolarHBondContact N-O 3.49Å; G42-G49 PolarHBondContact O-N 2.96Å; G42-G49 VanDerWaalsContact O-O 3.12Å |
| 43 | R | 97.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 64.4 Ų | 64.4 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.5 | -174.7 | -176.8 | 170.5 | -74.3 | 173 | 3.4 | 112.1 | L30 Y32 I47 D48 | L30-R43 HydrophobicContact CB-CB 4.45Å; L30-R43 PolarHBondContact N-O 3.4Å; L30-R43 VanDerWaalsContact N-O 3.09Å; L30-R43 PolarHBondContact O-N 3.28Å; Y32-R43 HydrophobicContact CE2-CB 3.84Å; Y32-R43 WeakPolarHBondContact OH-CB 3.44Å; Y32-R43 WeakPolarHBondContact OH-CD 3.48Å; Y32-R43 PolarHBondContact OH-NE 3.37Å; R43-I47 VanDerWaalsContact CA-O 3.29Å; R43-I47 WeakPolarHBondContact CA-O 3.38Å; R43-D48 WeakPolarHBondContact CB-OD1 3.46Å; R43-D48 IonicContact CZ-OD1 3.62Å; R43-D48 VanDerWaalsContact CZ-OD1 3.23Å; R43-D48 IonicContact CZ-OD2 2.99Å; R43-D48 IonicContact NE-OD1 3.71Å; R43-D48 PolarHBondContact NE-OD1 2.92Å; R43-D48 IonicContact NE-OD2 2.66Å; R43-D48 VanDerWaalsContact NH2-CG 3.27Å; R43-D48 IonicContact NH2-OD1 2.79Å; R43-D48 PolarHBondContact NH2-OD1 2.89Å; R43-D48 IonicContact NH2-OD2 2.69Å; R43-D48 PolarHBondContact NH2-OD2 3.27Å |
| 44 | H | 97.9 | Very high | 97.6 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 11% | 0.111 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.9 | 169.6 | 179.3 | -129.2 | 0 | 0 | 0 | 109 | L21 S22 L29 G46 I47 | L21-H44 HydrophobicContact CD1-CB 3.97Å; S22-H44 PolarHBondContact O-CE1 3.48Å; S22-H44 PolarHBondContact O-ND1 2.9Å; L29-H44 HydrophobicContact CD2-CB 3.59Å; H44-G46 PolarHBondContact O-N 3.48Å; H44-G46 VanDerWaalsContact O-N 3.1Å; H44-I47 PolarHBondContact N-O 3.48Å; H44-I47 PolarHBondContact O-N 2.91Å |
| 45 | N | 95.5 | Very high | 97.7 | Very high | 139 Ų | 139 | 63.6 Ų | 63.6 | 74% | 0.743 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 35.5 | -179.6 | -62.3 | -21.7 | 0 | 0 | 0 | 114.7 | I47 | N45-I47 VanDerWaalsContact C-N 3.33Å; N45-I47 PolarHBondContact O-N 3.37Å |
| 46 | G | 95.6 | Very high | 97.8 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -2.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | H44 | H44-G46 PolarHBondContact O-N 3.48Å; H44-G46 VanDerWaalsContact O-N 3.1Å |
| 47 | I | 97.6 | Very high | 97.7 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 57% | 0.569 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.8 | -179.7 | -51.9 | 176.6 | 0 | 0 | 0 | 109.6 | L21 R43 H44 N45 | L21-I47 WeakPolarHBondContact CD1-O 3.36Å; L21-I47 HydrophobicContact CD2-CB 4.12Å; L21-I47 HydrophobicContact CD2-CG2 3.77Å; R43-I47 VanDerWaalsContact CA-O 3.29Å; R43-I47 WeakPolarHBondContact CA-O 3.38Å; H44-I47 PolarHBondContact N-O 3.48Å; H44-I47 PolarHBondContact O-N 2.91Å; N45-I47 VanDerWaalsContact C-N 3.33Å; N45-I47 PolarHBondContact O-N 3.37Å |
| 48 | D | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 145.2 | 176 | -63.8 | -35.8 | 0 | 0 | 0 | 112.3 | G42 R43 | G42-D48 CarbonylContact O-C 3.59Å; G42-D48 WeakPolarHBondContact O-CA 3.3Å; R43-D48 WeakPolarHBondContact CB-OD1 3.46Å; R43-D48 IonicContact CZ-OD1 3.62Å; R43-D48 VanDerWaalsContact CZ-OD1 3.23Å; R43-D48 IonicContact CZ-OD2 2.99Å; R43-D48 IonicContact NE-OD1 3.71Å; R43-D48 PolarHBondContact NE-OD1 2.92Å; R43-D48 IonicContact NE-OD2 2.66Å; R43-D48 VanDerWaalsContact NH2-CG 3.27Å; R43-D48 IonicContact NH2-OD1 2.79Å; R43-D48 PolarHBondContact NH2-OD1 2.89Å; R43-D48 IonicContact NH2-OD2 2.69Å; R43-D48 PolarHBondContact NH2-OD2 3.27Å |
| 49 | G | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -167 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | R19 G42 | R19-G49 CarbonylContact O-C 3.58Å; R19-G49 WeakPolarHBondContact O-CA 3.5Å; G42-G49 PolarHBondContact N-O 3.49Å; G42-G49 PolarHBondContact O-N 2.96Å; G42-G49 VanDerWaalsContact O-O 3.12Å |
| 50 | L | 98.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.1 | -177.5 | -60.4 | 179.7 | 0 | 0 | 0 | 111.5 | R19 E20 L21 A35 W39 W40 | R19-L50 HydrophobicContact CB-CD1 4.38Å; R19-L50 WeakPolarHBondContact O-CB 3.32Å; R19-L50 PolarHBondContact O-N 3.34Å; E20-L50 HydrophobicContact CG-CB 4.41Å; L21-L50 PolarHBondContact N-O 3.29Å; A35-L50 HydrophobicContact CB-CD2 4.16Å; W39-L50 HydrophobicContact CE3-CB 3.73Å; W39-L50 HydrophobicContact CZ3-CB 4.11Å; W40-L50 CarbonylContact O-C 3.56Å; W40-L50 VanDerWaalsContact O-CA 3.3Å; W40-L50 WeakPolarHBondContact O-CA 3.35Å |
| 51 | I | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.6 | 179.9 | -60.9 | 171.9 | 0 | 0 | 0 | 107.8 | L21 F23 L29 L31 W40 H53 I56 | L21-I51 HydrophobicContact CB-CG1 4.37Å; L21-I51 HydrophobicContact CD1-CD1 4.02Å; L21-I51 HydrophobicContact CD1-CG1 3.83Å; L21-I51 HydrophobicContact CG-CG1 4.47Å; F23-I51 HydrophobicContact CE1-CG2 3.92Å; F23-I51 HydrophobicContact CZ-CG2 4.11Å; L29-I51 HydrophobicContact CB-CD1 4.25Å; L29-I51 HydrophobicContact CD1-CG2 3.95Å; L29-I51 HydrophobicContact CD2-CD1 4.41Å; L31-I51 HydrophobicContact CD2-CB 4.46Å; L31-I51 HydrophobicContact CD2-CD1 3.69Å; L31-I51 HydrophobicContact CD2-CG2 4.32Å; W40-I51 HydrophobicContact CB-CB 4.36Å; W40-I51 PolarHBondContact N-O 3.4Å; W40-I51 PolarHBondContact O-N 3.48Å; I51-H53 PolarHBondContact O-N 3.09Å; I51-I56 HydrophobicContact CG2-CD1 3.99Å; I51-I56 HydrophobicContact CG2-CG2 3.61Å |
| 52 | P | 98.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.2 | -179.2 | 25.7 | -30.2 | 0 | 0 | 0 | 111.1 | Y13 F23 D38 W39 Q54 Y55 | Y13-P52 HydrophobicContact CD1-CG 3.8Å; Y13-P52 HydrophobicContact CD2-CG 3.87Å; Y13-P52 HydrophobicContact CE1-CG 3.68Å; Y13-P52 HydrophobicContact CE2-CG 3.75Å; Y13-P52 HydrophobicContact CG-CG 3.89Å; F23-P52 HydrophobicContact CZ-CG 4.34Å; D38-P52 CarbonylContact O-C 3.51Å; D38-P52 WeakPolarHBondContact O-CA 3.5Å; W39-P52 HydrophobicContact CE3-CB 4.04Å; W39-P52 HydrophobicContact CH2-CB 4.33Å; W39-P52 HydrophobicContact CZ3-CB 3.86Å; W39-P52 HydrophobicContact CZ3-CG 4.14Å; P52-Q54 PolarHBondContact O-N 3.01Å; P52-Y55 HydrophobicContact CB-CD2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 3.92Å; P52-Y55 HydrophobicContact CG-CG 4.09Å; P52-Y55 PolarHBondContact O-N 3.37Å |
| 53 | H | 98.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -55.2 | -38.2 | -179.1 | 175.5 | 50.6 | 0 | 0 | 0 | 112.3 | R34 D38 W40 I51 Y55 I56 | R34-H53 PolarHBondContact NH2-CD2 3.43Å; R34-H53 VanDerWaalsContact NH2-CG 3.29Å; R34-H53 PolarHBondContact NH2-NE2 3.19Å; D38-H53 WeakPolarHBondContact O-CB 3.33Å; D38-H53 PolarHBondContact O-N 2.92Å; W40-H53 AromaticContact NE1-ND1 3.58Å; I51-H53 PolarHBondContact O-N 3.09Å; H53-Y55 PolarHBondContact O-N 3.31Å; H53-I56 WeakPolarHBondContact O-CG1 3.29Å; H53-I56 PolarHBondContact O-N 2.92Å |
| 54 | Q | 98.2 | Very high | 87.5 | Confident | 120 Ų | 120 | 78 Ų | 78 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -65.3 | -8.2 | 179.5 | -60.3 | -171.2 | 17.5 | 0 | 0 | 114.3 | K10 D38 P52 | K10-Q54 WeakPolarHBondContact CE-O 3.02Å; K10-Q54 PolarHBondContact NZ-O 3.1Å; D38-Q54 PolarHBondContact OD1-NE2 2.96Å; P52-Q54 PolarHBondContact O-N 3.01Å |
| 55 | Y | 98.6 | Very high | 85.2 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -109.6 | -2.2 | -179.5 | -77.5 | -109.4 | 0 | 0 | 0 | 114.1 | K10 F11 D12 Y13 P52 H53 | K10-Y55 WeakPolarHBondContact CG-O 3.37Å; K10-Y55 PolarHBondContact N-O 2.89Å; F11-Y55 HydrophobicContact CB-CD1 3.82Å; F11-Y55 HydrophobicContact CB-CE1 4.17Å; F11-Y55 HydrophobicContact CD2-CD1 4.2Å; F11-Y55 HydrophobicContact CD2-CE1 4.46Å; D12-Y55 WeakPolarHBondContact O-CE1 3.44Å; Y13-Y55 AromaticContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD1 3.72Å; Y13-Y55 HydrophobicContact CD2-CD2 4.2Å; Y13-Y55 AromaticContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE1 3.69Å; Y13-Y55 HydrophobicContact CD2-CE2 4.17Å; Y13-Y55 AromaticContact CD2-CG 4Å; Y13-Y55 HydrophobicContact CD2-CG 4Å; Y13-Y55 AromaticContact CD2-CZ 3.93Å; Y13-Y55 HydrophobicContact CE2-CE2 4.37Å; Y13-Y55 HydrophobicContact CG-CD1 4.17Å; Y13-Y55 HydrophobicContact CG-CG 4.43Å; P52-Y55 HydrophobicContact CB-CD2 4.05Å; P52-Y55 HydrophobicContact CG-CD2 3.92Å; P52-Y55 HydrophobicContact CG-CG 4.09Å; P52-Y55 PolarHBondContact O-N 3.37Å; H53-Y55 PolarHBondContact O-N 3.31Å |
| 56 | I | 98.1 | Very high | 82.9 | Confident | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.026 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 165.1 | -176.3 | 67 | 177.8 | 0 | 0 | 0 | 111.7 | A7 I8 K10 F23 L29 L31 W40 I51 H53 | A7-I56 HydrophobicContact CB-CB 4.41Å; A7-I56 HydrophobicContact CB-CD1 4.15Å; I8-I56 CarbonylContact O-C 3.55Å; I8-I56 WeakPolarHBondContact O-CA 3.5Å; K10-I56 PolarHBondContact NZ-O 3.32Å; K10-I56 VanDerWaalsContact NZ-O 3.16Å; F23-I56 HydrophobicContact CE2-CG2 4.44Å; F23-I56 HydrophobicContact CZ-CG2 4.2Å; L29-I56 HydrophobicContact CD1-CG2 3.48Å; L29-I56 VanDerWaalsContact CD1-CG2 3.48Å; L31-I56 HydrophobicContact CD1-CD1 3.7Å; L31-I56 HydrophobicContact CD2-CD1 3.9Å; L31-I56 HydrophobicContact CG-CD1 4.44Å; W40-I56 HydrophobicContact CG-CD1 4.48Å; I51-I56 HydrophobicContact CG2-CD1 3.99Å; I51-I56 HydrophobicContact CG2-CG2 3.61Å; H53-I56 WeakPolarHBondContact O-CG1 3.29Å; H53-I56 PolarHBondContact O-N 2.92Å |
| 57 | V | 97.3 | Very high | 80.3 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.7 | 164.1 | 176 | 0 | 0 | 0 | 0 | 106.2 | A7 I8 K10 | A7-V57 CarbonylContact C-O 3.36Å; A7-V57 WeakPolarHBondContact CA-O 3.48Å; A7-V57 WeakPolarHBondContact CB-O 3.39Å; I8-V57 PolarHBondContact N-O 2.96Å; I8-V57 PolarHBondContact O-N 3.49Å; K10-V57 HydrophobicContact CB-CG2 4.2Å; K10-V57 HydrophobicContact CD-CG2 3.94Å |
| 58 | V | 95.8 | Very high | 78 | Confident | 43 Ų | 43 | 91.2 Ų | 91.2 | 26% | 0.261 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.4 | 173.1 | 171.2 | 0 | 0 | 0 | 0 | 108.5 | I5 L31 | I5-V58 HydrophobicContact CG2-CG1 3.46Å; I5-V58 VanDerWaalsContact CG2-CG1 3.46Å; L31-V58 HydrophobicContact CD1-CG2 3.93Å |
| 59 | Q | 92.3 | Very high | 75.5 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | trans | -95.9 | 106.8 | 168.9 | -62.6 | -171.6 | 115.2 | 0 | 0 | 107.6 | E6 I8 T61 | E6-Q59 HydrophobicContact CB-CB 4.35Å; E6-Q59 PolarHBondContact O-N 2.77Å; E6-Q59 PolarHBondContact OE2-NE2 3.16Å; I8-Q59 HydrophobicContact CG1-CG 4.14Å; Q59-T61 PolarHBondContact O-N 3.31Å | ||
| 60 | D | 79.1 | Confident | 72.7 | Confident | 144 Ų | 144 | 97.4 Ų | 97.4 | 77% | 0.77 | 54% | 0.535 | S | S | * | . | trans | -73.6 | 116 | 170.5 | -60.8 | -35.8 | 0 | 0 | 0 | 108.1 | E62 | D60-E62 PolarHBondContact O-N 3.47Š| ||
| 61 | T | 60.8 | Low | 70.3 | Confident | 124 Ų | 124 | 101 Ų | 101 | 76% | 0.761 | 56% | 0.561 | S | S | * | * | trans | -68.6 | 117.9 | 166.7 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | Q59 D63 | Q59-T61 PolarHBondContact O-N 3.31Å; T61-D63 PolarHBondContact O-N 2.87Å | ||
| 62 | E | 51 | Low | 67.4 | Low | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -64.5 | 112.7 | -172.1 | 60.2 | -161.9 | 150.7 | 0 | 0 | 113.2 | D60 | D60-E62 PolarHBondContact O-N 3.47Š|
| 63 | D | 47.3 | Very low | 64.8 | Low | 160 Ų | 160 | 116.4 Ų | 116.4 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | 162.8 | 108.4 | 115.7 | -91.9 | -30.5 | 0 | 0 | 0 | 111.8 | T61 | T61-D63 PolarHBondContact O-N 2.87Š| |||
| 64 | G | 43.5 | Very low | 62 | Low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | trans | 174.5 | 21.9 | -179 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 65 | V | 48.4 | Very low | 59.8 | Low | 140 Ų | 140 | 122 Ų | 122 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | trans | 53.6 | 105.5 | 165.3 | 170.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 66 | V | 47.1 | Very low | 57.3 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | -168.2 | 102.3 | 104.6 | 167.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 67 | E | 42.4 | Very low | 54.3 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | trans | 51.2 | 115.4 | 130.6 | -153.6 | 158.3 | -176 | 0 | 0 | 122.9 | ||||
| 68 | R | 47.7 | Very low | 51.6 | Low | 203 Ų | 203 | 135 Ų | 135 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 71.1 | 89.6 | 151 | -69.1 | 169.4 | -153.6 | -104.2 | -1.9 | 120.1 | ||||
| 69 | S | 45.2 | Very low | 48.8 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | -126.8 | 80.4 | 125.9 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | P71 | S69-P71 WeakPolarHBondContact O-CD 3.3Š| |||
| 70 | S | 39.5 | Very low | 46.1 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -68.9 | 121.1 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 71 | P | 48.8 | Very low | 44.9 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -85.1 | 116.7 | 177.3 | 32.2 | -30.5 | 0 | 0 | 0 | 110.2 | S69 | S69-P71 WeakPolarHBondContact O-CD 3.3Š| ||
| 72 | K | 36.7 | Very low | 44.1 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -160.4 | 89.3 | 165.7 | -130 | 162.9 | -172.6 | 167.5 | 0 | 115.3 | ||||
| 73 | S | 44.3 | Very low | 43.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -157.6 | 91.8 | 143.5 | 58.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 74 | E | 39.2 | Very low | 43.5 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 164.2 | 168.2 | -173 | -178.6 | 111.9 | 0 | 0 | 109.8 | ||||
| 75 | I | 52.2 | Low | 43.4 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | 88.2 | 95.6 | 166.8 | -136.6 | 68.1 | 0 | 0 | 0 | 118.5 | ||||
| 76 | E | 45.8 | Very low | 43.3 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | 9.9 | 133.2 | 129.7 | -50.4 | 179.5 | 149.6 | 0 | 0 | 118.6 | |||||
| 77 | V | 36.9 | Very low | 43 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | -178.7 | 118.1 | 107 | 148.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 78 | I | 40.3 | Very low | 43.2 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 24.7 | 134.6 | 137.6 | -22.6 | 167.8 | 0 | 0 | 0 | 120.4 | ||||
| 79 | S | 37.3 | Very low | 43.1 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 105.9 | 116.1 | 147.2 | -35 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 80 | E | 34.5 | Very low | 43.3 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 27.4 | 136.9 | 139.5 | -148.7 | 169.1 | 162.3 | 0 | 0 | 122.3 | ||||
| 81 | P | 54.9 | Low | 43.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 154.3 | 179.1 | 32.9 | -38 | 0 | 0 | 0 | 113.8 | ||||
| 82 | P | 42.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -145.5 | 141.1 | 113.5 | 35.4 | -20 | 0 | 0 | 0 | 116.4 | |||||
| 83 | E | 42.3 | Very low | 43.6 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | 38.5 | 139.3 | 127.9 | -47.8 | -167.1 | 150 | 0 | 0 | 123.3 | |||||
| 84 | E | 42.6 | Very low | 43.5 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 46.8 | 110.3 | 156.3 | -61.6 | -159.6 | 127.1 | 0 | 0 | 121.6 | ||||
| 85 | K | 43 | Very low | 44.3 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | -172.3 | 139.3 | 97.1 | -119.8 | 169.1 | 179.1 | -71 | 0 | 115 | |||||
| 86 | V | 45.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 134.3 | 167 | 175.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 87 | T | 40.1 | Very low | 45 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -149.8 | 108.2 | 145.5 | -70.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 88 | A | 46.5 | Very low | 45.9 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -71.5 | 134.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | R | 46.5 | Very low | 47.1 | Very low | 239 Ų | 239 | 123.8 Ų | 123.8 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -131.7 | 115.3 | 152.3 | -94 | -172.6 | 174.1 | 174.1 | 0 | 109.5 | G91 | R89-G91 PolarHBondContact O-N 3.44Š| ||
| 90 | A | 48.4 | Very low | 49 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A92 | A90-A92 PolarHBondContact O-N 3.03Š|
| 91 | G | 40.2 | Very low | 50.6 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | R89 S93 | R89-G91 PolarHBondContact O-N 3.44Å; G91-S93 PolarHBondContact O-N 3.34Å |
| 92 | A | 46.7 | Very low | 51.4 | Low | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A90 C94 | A90-A92 PolarHBondContact O-N 3.03Å; A92-C94 PolarHBondContact O-N 2.99Å |
| 93 | S | 45.6 | Very low | 52.9 | Low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -66.6 | 112.9 | 168.2 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | G91 P95 | G91-S93 PolarHBondContact O-N 3.34Å; S93-P95 WeakPolarHBondContact O-CD 3.35Å | ||
| 94 | C | 41.7 | Very low | 54.5 | Low | 100 Ų | 100 | 117 Ų | 117 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | trans | -78.4 | 114.8 | 173.1 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | A92 S96 | A92-C94 PolarHBondContact O-N 2.99Å; C94-S96 PolarHBondContact O-N 2.87Å | ||
| 95 | P | 56.1 | Low | 56.2 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 74% | 0.74 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 14.8 | -166.3 | 32.5 | -37.4 | 0 | 0 | 0 | 114.8 | S93 H99 | S93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-H99 PolarHBondContact O-CE1 3.26Å |
| 96 | S | 58.7 | Low | 57.6 | Low | 117 Ų | 117 | 106.7 Ų | 106.7 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 15.7 | -167.4 | -165.2 | 0 | 0 | 0 | 0 | 115.5 | C94 | C94-S96 PolarHBondContact O-N 2.87Š|
| 97 | G | 53.8 | Low | 58.7 | Low | 69 Ų | 69 | 105.8 Ų | 105.8 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -147.2 | -7.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 98 | G | 56.7 | Low | 60.2 | Low | 30 Ų | 30 | 103.8 Ų | 103.8 | 31% | 0.309 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -100.1 | -37 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V100 A101 D102 | G98-V100 VanDerWaalsContact C-N 3.27Å; G98-V100 PolarHBondContact O-N 3.15Å; G98-A101 PolarHBondContact O-N 3.09Å; G98-D102 PolarHBondContact O-N 3.02Å |
| 99 | H | 65.5 | Low | 61.2 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -53 | -32.6 | -160.3 | -57.6 | 109.3 | 0 | 0 | 0 | 116.3 | P95 D102 I103 | P95-H99 PolarHBondContact O-CE1 3.26Å; H99-D102 PolarHBondContact N-OD2 2.76Å; H99-D102 PolarHBondContact O-N 2.77Å; H99-I103 HydrophobicContact CB-CD1 4.49Å; H99-I103 VanDerWaalsContact O-CB 3.29Å; H99-I103 WeakPolarHBondContact O-CB 3.21Å; H99-I103 VanDerWaalsContact O-CD1 3.29Å; H99-I103 WeakPolarHBondContact O-CD1 3.48Å; H99-I103 WeakPolarHBondContact O-CG1 3.48Å; H99-I103 PolarHBondContact O-N 2.95Å |
| 100 | V | 75.4 | Confident | 62 | Low | 124 Ų | 124 | 99.3 Ų | 99.3 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | G98 Y104 | G98-V100 VanDerWaalsContact C-N 3.27Å; G98-V100 PolarHBondContact O-N 3.15Å; V100-Y104 WeakPolarHBondContact O-CB 3.21Å; V100-Y104 PolarHBondContact O-N 2.99Å |
| 101 | A | 69.9 | Low | 62.5 | Low | 62 Ų | 62 | 99.3 Ų | 99.3 | 51% | 0.512 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G98 I103 Y104 L105 | G98-A101 PolarHBondContact O-N 3.09Å; A101-I103 PolarHBondContact O-N 2.77Å; A101-Y104 PolarHBondContact O-N 3.25Å; A101-L105 PolarHBondContact O-N 2.69Å |
| 102 | D | 71.1 | Confident | 63.2 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 51% | 0.508 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 177.8 | -54.9 | -41.7 | 0 | 0 | 0 | 111.6 | G98 H99 A106 | G98-D102 PolarHBondContact O-N 3.02Å; H99-D102 PolarHBondContact N-OD2 2.76Å; H99-D102 PolarHBondContact O-N 2.77Å; D102-A106 VanDerWaalsContact O-CB 3.25Å; D102-A106 WeakPolarHBondContact O-CB 3.23Å; D102-A106 PolarHBondContact O-N 3.41Å |
| 103 | I | 74.2 | Confident | 63.4 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 59% | 0.585 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.6 | -41.8 | 174.8 | -71.4 | 163 | 0 | 0 | 0 | 110.8 | H99 A101 A106 N107 | H99-I103 HydrophobicContact CB-CD1 4.49Å; H99-I103 VanDerWaalsContact O-CB 3.29Å; H99-I103 WeakPolarHBondContact O-CB 3.21Å; H99-I103 VanDerWaalsContact O-CD1 3.29Å; H99-I103 WeakPolarHBondContact O-CD1 3.48Å; H99-I103 WeakPolarHBondContact O-CG1 3.48Å; H99-I103 PolarHBondContact O-N 2.95Å; A101-I103 PolarHBondContact O-N 2.77Å; I103-A106 PolarHBondContact O-N 2.75Å; I103-N107 VanDerWaalsContact O-CB 3.31Å; I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 2.71Å |
| 104 | Y | 76.7 | Confident | 63.8 | Low | 162 Ų | 162 | 106.8 Ų | 106.8 | 64% | 0.635 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.9 | -46.2 | -179.6 | -156 | -100.4 | 0 | 0 | 0 | 111.5 | V100 A101 N107 I108 | V100-Y104 WeakPolarHBondContact O-CB 3.21Å; V100-Y104 PolarHBondContact O-N 2.99Å; A101-Y104 PolarHBondContact O-N 3.25Å; Y104-N107 PolarHBondContact O-N 2.85Å; Y104-I108 HydrophobicContact CD1-CD1 3.62Å; Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.76Å; Y104-I108 HydrophobicContact CE1-CG1 4.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.31Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å |
| 105 | L | 78.4 | Confident | 64.1 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.6 | -44.6 | 173.6 | -103.2 | 63.6 | 0 | 0 | 0 | 112.3 | A101 N107 I108 N109 | A101-L105 PolarHBondContact O-N 2.69Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 2.87Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-N109 PolarHBondContact O-N 2.82Å; L105-N109 VanDerWaalsContact O-N 3.07Å |
| 106 | A | 71.4 | Confident | 63.9 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 41% | 0.405 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.6 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | D102 I103 N110 | D102-A106 VanDerWaalsContact O-CB 3.25Å; D102-A106 WeakPolarHBondContact O-CB 3.23Å; D102-A106 PolarHBondContact O-N 3.41Å; I103-A106 PolarHBondContact O-N 2.75Å; A106-N110 PolarHBondContact O-N 2.84Å; A106-N110 VanDerWaalsContact O-N 3.1Å; A106-N110 PolarHBondContact O-ND2 2.76Å |
| 107 | N | 69.7 | Low | 63.3 | Low | 108 Ų | 108 | 111 Ų | 111 | 58% | 0.578 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.2 | -38.6 | 179 | -162 | 53.7 | 0 | 0 | 0 | 112.2 | I103 Y104 L105 N110 N111 | I103-N107 VanDerWaalsContact O-CB 3.31Å; I103-N107 WeakPolarHBondContact O-CB 3.32Å; I103-N107 PolarHBondContact O-N 2.71Å; Y104-N107 PolarHBondContact O-N 2.85Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 2.87Å; N107-N110 PolarHBondContact O-N 3.23Å; N107-N111 WeakPolarHBondContact O-CB 3.38Å; N107-N111 PolarHBondContact O-N 2.8Å; N107-N111 VanDerWaalsContact O-N 3.07Å |
| 108 | I | 71.1 | Confident | 62.7 | Low | 88 Ų | 88 | 116.7 Ų | 116.7 | 45% | 0.451 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.9 | -48.3 | 173.4 | -65 | 160.4 | 0 | 0 | 0 | 110.5 | Y104 L105 N110 N111 L112 | Y104-I108 HydrophobicContact CD1-CD1 3.62Å; Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CD1 3.76Å; Y104-I108 HydrophobicContact CE1-CG1 4.45Å; Y104-I108 VanDerWaalsContact O-CG1 3.31Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å; L105-I108 PolarHBondContact O-N 3.37Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 2.89Å; I108-N111 PolarHBondContact O-N 2.93Å; I108-L112 PolarHBondContact O-N 3.1Å; I108-L112 VanDerWaalsContact O-N 3.16Å |
| 109 | N | 68.3 | Low | 61.9 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.1 | -31.4 | -179.7 | -81.4 | -2.6 | 0 | 0 | 0 | 113.6 | L105 | L105-N109 PolarHBondContact O-N 2.82Å; L105-N109 VanDerWaalsContact O-N 3.07Å |
| 110 | N | 63 | Low | 60.7 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.4 | -33.7 | 174 | -81.2 | -77.7 | 0 | 0 | 0 | 112.5 | A106 N107 I108 H113 | A106-N110 PolarHBondContact O-N 2.84Å; A106-N110 VanDerWaalsContact O-N 3.1Å; A106-N110 PolarHBondContact O-ND2 2.76Å; N107-N110 PolarHBondContact O-N 3.23Å; I108-N110 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 2.89Å; N110-H113 PolarHBondContact O-N 2.98Å |
| 111 | N | 57.6 | Low | 59.1 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 56% | 0.556 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 179.9 | -151.2 | 3.6 | 0 | 0 | 0 | 111.5 | N107 I108 H113 L114 | N107-N111 WeakPolarHBondContact O-CB 3.38Å; N107-N111 PolarHBondContact O-N 2.8Å; N107-N111 VanDerWaalsContact O-N 3.07Å; I108-N111 PolarHBondContact O-N 2.93Å; N111-H113 PolarHBondContact O-N 3.49Å; N111-H113 VanDerWaalsContact O-N 3.14Å; N111-L114 PolarHBondContact O-N 2.98Å |
| 112 | L | 54.6 | Low | 57.5 | Low | 150 Ų | 150 | 126.1 Ų | 126.1 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -16.7 | 176.9 | -162.6 | 70.5 | 0 | 0 | 0 | 114 | I108 | I108-L112 PolarHBondContact O-N 3.1Å; I108-L112 VanDerWaalsContact O-N 3.16Å |
| 113 | H | 51.8 | Low | 56 | Low | 162 Ų | 162 | 130.8 Ų | 130.8 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -0.3 | -177 | -149.1 | 82.8 | 0 | 0 | 0 | 114.4 | N110 N111 | N110-H113 PolarHBondContact O-N 2.98Å; N111-H113 PolarHBondContact O-N 3.49Å; N111-H113 VanDerWaalsContact O-N 3.14Å |
| 114 | L | 53.9 | Low | 54.2 | Low | 133 Ų | 133 | 134 Ų | 134 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -24.2 | -177.9 | -166.7 | 54.6 | 0 | 0 | 0 | 113.4 | N111 N116 | N111-L114 PolarHBondContact O-N 2.98Å; L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.27Å; L114-N116 VanDerWaalsContact O-N 3.13Å |
| 115 | D | 48.1 | Very low | 52.4 | Low | 130 Ų | 130 | 137.1 Ų | 137.1 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 41.2 | -173.8 | -67 | -21.3 | 0 | 0 | 0 | 114 | ||
| 116 | N | 51.8 | Low | 50.4 | Low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172 | 50.7 | 162.3 | -102.2 | -38.4 | 0 | 0 | 0 | 116.8 | L114 | L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.27Å; L114-N116 VanDerWaalsContact O-N 3.13Å |
| 117 | T | 47.2 | Very low | 49 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -156.6 | 139.6 | 151.9 | -10.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 118 | K | 40.7 | Very low | 47.5 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -72.2 | 138.3 | 175 | -58.7 | 172.2 | -176.4 | 175.1 | 0 | 110.5 | V120 | K118-V120 PolarHBondContact O-N 2.94Å; K118-V120 VanDerWaalsContact O-N 3.17Å | ||
| 119 | P | 40.6 | Very low | 45.6 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -76 | 105.7 | 177.8 | 29.9 | -33.5 | 0 | 0 | 0 | 111.5 | ||||
| 120 | V | 39 | Very low | 44.4 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -86.4 | 132.6 | 163.5 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | K118 T122 | K118-V120 PolarHBondContact O-N 2.94Å; K118-V120 VanDerWaalsContact O-N 3.17Å; V120-T122 PolarHBondContact O-N 2.87Å | ||
| 121 | T | 41.8 | Very low | 43 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -74.2 | 120 | -175.4 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 122 | T | 36.3 | Very low | 41.7 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 114.2 | 150.1 | -42.9 | 0 | 0 | 0 | 0 | 111 | V120 | V120-T122 PolarHBondContact O-N 2.87Š| ||
| 123 | K | 40.8 | Very low | 41 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 127.9 | 168.7 | -62.9 | 173 | 179.7 | 173.1 | 0 | 108.6 | ||||
| 124 | Q | 35.4 | Very low | 40.4 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | -150.5 | 155.3 | 124.7 | -96 | -41.3 | -28.3 | 0 | 0 | 112.7 | |||||
| 125 | R | 39.6 | Very low | 39.5 | Very low | 227 Ų | 227 | 154.2 Ų | 154.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -128.9 | 114.8 | -157.5 | 175 | -162.6 | -155.2 | 171.9 | 7.2 | 109.9 | ||||
| 126 | K | 35.4 | Very low | 39 | Very low | 206 Ų | 206 | 153.2 Ų | 153.2 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -168 | 116.3 | 143.9 | -114.2 | 173.2 | 180 | -175.8 | 0 | 113.8 | ||||
| 127 | R | 43.2 | Very low | 38.1 | Very low | 201 Ų | 201 | 155.5 Ų | 155.5 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 147.3 | 158.6 | 171.3 | 178.2 | 170.4 | 140.2 | -2.8 | 108.7 | E129 | R127-E129 HydrophobicContact CG-CB 4.29Å; R127-E129 IonicContact NE-OE2 3.64Å; R127-E129 IonicContact NH2-OE2 3.95Å | ||
| 128 | P | 36.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | -134.9 | 115.5 | 124.1 | 32.7 | -19.9 | 0 | 0 | 0 | 109.1 | |||||
| 129 | E | 31.7 | Very low | 37 | Very low | 147 Ų | 147 | 156 Ų | 156 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | 55.7 | 112.7 | 72.5 | -162.3 | 153.8 | 158.6 | 0 | 0 | 114.8 | R127 | R127-E129 HydrophobicContact CG-CB 4.29Å; R127-E129 IonicContact NE-OE2 3.64Å; R127-E129 IonicContact NH2-OE2 3.95Å | |||
| 130 | S | 44.2 | Very low | 36.4 | Very low | 126 Ų | 126 | 156.3 Ų | 156.3 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 132.5 | -179.5 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 131 | G | 32.3 | Very low | 35.9 | Very low | 73 Ų | 73 | 153.8 Ų | 153.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 86.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 132 | S | 30.6 | Very low | 35.8 | Very low | 103 Ų | 103 | 156.6 Ų | 156.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 56 | 108.2 | 126.1 | -145.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 133 | I | 40.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 65% | 0.651 | 78% | 0.776 | S | S | * | * | trans | 80.1 | 132.3 | 130.1 | -65 | 175.4 | 0 | 0 | 0 | 121.4 | ||||
| 134 | R | 38.8 | Very low | 35.4 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 92.6 | 130.7 | 150.7 | -92.2 | 173.8 | -72.7 | -122.6 | 3.1 | 122.2 | ||||
| 135 | K | 35.8 | Very low | 35.3 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 114.6 | 149.5 | -69.3 | -172.4 | 172.3 | -173.5 | 0 | 118.3 | ||||
| 136 | T | 37.3 | Very low | 35 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | 62.3 | 108 | 71.8 | 67.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 137 | F | 31.7 | Very low | 34.9 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | -178.5 | -179.5 | 114.4 | -101.7 | -73.9 | 0 | 0 | 0 | 111.6 | |||||
| 138 | R | 34.8 | Very low | 34.6 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | -111.8 | -174.8 | -163.9 | -68.1 | 173.5 | 163.6 | -109.6 | 1.6 | 113.3 | ||||
| 139 | S | 30.4 | Very low | 34.6 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 79.9 | 150.6 | 165.1 | -78.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 140 | D | 28.1 | Very low | 34.5 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -160.3 | 134 | -7 | -104.9 | -40.2 | 0 | 0 | 0 | 106.9 | ||||
| 141 | S | 29.6 | Very low | 34 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | 102.7 | 159.9 | 85.9 | 83.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 142 | H | 38.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | trans | 69 | 133.5 | -172.8 | -41.5 | -74.5 | 0 | 0 | 0 | 115.6 | ||||
| 143 | G | 29.2 | Very low | 34.3 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 160.9 | 158.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 144 | L | 39.5 | Very low | 34.9 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | cis | -157.3 | -170 | 0.1 | -82.3 | 174.8 | 0 | 0 | 0 | 109.1 | ||||
| 145 | S | 32.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 78.1 | 94.1 | 170.1 | -160.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 146 | S | 34.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 68.4 | 134.7 | 63.4 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 147 | S | 32.5 | Very low | 34.6 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | -170.5 | 158.5 | -5.1 | 38.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 148 | L | 36.4 | Very low | 34.6 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | 177.3 | 145.6 | 77.7 | -82.8 | 170.6 | 0 | 0 | 0 | 111.4 | |||||
| 149 | T | 37.7 | Very low | 34.5 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 55.3 | 144.3 | 145.8 | 59.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 150 | D | 28.2 | Very low | 34.5 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -147.7 | -166.2 | 6 | -160.5 | 2.6 | 0 | 0 | 0 | 111.9 | ||||
| 151 | S | 35.5 | Very low | 35.2 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -119.6 | 148.2 | -144.8 | -46.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 152 | S | 34.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -169.6 | 135.1 | 136.4 | 40.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 153 | S | 34.8 | Very low | 35.5 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -124.7 | 175.9 | 171.2 | -107.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 154 | P | 51.8 | Low | 35.6 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | cis | -150.7 | 171.3 | 31.5 | 41.8 | -20.9 | 0 | 0 | 0 | 119.8 | ||||
| 155 | G | 33.2 | Very low | 35.5 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 82 | 147.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 156 | V | 39 | Very low | 36.5 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | cis | -154.9 | 166.8 | 0.5 | -69.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 157 | G | 33.3 | Very low | 36.4 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 159.4 | 95.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 158 | A | 33.5 | Very low | 36.5 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 64.3 | 165.9 | 176 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 159 | S | 31.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | cis | 170.8 | 135.3 | -37.9 | -170.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 160 | C | 31.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | 64.7 | 130.1 | 157.9 | -67.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 161 | R | 42.7 | Very low | 36.4 | Very low | 239 Ų | 239 | 129.2 Ų | 129.2 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -56 | 162.3 | 161.5 | -78.7 | 175.9 | 168.1 | -121.6 | -1.6 | 113.6 | ||||
| 162 | P | 42.7 | Very low | 36.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -160.8 | 176.7 | 68.4 | 43.5 | -21.1 | 0 | 0 | 0 | 121.4 | |||||
| 163 | S | 30.7 | Very low | 37 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | 99.3 | 132.9 | 139 | -153 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 164 | S | 32.1 | Very low | 37 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 67.9 | 138.9 | 141 | 46.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 165 | Q | 37.6 | Very low | 36.1 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -75.6 | -164.1 | 169.2 | -43.7 | -162.3 | -25.5 | 0 | 0 | 112.8 | ||||
| 166 | P | 52.8 | Low | 36.2 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -130.7 | -166.6 | -17.6 | 38.9 | -20.2 | 0 | 0 | 0 | 112.6 | ||||
| 167 | I | 32.7 | Very low | 36.6 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | 178.8 | 159.9 | 137.4 | -96 | 160.3 | 0 | 0 | 0 | 112.3 | ||||
| 168 | M | 35.9 | Very low | 36.7 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 138.1 | -161.7 | 172.5 | 166.1 | 55.9 | 0 | 0 | 112.4 | ||||
| 169 | S | 33.2 | Very low | 37.3 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -161.7 | 110.4 | 165.5 | 41.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 170 | Q | 33.8 | Very low | 38 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | 88.5 | 98.3 | 61.1 | -166.5 | -159.4 | 116.7 | 0 | 0 | 113.6 | |||||
| 171 | S | 33 | Very low | 38.2 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -162.7 | 146 | 136.6 | 54 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 172 | L | 35 | Very low | 38 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -123.7 | -177.9 | 178 | -122.5 | 80.2 | 0 | 0 | 0 | 107.1 | ||||
| 173 | P | 47.6 | Very low | 38 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | -139.9 | -173.5 | -0.1 | 39.5 | -19.6 | 0 | 0 | 0 | 117.1 | ||||
| 174 | K | 34.4 | Very low | 38.2 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 75.2 | 143.2 | 154.2 | -93.1 | 161.8 | 165.3 | 172.4 | 0 | 118.5 | ||||
| 175 | E | 31.6 | Very low | 39.1 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -152.4 | 168 | 3.9 | -158.2 | 169.6 | 140.3 | 0 | 0 | 110.4 | ||||
| 176 | G | 36.6 | Very low | 39.1 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -95.7 | -151.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 177 | P | 46.6 | Very low | 39.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | -145.5 | 157 | -12.3 | 43.1 | -24.6 | 0 | 0 | 0 | 118 | ||||
| 178 | D | 35.6 | Very low | 39.8 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 52 | 173 | 155.7 | -25.7 | -56.2 | 0 | 0 | 0 | 125.7 | ||||
| 179 | K | 46 | Very low | 40 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | trans | 79.2 | 139.7 | 154 | 50.7 | -114.6 | 145.2 | -160.1 | 0 | 123.8 | ||||
| 180 | C | 46.3 | Very low | 40.7 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -90.8 | 156.6 | -178.7 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 181 | S | 35.7 | Very low | 41.4 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 176.4 | 123.8 | 149.8 | -81.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 182 | I | 38 | Very low | 42.3 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | 83.5 | 118 | 78.7 | -88.1 | 177.6 | 0 | 0 | 0 | 115.9 | |||||
| 183 | S | 42.3 | Very low | 43.2 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 55.7 | 145.8 | 147.2 | -157.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 184 | G | 34.8 | Very low | 43.5 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 173.2 | 84.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 185 | H | 51.8 | Low | 43.6 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 147.4 | 166.5 | -80.6 | -96.1 | 0 | 0 | 0 | 111.3 | ||||
| 186 | G | 38.4 | Very low | 44.4 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -149.6 | 104.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 187 | S | 51.5 | Low | 45 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 159.4 | 165 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 188 | L | 48.5 | Very low | 45.3 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | 177.5 | 136.3 | 129.6 | -95.3 | 167.9 | 0 | 0 | 0 | 115 | |||||
| 189 | N | 38.8 | Very low | 45.5 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 54.5 | 106 | 143 | -76.3 | 8.2 | 0 | 0 | 0 | 125.3 | ||||
| 190 | S | 47.8 | Very low | 45.4 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | 42.3 | 126.2 | 112.8 | 71.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 191 | I | 48.3 | Very low | 45.2 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -134.8 | 130.8 | 148.1 | -54 | 179 | 0 | 0 | 0 | 109.4 | ||||
| 192 | S | 52.9 | Low | 45.1 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -105.4 | 132.9 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 193 | R | 52.9 | Low | 44.9 | Very low | 220 Ų | 220 | 141.4 Ų | 141.4 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 124.2 | 161.4 | -65.9 | -164.8 | 178.2 | -148.9 | -4.3 | 112.2 | ||||
| 194 | H | 53.8 | Low | 45.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | 0.7 | 163.6 | 151.3 | -38.6 | -84.6 | 0 | 0 | 0 | 120.3 | ||||
| 195 | S | 37.9 | Very low | 45.8 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | cis | -155.8 | 170.7 | 20.9 | 56.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 196 | S | 48.6 | Very low | 45.5 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -91.2 | 145.9 | 177 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 197 | L | 47.9 | Very low | 46.1 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -135.5 | 106.3 | 149.8 | -80.5 | -176.5 | 0 | 0 | 0 | 112.1 | ||||
| 198 | K | 53.8 | Low | 46.1 | Very low | 171 Ų | 171 | 154.6 Ų | 154.6 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -38.6 | 143.2 | 153.9 | 41.3 | 137.5 | 161 | 170.9 | 0 | 115.2 | ||||
| 199 | N | 39.6 | Very low | 45.7 | Very low | 151 Ų | 151 | 153.7 Ų | 153.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | -151.5 | 142.2 | 111.3 | -108.7 | 5.9 | 0 | 0 | 0 | 112.3 | |||||
| 200 | R | 44.5 | Very low | 45.9 | Very low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -83 | 157.3 | 165.4 | -64.7 | 179.8 | 173.6 | -92 | 1 | 107.1 | ||||
| 201 | L | 42.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | -165.8 | 144.3 | 58 | 61.2 | 167.3 | 0 | 0 | 0 | 111.1 | |||||
| 202 | D | 32.9 | Very low | 45.8 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -177.2 | 179.3 | 105.7 | -144.2 | -92.2 | 0 | 0 | 0 | 110.9 | |||||
| 203 | S | 34.2 | Very low | 45.3 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -160.9 | 162.9 | -166.1 | -162.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 204 | P | 47.6 | Very low | 45.4 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -133.4 | 173 | 3.4 | 39.8 | -21.9 | 0 | 0 | 0 | 116.3 | ||||
| 205 | Q | 47.6 | Very low | 44.9 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 40.6 | 101 | 153.6 | -69.3 | -172 | -0.3 | 0 | 0 | 121.1 | ||||
| 206 | I | 46.8 | Very low | 45.7 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -120.8 | 138.4 | 131.7 | -63.7 | -178.2 | 0 | 0 | 0 | 108.3 | ||||
| 207 | R | 50.7 | Low | 45.6 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -85.2 | 154.8 | -168.4 | -63.9 | 175.6 | 177.8 | 170 | -1.6 | 112.3 | ||||
| 208 | K | 51.5 | Low | 45.8 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | 75.8 | 89.6 | 166.8 | -62.3 | -177.5 | 174.7 | -177.4 | 0 | 116 | A210 | K208-A210 PolarHBondContact O-N 2.76Š| ||
| 209 | T | 40.5 | Very low | 45.9 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -49.8 | 113.3 | 157 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 210 | A | 42.1 | Very low | 46 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -69 | 123.8 | 141 | 0 | 0 | 0 | 0 | 0 | 106.4 | K208 A212 | K208-A210 PolarHBondContact O-N 2.76Å; A210-A212 PolarHBondContact O-N 2.82Å; A210-A212 VanDerWaalsContact O-N 3.09Å | ||
| 211 | T | 44.9 | Very low | 46.7 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -68 | 112.7 | 174.3 | -167.4 | 0 | 0 | 0 | 0 | 107.4 | G213 | T211-G213 PolarHBondContact O-N 2.98Š| ||
| 212 | A | 49.3 | Very low | 48.1 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -68.9 | 82.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | A210 R214 | A210-A212 PolarHBondContact O-N 2.82Å; A210-A212 VanDerWaalsContact O-N 3.09Å; A212-R214 PolarHBondContact O-N 3Å | ||
| 213 | G | 42.5 | Very low | 49.7 | Very low | 54 Ų | 54 | 142.7 Ų | 142.7 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | trans | -58.2 | 107 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T211 S215 | T211-G213 PolarHBondContact O-N 2.98Å; G213-S215 PolarHBondContact O-N 2.93Å | ||
| 214 | R | 53.5 | Low | 51.4 | Low | 210 Ų | 210 | 143.6 Ų | 143.6 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -65.6 | 79.7 | 167.7 | -178.9 | -178.1 | 173.3 | -122 | 10.9 | 108.3 | A212 K216 | A212-R214 PolarHBondContact O-N 3Å; R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 3.09Å | ||
| 215 | S | 45.3 | Very low | 53 | Low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -70.3 | 85.1 | 179.1 | 41.7 | 0 | 0 | 0 | 0 | 109.8 | G213 S217 | G213-S215 PolarHBondContact O-N 2.93Å; S215-S217 PolarHBondContact O-N 2.88Å | ||
| 216 | K | 54.3 | Low | 54.7 | Low | 170 Ų | 170 | 139.7 Ų | 139.7 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | -63.1 | 83.2 | 148.9 | -80.5 | -170.4 | 169.5 | -167.8 | 0 | 107.7 | R214 | R214-K216 VanDerWaalsContact C-N 3.29Å; R214-K216 PolarHBondContact O-N 3.09Å | ||
| 217 | S | 46.3 | Very low | 56.7 | Low | 59 Ų | 59 | 138 Ų | 138 | 41% | 0.413 | 72% | 0.724 | S | S | . | * | trans | -135.8 | 56.4 | 176.3 | -171.6 | 0 | 0 | 0 | 0 | 111 | S215 N219 | S215-S217 PolarHBondContact O-N 2.88Å; S217-N219 PolarHBondContact O-N 2.85Å | ||
| 218 | F | 52.4 | Low | 58.5 | Low | 205 Ų | 205 | 132 Ų | 132 | 90% | 0.899 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 128 | 149.1 | -66.3 | -84.2 | 0 | 0 | 0 | 107 | ||
| 219 | N | 54.2 | Low | 60.2 | Low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.7 | 50.9 | 176 | -155.9 | 55.2 | 0 | 0 | 0 | 118.2 | S217 | S217-N219 PolarHBondContact O-N 2.85Š|
| 220 | N | 43.3 | Very low | 62.7 | Low | 134 Ų | 134 | 121.9 Ų | 121.9 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | trans | -139.8 | 57.7 | 153.9 | -76.5 | -67.3 | 0 | 0 | 0 | 111.6 | R222 | N220-R222 PolarHBondContact O-N 3.33Š| ||
| 221 | H | 59.5 | Low | 65.2 | Low | 181 Ų | 181 | 123.8 Ų | 123.8 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | trans | -76.2 | 83.1 | 162 | -66 | -74.3 | 0 | 0 | 0 | 108.5 | P223 | H221-P223 WeakPolarHBondContact O-CD 3.41Š| ||
| 222 | R | 70 | Confident | 67.6 | Low | 210 Ų | 210 | 122.9 Ų | 122.9 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122 | 153.7 | -170.8 | 177.4 | -168.2 | -125.7 | -0.3 | 105.1 | N220 M224 | N220-R222 PolarHBondContact O-N 3.33Å; R222-M224 HydrophobicContact CB-CE 4.5Å; R222-M224 WeakPolarHBondContact O-CE 3.5Å; R222-M224 PolarHBondContact O-N 3.32Å; R222-M224 VanDerWaalsContact O-N 3.15Å |
| 223 | P | 66.6 | Low | 69.7 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 127.1 | 173.5 | 23.1 | -31.8 | 0 | 0 | 0 | 107.5 | H221 | H221-P223 WeakPolarHBondContact O-CD 3.41Š|
| 224 | M | 70.3 | Confident | 72.2 | Confident | 118 Ų | 118 | 126.2 Ų | 126.2 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.7 | 169.8 | -69.5 | -63.5 | 95.9 | 0 | 0 | 107.4 | R222 I229 | R222-M224 HydrophobicContact CB-CE 4.5Å; R222-M224 WeakPolarHBondContact O-CE 3.5Å; R222-M224 PolarHBondContact O-N 3.32Å; R222-M224 VanDerWaalsContact O-N 3.15Å; M224-I229 HydrophobicContact CB-CD1 3.95Å; M224-I229 HydrophobicContact CB-CG1 4.05Å |
| 225 | D | 82.5 | Confident | 74.2 | Confident | 94 Ų | 94 | 119 Ų | 119 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -61 | 125.6 | 179.2 | -167.2 | -19.8 | 0 | 0 | 0 | 108.3 | E227 V228 I229 | D225-E227 PolarHBondContact O-N 3.17Å; D225-E227 VanDerWaalsContact O-N 3.1Å; D225-E227 PolarHBondContact OD1-N 3.35Å; D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 3.95Å; D225-V228 PolarHBondContact O-N 3.35Å; D225-I229 PolarHBondContact O-N 2.96Å; D225-I229 VanDerWaalsContact O-N 3.16Å |
| 226 | P | 82.2 | Confident | 76.6 | Confident | 92 Ų | 92 | 118.1 Ų | 118.1 | 60% | 0.597 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.1 | -30.7 | 178.1 | 21 | -34.2 | 0 | 0 | 0 | 112.5 | V228 I229 A230 | P226-V228 PolarHBondContact O-N 2.79Å; P226-I229 PolarHBondContact O-N 3.48Å; P226-A230 WeakPolarHBondContact O-CB 3.34Å; P226-A230 PolarHBondContact O-N 3.38Å |
| 227 | E | 88.3 | Confident | 78.6 | Confident | 141 Ų | 141 | 114.9 Ų | 114.9 | 66% | 0.659 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -37.5 | 177.4 | -142.2 | 74.7 | 171.6 | 0 | 0 | 112.3 | D225 Q231 | D225-E227 PolarHBondContact O-N 3.17Å; D225-E227 VanDerWaalsContact O-N 3.1Å; D225-E227 PolarHBondContact OD1-N 3.35Å; E227-Q231 VanDerWaalsContact O-CB 3.26Å; E227-Q231 WeakPolarHBondContact O-CB 3.27Å; E227-Q231 PolarHBondContact O-N 3.13Å |
| 228 | V | 88.7 | Confident | 81 | Confident | 81 Ų | 81 | 116.2 Ų | 116.2 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.9 | -36.2 | 177 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | D225 P226 D232 | D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 3.95Å; D225-V228 PolarHBondContact O-N 3.35Å; P226-V228 PolarHBondContact O-N 2.79Å; V228-D232 WeakPolarHBondContact O-CB 3.36Å; V228-D232 PolarHBondContact O-N 2.9Å |
| 229 | I | 88.3 | Confident | 83.1 | Confident | 85 Ų | 85 | 109.3 Ų | 109.3 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -47.5 | 174.5 | -62.7 | 166.1 | 0 | 0 | 0 | 110 | M224 D225 P226 Q231 D232 I233 | M224-I229 HydrophobicContact CB-CD1 3.95Å; M224-I229 HydrophobicContact CB-CG1 4.05Å; D225-I229 PolarHBondContact O-N 2.96Å; D225-I229 VanDerWaalsContact O-N 3.16Å; P226-I229 PolarHBondContact O-N 3.48Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.5Å; I229-D232 PolarHBondContact O-N 3.14Å; I229-I233 HydrophobicContact CG2-CD1 3.8Å; I229-I233 VanDerWaalsContact O-CG1 3.27Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.45Å |
| 230 | A | 91.8 | Very high | 85 | Confident | 41 Ų | 41 | 104.6 Ų | 104.6 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P226 D232 I233 E234 | P226-A230 WeakPolarHBondContact O-CB 3.34Å; P226-A230 PolarHBondContact O-N 3.38Å; A230-D232 PolarHBondContact O-N 3.12Å; A230-I233 PolarHBondContact O-N 3.17Å; A230-E234 WeakPolarHBondContact O-CB 3.24Å; A230-E234 WeakPolarHBondContact O-CG 3.46Å; A230-E234 PolarHBondContact O-N 2.71Å |
| 231 | Q | 94.9 | Very high | 87.5 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | 179.1 | -170.8 | 170.5 | 34.2 | 0 | 0 | 113.3 | E227 I229 A235 | E227-Q231 VanDerWaalsContact O-CB 3.26Å; E227-Q231 WeakPolarHBondContact O-CB 3.27Å; E227-Q231 PolarHBondContact O-N 3.13Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.5Å; Q231-A235 VanDerWaalsContact O-CB 3.26Å; Q231-A235 WeakPolarHBondContact O-CB 3.08Å; Q231-A235 PolarHBondContact O-N 3.34Å |
| 232 | D | 94.8 | Very high | 89.2 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.1 | -38.1 | 176.7 | -164.1 | 51.4 | 0 | 0 | 0 | 111.9 | V228 I229 A230 A235 T236 | V228-D232 WeakPolarHBondContact O-CB 3.36Å; V228-D232 PolarHBondContact O-N 2.9Å; I229-D232 PolarHBondContact O-N 3.14Å; A230-D232 PolarHBondContact O-N 3.12Å; D232-A235 PolarHBondContact O-N 2.8Å; D232-T236 VanDerWaalsContact O-CB 3.28Å; D232-T236 WeakPolarHBondContact O-CB 3.44Å; D232-T236 PolarHBondContact O-N 3.19Å; D232-T236 PolarHBondContact O-OG1 3.32Å |
| 233 | I | 95.1 | Very high | 90.4 | Very high | 106 Ų | 106 | 93.5 Ų | 93.5 | 54% | 0.544 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 172 | -68 | 165.8 | 0 | 0 | 0 | 110.5 | I229 A230 T236 M237 | I229-I233 HydrophobicContact CG2-CD1 3.8Å; I229-I233 VanDerWaalsContact O-CG1 3.27Å; I229-I233 WeakPolarHBondContact O-CG1 3.4Å; I229-I233 PolarHBondContact O-N 3.45Å; A230-I233 PolarHBondContact O-N 3.17Å; I233-T236 PolarHBondContact O-N 3Å; I233-M237 WeakPolarHBondContact O-CB 3.31Å; I233-M237 PolarHBondContact O-N 3Å |
| 234 | E | 94.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 93.3 Ų | 93.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 176.8 | -76.7 | -178.4 | -164.4 | 0 | 0 | 111.9 | A230 M237 N238 | A230-E234 WeakPolarHBondContact O-CB 3.24Å; A230-E234 WeakPolarHBondContact O-CG 3.46Å; A230-E234 PolarHBondContact O-N 2.71Å; E234-M237 PolarHBondContact O-N 2.62Å; E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 PolarHBondContact O-N 3.29Å; E234-N238 PolarHBondContact O-ND2 2.91Å |
| 235 | A | 94.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q231 D232 N238 S239 | Q231-A235 VanDerWaalsContact O-CB 3.26Å; Q231-A235 WeakPolarHBondContact O-CB 3.08Å; Q231-A235 PolarHBondContact O-N 3.34Å; D232-A235 PolarHBondContact O-N 2.8Å; A235-N238 PolarHBondContact O-N 2.93Å; A235-S239 PolarHBondContact O-N 2.95Å |
| 236 | T | 96.4 | Very high | 93 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | D232 I233 N238 S239 A240 | D232-T236 VanDerWaalsContact O-CB 3.28Å; D232-T236 WeakPolarHBondContact O-CB 3.44Å; D232-T236 PolarHBondContact O-N 3.19Å; D232-T236 PolarHBondContact O-OG1 3.32Å; I233-T236 PolarHBondContact O-N 3Å; T236-N238 PolarHBondContact O-N 2.87Å; T236-S239 PolarHBondContact O-N 2.96Å; T236-A240 PolarHBondContact O-N 2.88Å |
| 237 | M | 96.8 | Very high | 93.3 | Very high | 102 Ų | 102 | 94 Ų | 94 | 50% | 0.502 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.6 | -177.8 | -179.4 | 64.9 | 0 | 0 | 111.6 | I233 E234 S239 A240 L241 | I233-M237 WeakPolarHBondContact O-CB 3.31Å; I233-M237 PolarHBondContact O-N 3Å; E234-M237 PolarHBondContact O-N 2.62Å; M237-S239 PolarHBondContact O-N 2.76Å; M237-A240 PolarHBondContact O-N 2.98Å; M237-L241 HydrophobicContact CG-CD1 3.89Å; M237-L241 HydrophobicContact CG-CG 4.35Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.5Å |
| 238 | N | 95.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 94 Ų | 94 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 177.3 | -81.4 | -71.4 | 0 | 0 | 0 | 112.4 | E234 A235 T236 N242 | E234-N238 WeakPolarHBondContact O-CB 3.31Å; E234-N238 PolarHBondContact O-N 3.29Å; E234-N238 PolarHBondContact O-ND2 2.91Å; A235-N238 PolarHBondContact O-N 2.93Å; T236-N238 PolarHBondContact O-N 2.87Å; N238-N242 VanDerWaalsContact O-CB 3.3Å; N238-N242 WeakPolarHBondContact O-CB 3.35Å; N238-N242 PolarHBondContact O-N 2.86Å |
| 239 | S | 96.1 | Very high | 92.5 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -52.2 | 172.3 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | A235 T236 M237 L241 N242 E243 | A235-S239 PolarHBondContact O-N 2.95Å; T236-S239 PolarHBondContact O-N 2.96Å; M237-S239 PolarHBondContact O-N 2.76Å; S239-L241 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 3.38Å; S239-N242 WeakPolarHBondContact O-CA 2.86Å; S239-N242 WeakPolarHBondContact O-CB 3.27Å; S239-N242 PolarHBondContact O-N 3.47Å; S239-E243 PolarHBondContact O-N 3.42Å; S239-E243 PolarHBondContact OG-OE1 3.37Å; S239-E243 VanDerWaalsContact OG-OE1 3.09Å |
| 240 | A | 95.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 98.8 Ų | 98.8 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T236 M237 N242 E243 L244 | T236-A240 PolarHBondContact O-N 2.88Å; M237-A240 PolarHBondContact O-N 2.98Å; A240-N242 VanDerWaalsContact C-N 3.27Å; A240-N242 PolarHBondContact O-N 3.37Å; A240-E243 PolarHBondContact O-N 3.1Å; A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.15Å; A240-L244 PolarHBondContact O-N 3.34Å |
| 241 | L | 95.9 | Very high | 90.4 | Very high | 74 Ų | 74 | 101.1 Ų | 101.1 | 39% | 0.387 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -23 | 175.3 | -70.3 | 174 | 0 | 0 | 0 | 113.4 | M237 S239 R245 | M237-L241 HydrophobicContact CG-CD1 3.89Å; M237-L241 HydrophobicContact CG-CG 4.35Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.5Å; S239-L241 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 3.38Å; L241-R245 WeakPolarHBondContact O-CG 3.43Å; L241-R245 PolarHBondContact O-N 2.96Å; L241-R245 PolarHBondContact O-NE 3.38Å |
| 242 | N | 95.3 | Very high | 88.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -81.4 | -41.6 | 174.1 | -170.6 | 69.4 | 0 | 0 | 0 | 111.2 | N238 S239 A240 R245 E246 | N238-N242 VanDerWaalsContact O-CB 3.3Å; N238-N242 WeakPolarHBondContact O-CB 3.35Å; N238-N242 PolarHBondContact O-N 2.86Å; S239-N242 WeakPolarHBondContact O-CA 2.86Å; S239-N242 WeakPolarHBondContact O-CB 3.27Å; S239-N242 PolarHBondContact O-N 3.47Å; A240-N242 VanDerWaalsContact C-N 3.27Å; A240-N242 PolarHBondContact O-N 3.37Å; N242-R245 PolarHBondContact O-N 3.07Å; N242-E246 PolarHBondContact O-N 3.18Å |
| 243 | E | 94.3 | Very high | 86.7 | Confident | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 172.8 | -72.5 | 173.1 | -121.5 | 0 | 0 | 111.6 | S239 A240 R245 E246 L247 | S239-E243 PolarHBondContact O-N 3.42Å; S239-E243 PolarHBondContact OG-OE1 3.37Å; S239-E243 VanDerWaalsContact OG-OE1 3.09Å; A240-E243 PolarHBondContact O-N 3.1Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3.02Å; E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.04Å |
| 244 | L | 93.9 | Very high | 84.9 | Confident | 108 Ų | 108 | 102.9 Ų | 102.9 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | 174.8 | -74.9 | 169.9 | 0 | 0 | 0 | 112.7 | A240 L247 E248 | A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 VanDerWaalsContact O-CG 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.15Å; A240-L244 PolarHBondContact O-N 3.34Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-E248 PolarHBondContact O-N 2.83Å |
| 245 | R | 90.6 | Very high | 82.8 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68 | -36.8 | 177.2 | -82.1 | 179.8 | -81.7 | -162.3 | -2.6 | 112.7 | L241 N242 E243 R249 | L241-R245 WeakPolarHBondContact O-CG 3.43Å; L241-R245 PolarHBondContact O-N 2.96Å; L241-R245 PolarHBondContact O-NE 3.38Å; N242-R245 PolarHBondContact O-N 3.07Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.16Å; R245-R249 WeakPolarHBondContact O-CB 3.25Å; R245-R249 PolarHBondContact O-N 3.07Å; R245-R249 VanDerWaalsContact O-N 3.15Å |
| 246 | E | 90.2 | Very high | 80.6 | Confident | 68 Ų | 68 | 108 Ų | 108 | 32% | 0.318 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.3 | -36 | 173.7 | -178.9 | 55.9 | -157 | 0 | 0 | 111.8 | N242 E243 R249 Q250 | N242-E246 PolarHBondContact O-N 3.18Å; E243-E246 PolarHBondContact O-N 3.02Å; E246-R249 WeakPolarHBondContact O-CB 3.29Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE1-CZ 3.34Å; E246-R249 IonicContact OE1-NE 3.64Å; E246-R249 IonicContact OE1-NH2 3.5Å; E246-R249 PolarHBondContact OE1-NH2 2.91Å; E246-R249 IonicContact OE2-CZ 3.23Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 PolarHBondContact OE2-NE 2.78Å; E246-R249 IonicContact OE2-NH2 3.83Å; E246-R249 PolarHBondContact OE2-NH2 3.26Å; E246-Q250 WeakPolarHBondContact O-CG 3.44Å; E246-Q250 PolarHBondContact O-N 3.25Å; E246-Q250 PolarHBondContact OE1-NE2 2.83Å |
| 247 | L | 87 | Confident | 78.4 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -41.2 | 172.9 | -74.4 | 170.1 | 0 | 0 | 0 | 112.2 | E243 L244 R249 Q250 S251 | E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 3.16Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 2.79Å; L247-Q250 PolarHBondContact O-N 3.41Å; L247-S251 WeakPolarHBondContact O-CB 3.29Å; L247-S251 PolarHBondContact O-N 3.44Å; L247-S251 PolarHBondContact O-OG 2.93Å |
| 248 | E | 80.8 | Confident | 76.6 | Confident | 139 Ų | 139 | 109.9 Ų | 109.9 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -46.3 | 172.6 | -172 | -178.2 | 170.8 | 0 | 0 | 110.6 | L244 Q250 S251 S252 | L244-E248 PolarHBondContact O-N 2.83Å; E248-Q250 VanDerWaalsContact C-N 3.29Å; E248-Q250 PolarHBondContact O-N 2.85Å; E248-S251 WeakPolarHBondContact CA-OG 3.1Å; E248-S251 PolarHBondContact O-N 2.78Å; E248-S251 PolarHBondContact O-OG 2.95Å; E248-S252 PolarHBondContact O-N 3.21Å |
| 249 | R | 80.8 | Confident | 75.1 | Confident | 159 Ų | 159 | 111.2 Ų | 111.2 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.9 | -37.9 | 177.1 | -146.5 | -176.9 | 65.8 | 69 | 12.3 | 112.2 | R245 E246 L247 S252 | R245-R249 WeakPolarHBondContact O-CB 3.25Å; R245-R249 PolarHBondContact O-N 3.07Å; R245-R249 VanDerWaalsContact O-N 3.15Å; E246-R249 WeakPolarHBondContact O-CB 3.29Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE1-CZ 3.34Å; E246-R249 IonicContact OE1-NE 3.64Å; E246-R249 IonicContact OE1-NH2 3.5Å; E246-R249 PolarHBondContact OE1-NH2 2.91Å; E246-R249 IonicContact OE2-CZ 3.23Å; E246-R249 IonicContact OE2-NE 2.77Å; E246-R249 PolarHBondContact OE2-NE 2.78Å; E246-R249 IonicContact OE2-NH2 3.83Å; E246-R249 PolarHBondContact OE2-NH2 3.26Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 2.79Å; R249-S252 PolarHBondContact O-OG 2.89Å |
| 250 | Q | 72.4 | Confident | 73.3 | Confident | 109 Ų | 109 | 113.4 Ų | 113.4 | 51% | 0.509 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.2 | -35.7 | 176 | -69.4 | 176.4 | 18.8 | 0 | 0 | 112.8 | E246 L247 E248 S252 V253 | E246-Q250 WeakPolarHBondContact O-CG 3.44Å; E246-Q250 PolarHBondContact O-N 3.25Å; E246-Q250 PolarHBondContact OE1-NE2 2.83Å; L247-Q250 PolarHBondContact O-N 3.41Å; E248-Q250 VanDerWaalsContact C-N 3.29Å; E248-Q250 PolarHBondContact O-N 2.85Å; Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 3.06Å; Q250-V253 PolarHBondContact O-N 2.93Å |
| 251 | S | 62.8 | Low | 71.7 | Confident | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.6 | -21.2 | 179.4 | 75.9 | 0 | 0 | 0 | 0 | 114.3 | L247 E248 V253 | L247-S251 WeakPolarHBondContact O-CB 3.29Å; L247-S251 PolarHBondContact O-N 3.44Å; L247-S251 PolarHBondContact O-OG 2.93Å; E248-S251 WeakPolarHBondContact CA-OG 3.1Å; E248-S251 PolarHBondContact O-N 2.78Å; E248-S251 PolarHBondContact O-OG 2.95Å; S251-V253 PolarHBondContact O-N 3.48Å |
| 252 | S | 57.5 | Low | 69.8 | Low | 85 Ų | 85 | 121.7 Ų | 121.7 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -12.4 | 174.6 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | E248 R249 Q250 K254 | E248-S252 PolarHBondContact O-N 3.21Å; R249-S252 PolarHBondContact O-OG 2.89Å; Q250-S252 VanDerWaalsContact C-N 3.28Å; Q250-S252 PolarHBondContact O-N 3.06Å; S252-K254 PolarHBondContact O-N 3.49Å |
| 253 | V | 54.7 | Low | 68 | Low | 115 Ų | 115 | 122 Ų | 122 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -73.2 | 91.3 | 171.3 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | Q250 S251 H255 | Q250-V253 PolarHBondContact O-N 2.93Å; S251-V253 PolarHBondContact O-N 3.48Å; V253-H255 PolarHBondContact O-N 3.49Å |
| 254 | K | 57.4 | Low | 66.1 | Low | 189 Ų | 189 | 125 Ų | 125 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | trans | -49.4 | 101.6 | 177 | -67.4 | -176.3 | 176.5 | -175.3 | 0 | 111.8 | S252 | S252-K254 PolarHBondContact O-N 3.49Š| ||
| 255 | H | 50.6 | Low | 64.3 | Low | 168 Ų | 168 | 127.8 Ų | 127.8 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | trans | -102.1 | 63.3 | 162.2 | -166 | 38.9 | 0 | 0 | 0 | 111.1 | V253 P257 | V253-H255 PolarHBondContact O-N 3.49Å; H255-P257 WeakPolarHBondContact O-CD 3.38Å | ||
| 256 | T | 47.2 | Very low | 62.6 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -82.8 | 111 | 147.5 | 44.5 | 0 | 0 | 0 | 0 | 106.6 | D258 | T256-D258 PolarHBondContact O-N 2.96Å; T256-D258 VanDerWaalsContact O-N 3.12Å | ||
| 257 | P | 51.8 | Low | 60.5 | Low | 89 Ų | 89 | 131.6 Ų | 131.6 | 58% | 0.578 | 71% | 0.705 | S | S | * | * | trans | -59.9 | 118.5 | 162.8 | 26.1 | -31.6 | 0 | 0 | 0 | 107.1 | H255 V259 | H255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-V259 PolarHBondContact O-N 3.34Å | ||
| 258 | D | 57.4 | Low | 58.7 | Low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -64.1 | 101.4 | 173.8 | -171 | 11.3 | 0 | 0 | 0 | 107.3 | T256 V260 | T256-D258 PolarHBondContact O-N 2.96Å; T256-D258 VanDerWaalsContact O-N 3.12Å; D258-V260 PolarHBondContact O-N 2.98Å | ||
| 259 | V | 64.6 | Low | 56.8 | Low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | -75.9 | 80.6 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 106.1 | P257 L261 | P257-V259 PolarHBondContact O-N 3.34Å; V259-L261 PolarHBondContact O-N 3.38Å | ||
| 260 | V | 58.5 | Low | 54.6 | Low | 105 Ų | 105 | 134.2 Ų | 134.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -55.6 | 106.1 | 168 | -169 | 0 | 0 | 0 | 0 | 106 | D258 D262 | D258-V260 PolarHBondContact O-N 2.98Å; V260-D262 PolarHBondContact O-N 3.2Å | ||
| 261 | L | 61.2 | Low | 53.7 | Low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | -68.1 | 86.4 | 169.7 | -75.7 | 170.9 | 0 | 0 | 0 | 106.4 | V259 | V259-L261 PolarHBondContact O-N 3.38Š| ||
| 262 | D | 57.3 | Low | 52.4 | Low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -58.8 | 140.6 | -175.6 | -162.1 | -0.9 | 0 | 0 | 0 | 109.9 | V260 L264 | V260-D262 PolarHBondContact O-N 3.2Å; D262-L264 PolarHBondContact O-N 3.32Å | ||
| 263 | T | 57.5 | Low | 51.7 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -53.1 | 100.8 | -168.2 | 9.6 | 0 | 0 | 0 | 0 | 113 | E265 | T263-E265 PolarHBondContact O-N 3.24Š| ||
| 264 | L | 54.6 | Low | 50.9 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -78.1 | 102.6 | 155.9 | -71.9 | -175.6 | 0 | 0 | 0 | 108.7 | D262 | D262-L264 PolarHBondContact O-N 3.32Š| ||
| 265 | E | 55.7 | Low | 50.4 | Low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 154 | -173.1 | -64.5 | -172.7 | 136.5 | 0 | 0 | 114.3 | T263 L267 | T263-E265 PolarHBondContact O-N 3.24Å; E265-L267 PolarHBondContact O-N 3.47Å | ||
| 266 | P | 54.1 | Low | 49.9 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -87.9 | 113.4 | -171.3 | 33.4 | -34.3 | 0 | 0 | 0 | 113.4 | ||||
| 267 | L | 46.8 | Very low | 49.7 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -98.9 | 98.1 | 167.8 | -70.5 | 179.1 | 0 | 0 | 0 | 112.3 | E265 | E265-L267 PolarHBondContact O-N 3.47Š| ||
| 268 | K | 49.7 | Very low | 49.4 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -12.6 | 124.3 | 159.2 | -70.5 | 166.3 | 167.8 | 171 | 0 | 116.3 | ||||
| 269 | T | 39.3 | Very low | 49.1 | Very low | 151 Ų | 151 | 135 Ų | 135 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | -148.4 | 163.4 | 113 | 42.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 270 | S | 34.9 | Very low | 48 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -132.5 | 174 | -166.4 | -179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 271 | P | 54.4 | Low | 47.1 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -117.9 | -151.9 | -42.8 | 28.8 | -10.4 | 0 | 0 | 0 | 110.2 | ||||
| 272 | V | 36.1 | Very low | 46.6 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 119.3 | 105.1 | 149.7 | 179.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 273 | V | 41.8 | Very low | 46.2 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 85.9 | 122.2 | 141.8 | 170.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 274 | A | 38.1 | Very low | 45.3 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 70.1 | 133.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 275 | P | 46.5 | Very low | 44.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -101.7 | 124.8 | 167.5 | 36.4 | -27.7 | 0 | 0 | 0 | 113.2 | ||||
| 276 | T | 40.6 | Very low | 44.4 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -148.1 | 134.8 | 155 | 56 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 277 | S | 41.9 | Very low | 44.1 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -157.3 | 149.1 | 35 | -45.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 278 | E | 46.8 | Very low | 44.3 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -71.1 | 167.6 | 146 | -73 | -170.1 | 101.7 | 0 | 0 | 109.5 | ||||
| 279 | P | 51.5 | Low | 44.1 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | -133.5 | 146 | 99.5 | 36 | -27.3 | 0 | 0 | 0 | 113.6 | |||||
| 280 | S | 41.1 | Very low | 44.3 | Very low | 79 Ų | 79 | 132 Ų | 132 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | trans | -117.8 | 136.6 | -173.1 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 281 | S | 39.9 | Very low | 45.5 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 73.3 | -176 | 147.2 | -51.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 282 | P | 49.9 | Very low | 44.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | -137.8 | -174.1 | -106.3 | 36.8 | -12.7 | 0 | 0 | 0 | 116 | |||||
| 283 | L | 48.5 | Very low | 46.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 11.8 | 116.7 | 158.5 | -63.6 | 172.7 | 0 | 0 | 0 | 120 | ||||
| 284 | H | 39.3 | Very low | 46.7 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -154 | 155.5 | 141.8 | -136.8 | 66.2 | 0 | 0 | 0 | 116.2 | ||||
| 285 | T | 43.5 | Very low | 47.2 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | -98.9 | 153.5 | 176.8 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 286 | Q | 46.8 | Very low | 47.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | 146.1 | 124.8 | 153.7 | -83.7 | 170.8 | 90.1 | 0 | 0 | 109.4 | ||||
| 287 | L | 49.1 | Very low | 47.6 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | 83.4 | 114.9 | 60.5 | -163.9 | 159.3 | 0 | 0 | 0 | 112.3 | |||||
| 288 | L | 50.4 | Low | 47.9 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 161 | 114.6 | 166.1 | -89.2 | 160 | 0 | 0 | 0 | 104.5 | ||||
| 289 | K | 46 | Very low | 48 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | 70.5 | 102.1 | 41 | -170.7 | 80.1 | 80.5 | 175.4 | 0 | 113.8 | ||||
| 290 | D | 42.6 | Very low | 47.7 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -161.3 | 138 | 139.6 | -114.7 | -25.2 | 0 | 0 | 0 | 112.8 | ||||
| 291 | P | 60.2 | Low | 48.2 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 70% | 0.695 | 82% | 0.823 | S | S | * | * | trans | -137.5 | 131.7 | 160.3 | 36.2 | -19.9 | 0 | 0 | 0 | 113.6 | ||||
| 292 | E | 43.4 | Very low | 48.8 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | -150.8 | 137.6 | 158.4 | -154.2 | -168.1 | 146.9 | 0 | 0 | 112.8 | ||||
| 293 | P | 59.8 | Low | 48.8 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | trans | -114.1 | 142.7 | 159.3 | 36.8 | -25.9 | 0 | 0 | 0 | 112.7 | ||||
| 294 | A | 55.6 | Low | 48.8 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 100% | 1.388 | 84% | 0.836 | S | S | * | * | trans | -145.7 | 0 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 294 of 294 residues in 152 ms
(Link to these results)