| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.8 | Very low | 33.2 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 100% | 1.148 | 78% | 0.783 | S | S | * | * | 0 | 108.7 | 0 | -66.9 | 166.1 | 177.5 | 0 | 0 | 106.2 | |||||
| 2 | L | 32.6 | Very low | 33.6 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | 72.1 | 85.3 | 77.2 | -80 | 166.9 | 0 | 0 | 0 | 112.7 | L4 | L2-L4 HydrophobicContact CD2-CD2 4.46Å; L2-L4 HydrophobicContact CD2-CG 4.47Å | |||
| 3 | C | 26.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -105.5 | 104.2 | 155.2 | -73.1 | 0 | 0 | 0 | 0 | 108.1 | Y5 | C3-Y5 HydrophobicContact CB-CE2 4.5Å; C3-Y5 PolarHBondContact O-N 3.35Å | ||
| 4 | L | 33.6 | Very low | 34.8 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -81.4 | 91.2 | 177 | -75.8 | 169.6 | 0 | 0 | 0 | 110.2 | L2 H6 | L2-L4 HydrophobicContact CD2-CD2 4.46Å; L2-L4 HydrophobicContact CD2-CG 4.47Å; L4-H6 PolarHBondContact O-N 3.3Å | ||
| 5 | Y | 35.8 | Very low | 35.9 | Very low | 223 Ų | 223 | 132.1 Ų | 132.1 | 88% | 0.875 | 73% | 0.728 | S | S | * | * | trans | -70.8 | 113 | 166.4 | -83.7 | -81.8 | 0 | 0 | 0 | 109.7 | C3 C7 | C3-Y5 HydrophobicContact CB-CE2 4.5Å; C3-Y5 PolarHBondContact O-N 3.35Å; Y5-C7 PolarHBondContact O-N 2.97Å | ||
| 6 | H | 32.8 | Very low | 37 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 121.2 | 168.2 | -84.2 | 29.6 | 0 | 0 | 0 | 109.5 | L4 | L4-H6 PolarHBondContact O-N 3.3Š|
| 7 | C | 29.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -68 | 132.7 | 163.1 | -165.9 | 0 | 0 | 0 | 0 | 108.1 | Y5 | Y5-C7 PolarHBondContact O-N 2.97Š|
| 8 | P | 31.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.2 | 172.5 | 27.2 | -34.3 | 0 | 0 | 0 | 109.5 | ||
| 9 | P | 37.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141.9 | 178.7 | 26 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 10 | L | 39.4 | Very low | 46.6 | Very low | 135 Ų | 135 | 118.6 Ų | 118.6 | 71% | 0.707 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 139.8 | 167 | -77.9 | 165 | 0 | 0 | 0 | 109.9 | A14 | L10-A14 HydrophobicContact CB-CB 4.34Š|
| 11 | S | 35.1 | Very low | 48.9 | Very low | 75 Ų | 75 | 113 Ų | 113 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 146 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 111 | L13 A14 | S11-L13 PolarHBondContact O-N 3.29Å; S11-A14 VanDerWaalsContact O-CB 3.27Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.14Å |
| 12 | P | 37.6 | Very low | 52.1 | Low | 111 Ų | 111 | 101.9 Ų | 101.9 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -33.8 | -172.9 | -30.3 | 36.6 | 0 | 0 | 0 | 115 | A14 L15 | P12-A14 PolarHBondContact O-N 3.14Å; P12-L15 PolarHBondContact O-N 3.18Å |
| 13 | L | 39.9 | Very low | 55.1 | Low | 125 Ų | 125 | 95.1 Ų | 95.1 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -24.1 | 176 | -78.1 | 84.3 | 0 | 0 | 0 | 113.7 | S11 L15 | S11-L13 PolarHBondContact O-N 3.29Å; L13-L15 PolarHBondContact O-N 3.03Å |
| 14 | A | 44.2 | Very low | 58.4 | Low | 37 Ų | 37 | 89.8 Ų | 89.8 | 31% | 0.306 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.4 | -16.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L10 S11 P12 | L10-A14 HydrophobicContact CB-CB 4.34Å; S11-A14 VanDerWaalsContact O-CB 3.27Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.14Å; P12-A14 PolarHBondContact O-N 3.14Å |
| 15 | L | 50.8 | Low | 61.2 | Low | 119 Ų | 119 | 83.3 Ų | 83.3 | 62% | 0.623 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -97.8 | -28.5 | 179.8 | -83.2 | 143.9 | 0 | 0 | 0 | 113.3 | P12 L13 F17 K18 | P12-L15 PolarHBondContact O-N 3.18Å; L13-L15 PolarHBondContact O-N 3.03Å; L15-F17 VanDerWaalsContact C-N 3.31Å; L15-F17 PolarHBondContact O-N 3.17Å; L15-K18 PolarHBondContact O-N 3.3Å |
| 16 | Q | 53.7 | Low | 63.9 | Low | 143 Ų | 143 | 72.7 Ų | 72.7 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65 | -29.3 | -168.5 | -174.1 | 170.2 | -6 | 0 | 0 | 114.4 | ||
| 17 | F | 74.1 | Confident | 66.4 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 16.1 | -173.4 | -53.8 | -69.2 | 0 | 0 | 0 | 114 | L15 S180 L181 D184 | L15-F17 VanDerWaalsContact C-N 3.31Å; L15-F17 PolarHBondContact O-N 3.17Å; F17-S180 WeakPolarHBondContact O-CA 3.37Å; F17-S180 VanDerWaalsContact O-CB 3.23Å; F17-S180 WeakPolarHBondContact O-CB 3.41Å; F17-L181 HydrophobicContact CB-CB 3.97Å; F17-L181 HydrophobicContact CB-CD1 4.24Å; F17-L181 HydrophobicContact CB-CG 4.11Å; F17-L181 HydrophobicContact CD1-CD1 3.9Å; F17-L181 HydrophobicContact CG-CD1 4.39Å; F17-L181 PolarHBondContact O-N 3.39Å; F17-L181 VanDerWaalsContact O-N 3.15Å; F17-D184 HydrophobicContact CE1-CB 3.86Å; F17-D184 HydrophobicContact CZ-CB 4.28Å |
| 18 | K | 82.8 | Confident | 68.8 | Low | 109 Ų | 109 | 61.5 Ų | 61.5 | 47% | 0.474 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 134.5 | 176.8 | -172.3 | 171.2 | -178.3 | 171.1 | 0 | 110.3 | L15 K177 | L15-K18 PolarHBondContact O-N 3.3Å; K18-K177 WeakPolarHBondContact CE-O 3.3Å; K18-K177 PolarHBondContact NZ-O 3.24Å |
| 19 | G | 90.1 | Very high | 71.4 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.8 | -9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S176 I179 | G19-S176 VanDerWaalsContact CA-O 3.27Å; G19-S176 WeakPolarHBondContact CA-O 3.48Å; G19-S176 PolarHBondContact N-O 2.7Å; G19-S176 VanDerWaalsContact O-CB 3.24Å; G19-S176 WeakPolarHBondContact O-CB 3.41Å; G19-I179 PolarHBondContact N-O 2.64Å |
| 20 | Q | 93.4 | Very high | 74 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | trans | -139 | 162.8 | -173.6 | -70 | 173.4 | -29.4 | 0 | 0 | 112 | T52 V53 Q54 I179 S180 L181 | Q20-T52 PolarHBondContact NE2-OG1 3.28Å; Q20-V53 CarbonylContact C-O 3.44Å; Q20-V53 VanDerWaalsContact CA-O 3.26Å; Q20-V53 WeakPolarHBondContact CA-O 3.36Å; Q20-Q54 HydrophobicContact CG-CG 4.3Å; Q20-I179 CarbonylContact O-C 3.59Å; Q20-S180 CarbonylContact O-C 3.59Å; Q20-S180 WeakPolarHBondContact O-CA 3.48Å; Q20-S180 PolarHBondContact O-N 3.03Å; Q20-L181 HydrophobicContact CB-CD2 3.6Å; Q20-L181 HydrophobicContact CB-CG 4.1Å; Q20-L181 PolarHBondContact O-N 3.18Å; Q20-L181 VanDerWaalsContact O-N 3.07Å | ||
| 21 | A | 95.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | T52 V53 L56 I69 F144 I179 L181 | A21-T52 CarbonylContact O-C 3.5Å; A21-T52 WeakPolarHBondContact O-CA 3.4Å; A21-T52 WeakPolarHBondContact O-CB 3.48Å; A21-V53 HydrophobicContact CB-CG2 4.13Å; A21-V53 PolarHBondContact N-O 2.78Å; A21-V53 PolarHBondContact O-N 3.37Å; A21-L56 HydrophobicContact CB-CD2 4.41Å; A21-I69 HydrophobicContact CB-CG2 4.12Å; A21-F144 HydrophobicContact CB-CZ 3.76Å; A21-I179 HydrophobicContact CB-CD1 4.05Å; A21-L181 VanDerWaalsContact C-CD2 3.48Å |
| 22 | N | 96.9 | Very high | 78.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140.3 | 175.9 | -64.8 | 78.4 | 0 | 0 | 0 | 109.9 | I69 F70 Y182 V183 E185 | N22-I69 CarbonylContact O-C 3.17Å; N22-I69 VanDerWaalsContact O-CA 3.27Å; N22-I69 WeakPolarHBondContact O-CA 3.16Å; N22-I69 WeakPolarHBondContact O-CG2 3.48Å; N22-F70 HydrophobicContact CB-CD1 3.96Å; N22-F70 HydrophobicContact CB-CD2 4Å; N22-F70 HydrophobicContact CB-CE1 3.62Å; N22-F70 HydrophobicContact CB-CE2 3.67Å; N22-F70 HydrophobicContact CB-CG 4.14Å; N22-F70 HydrophobicContact CB-CZ 3.46Å; N22-F70 VanDerWaalsContact CB-CZ 3.46Å; N22-F70 WeakPolarHBondContact CB-O 3.44Å; N22-F70 PolarHBondContact N-O 3.1Å; N22-F70 PolarHBondContact O-N 3.19Å; N22-Y182 PolarHBondContact OD1-N 2.95Å; N22-V183 PolarHBondContact ND2-O 3.39Å; N22-V183 PolarHBondContact OD1-O 3.39Å; N22-E185 PolarHBondContact ND2-OE2 3.18Å |
| 23 | L | 95.8 | Very high | 81.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.1 | 170.8 | 166.1 | 60.5 | 0 | 0 | 0 | 109.7 | V25 T51 V53 L67 I69 | L23-V25 HydrophobicContact CD1-CG2 4.12Å; L23-V25 HydrophobicContact CD2-CG2 4.15Å; L23-V25 HydrophobicContact CG-CG2 3.91Å; L23-T51 HydrophobicContact CB-CG2 3.96Å; L23-T51 HydrophobicContact CD2-CG2 3.8Å; L23-T51 HydrophobicContact CG-CG2 3.89Å; L23-T51 PolarHBondContact N-O 2.93Å; L23-T51 PolarHBondContact O-N 3.18Å; L23-V53 HydrophobicContact CB-CG1 4.01Å; L23-V53 HydrophobicContact CD2-CG1 3.62Å; L23-V53 HydrophobicContact CG-CG1 4.42Å; L23-L67 HydrophobicContact CD1-CB 3.94Å; L23-L67 HydrophobicContact CD1-CD2 4.12Å; L23-L67 HydrophobicContact CD1-CG 4.39Å; L23-I69 HydrophobicContact CD1-CG1 3.74Å |
| 24 | H | 95.6 | Very high | 84 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.2 | 168 | -70.3 | -178.7 | 0 | 0 | 0 | 109.5 | F26 P47 R68 F70 E185 | H24-F26 HydrophobicContact CB-CE2 3.94Å; H24-F26 HydrophobicContact CB-CZ 4.43Å; H24-P47 HydrophobicContact CB-CB 3.91Å; H24-P47 HydrophobicContact CB-CG 4.03Å; H24-R68 HydrophobicContact CB-CB 4.28Å; H24-R68 PolarHBondContact N-O 3.01Å; H24-R68 PolarHBondContact O-N 3.41Å; H24-F70 AromaticContact CD2-CE1 3.82Å; H24-F70 AromaticContact CE1-CE1 3.61Å; H24-F70 AromaticContact CE1-CZ 3.63Å; H24-F70 AromaticContact CG-CE1 3.86Å; H24-F70 AromaticContact ND1-CE1 3.74Å; H24-F70 AromaticContact NE2-CE1 3.66Å; H24-F70 AromaticContact NE2-CZ 3.64Å; H24-E185 IonicContact CD2-OE2 2.86Å; H24-E185 IonicContact CE1-OE1 3.69Å; H24-E185 IonicContact CE1-OE2 2.71Å; H24-E185 VanDerWaalsContact NE2-CD 3.26Å; H24-E185 IonicContact NE2-OE1 3.38Å; H24-E185 PolarHBondContact NE2-OE1 3.42Å; H24-E185 IonicContact NE2-OE2 3.22Å; H24-E185 PolarHBondContact NE2-OE2 3.25Å |
| 25 | V | 92.7 | Very high | 86.2 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.6 | -178.6 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | L23 E27 P47 H48 S49 W62 L67 | L23-V25 HydrophobicContact CD1-CG2 4.12Å; L23-V25 HydrophobicContact CD2-CG2 4.15Å; L23-V25 HydrophobicContact CG-CG2 3.91Å; V25-E27 HydrophobicContact CG1-CG 4.23Å; V25-P47 CarbonylContact O-C 3.53Å; V25-P47 VanDerWaalsContact O-CB 3.31Å; V25-P47 WeakPolarHBondContact O-CB 3.48Å; V25-H48 WeakPolarHBondContact O-CB 3.46Å; V25-H48 PolarHBondContact O-N 3.46Å; V25-S49 PolarHBondContact N-O 3.02Å; V25-S49 PolarHBondContact O-N 3.45Å; V25-W62 HydrophobicContact CG1-CZ3 3.93Å; V25-L67 HydrophobicContact CB-CD2 4.36Å; V25-L67 HydrophobicContact CG1-CD2 3.92Å; V25-L67 HydrophobicContact CG2-CD2 4.02Å |
| 26 | F | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 109.8 | 175.3 | -59.1 | -97.4 | 0 | 0 | 0 | 107.2 | H24 L37 Y43 P47 Y65 G66 R68 | H24-F26 HydrophobicContact CB-CE2 3.94Å; H24-F26 HydrophobicContact CB-CZ 4.43Å; F26-L37 HydrophobicContact CB-CD1 4.15Å; F26-L37 HydrophobicContact CG-CD1 4.41Å; F26-Y43 HydrophobicContact CD1-CD2 4.06Å; F26-Y43 AromaticContact CD2-CD2 3.81Å; F26-Y43 HydrophobicContact CD2-CD2 3.81Å; F26-Y43 HydrophobicContact CD2-CE2 4.11Å; F26-Y43 AromaticContact CE1-CD2 3.77Å; F26-Y43 HydrophobicContact CE1-CD2 3.77Å; F26-Y43 HydrophobicContact CE1-CG 4.39Å; F26-Y43 AromaticContact CE2-CD2 3.51Å; F26-Y43 HydrophobicContact CE2-CD2 3.51Å; F26-Y43 AromaticContact CE2-CE2 3.69Å; F26-Y43 HydrophobicContact CE2-CE2 3.69Å; F26-Y43 HydrophobicContact CG-CD2 4.1Å; F26-Y43 AromaticContact CZ-CD2 3.5Å; F26-Y43 HydrophobicContact CZ-CD2 3.5Å; F26-Y43 VanDerWaalsContact CZ-CD2 3.5Å; F26-Y43 HydrophobicContact CZ-CE2 4.03Å; F26-Y43 HydrophobicContact CZ-CG 4.37Å; F26-P47 HydrophobicContact CD1-CB 4.3Å; F26-P47 HydrophobicContact CD2-CB 4.46Å; F26-P47 VanDerWaalsContact CE1-CA 3.48Å; F26-P47 HydrophobicContact CE1-CB 3.88Å; F26-P47 HydrophobicContact CE2-CB 4.05Å; F26-P47 HydrophobicContact CZ-CB 3.73Å; F26-P47 HydrophobicContact CZ-CG 4.44Å; F26-Y65 CarbonylContact O-C 3.57Å; F26-Y65 WeakPolarHBondContact O-CA 3.36Å; F26-Y65 WeakPolarHBondContact O-CB 3.41Å; F26-G66 PolarHBondContact N-O 3.23Å; F26-G66 PolarHBondContact O-N 3.01Å; F26-R68 HydrophobicContact CE2-CB 4.34Å |
| 27 | E | 87.1 | Confident | 89.9 | Confident | 19 Ų | 19 | 24.2 Ų | 24.2 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | trans | -90 | -176.7 | 175 | -45.5 | 177.9 | -176.4 | 0 | 0 | 109.3 | V25 W29 H48 W62 R368 R955 | V25-E27 HydrophobicContact CG1-CG 4.23Å; E27-W29 VanDerWaalsContact C-N 3.29Å; E27-W29 PolarHBondContact O-N 3.06Å; E27-W29 VanDerWaalsContact O-N 3.14Å; E27-H48 HydrophobicContact CB-CB 4.38Å; E27-H48 VanDerWaalsContact CB-CD2 3.45Å; E27-H48 WeakPolarHBondContact CB-CD2 3.19Å; E27-H48 HydrophobicContact CG-CB 3.93Å; E27-H48 PolarHBondContact N-ND1 2.96Å; E27-H48 PolarHBondContact O-CE1 2.78Å; E27-H48 PolarHBondContact O-NE2 2.82Å; E27-W62 HydrophobicContact CG-CE3 4.4Å; E27-W62 HydrophobicContact CG-CZ3 4.01Å; E27-W62 WeakPolarHBondContact OE1-CZ3 3.3Å; E27-R368 IonicContact OE1-NH1 3.83Å; E27-R368 IonicContact OE1-NH2 3.88Å; E27-R955 IonicContact OE1-NH1 2.95Å; E27-R955 WeakPolarHBondContact OE2-CD 3.49Å; E27-R955 IonicContact OE2-CZ 3.91Å; E27-R955 IonicContact OE2-NE 2.7Å; E27-R955 IonicContact OE2-NH1 3.96Å; E27-R955 PolarHBondContact OE2-NH1 2.98Å | ||
| 28 | D | 78.6 | Confident | 90.8 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 17% | 0.166 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 55 | 30.2 | 171.4 | -59.1 | -4.8 | 0 | 0 | 0 | 116.3 | Y951 S953 | D28-Y951 HydrophobicContact CB-CE1 4.42Å; D28-Y951 WeakPolarHBondContact O-CD1 3.33Å; D28-S953 VanDerWaalsContact CG-CB 3.49Å; D28-S953 WeakPolarHBondContact OD1-CB 3.45Å; D28-S953 PolarHBondContact OD1-OG 3.37Å; D28-S953 VanDerWaalsContact OD1-OG 3.07Å; D28-S953 WeakPolarHBondContact OD2-CB 3.04Å; D28-S953 PolarHBondContact OD2-N 3.26Å; D28-S953 PolarHBondContact OD2-OG 2.91Å |
| 29 | W | 87.9 | Confident | 91.2 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | trans | -133 | 112 | -177.2 | -164.1 | -108.5 | 0 | 0 | 0 | 112.8 | E27 D36 K39 N40 N64 K149 T883 | E27-W29 VanDerWaalsContact C-N 3.29Å; E27-W29 PolarHBondContact O-N 3.06Å; E27-W29 VanDerWaalsContact O-N 3.14Å; W29-D36 PolarHBondContact NE1-O 2.73Å; W29-K39 HydrophobicContact CZ2-CB 4.1Å; W29-N40 WeakPolarHBondContact CB-ND2 3.25Å; W29-N40 HydrophobicContact CD2-CB 3.73Å; W29-N40 HydrophobicContact CE3-CB 4.23Å; W29-N40 HydrophobicContact CG-CB 4.02Å; W29-N40 VanDerWaalsContact CG-ND2 3.33Å; W29-N40 HydrophobicContact CZ2-CB 4.07Å; W29-N64 PolarHBondContact N-O 3.15Å; W29-N64 CarbonylContact O-C 3.51Å; W29-N64 VanDerWaalsContact O-O 3.06Å; W29-K149 WeakPolarHBondContact O-CE 3.11Å; W29-K149 PolarHBondContact O-NZ 2.95Å; W29-T883 HydrophobicContact CH2-CG2 4.21Å | ||
| 30 | C | 90.3 | Very high | 91.2 | Very high | 27 Ų | 27 | 22 Ų | 22 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -84.4 | 178.7 | 179.8 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | N64 C880 | C30-N64 WeakPolarHBondContact CA-OD1 3.21Å; C30-N64 VanDerWaalsContact SG-CG 3.53Å; C30-N64 PolarHBondContact SG-OD1 2.8Å; C30-C880 HydrophobicContact CB-CB 3.73Å; C30-C880 WeakPolarHBondContact CB-SG 3.46Å; C30-C880 PolarHBondContact N-SG 2.75Å; C30-C880 WeakPolarHBondContact SG-CB 3.24Å; C30-C880 CovalentContact SG-SG 2.03Å; C30-C880 PolarHBondContact SG-SG 3.45Å | ||
| 31 | G | 89 | Confident | 91 | Very high | 26 Ų | 26 | 22.8 Ų | 22.8 | 27% | 0.268 | 13% | 0.128 | S | C | . | . | trans | 96.1 | 165 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K149 | G31-K149 WeakPolarHBondContact O-CE 3.43Å; G31-K149 WeakPolarHBondContact O-CG 3.31Å; G31-K149 PolarHBondContact O-NZ 3.17Å | ||
| 32 | T | 87.5 | Confident | 90.8 | Very high | 39 Ų | 39 | 23 Ų | 23 | 24% | 0.239 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -125.1 | -14.6 | -163.3 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | D36 G114 N151 | T32-D36 PolarHBondContact N-OD2 2.99Å; T32-G114 WeakPolarHBondContact CB-O 3Å; T32-G114 WeakPolarHBondContact OG1-CA 3.43Å; T32-G114 PolarHBondContact OG1-O 2.68Å; T32-N151 HydrophobicContact CG2-CB 3.39Å |
| 33 | S | 92.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -100.5 | 154.5 | 178.1 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | A35 D36 L37 K149 | S33-A35 PolarHBondContact O-N 2.76Å; S33-A35 PolarHBondContact OG-N 2.77Å; S33-D36 WeakPolarHBondContact CB-OD2 3.35Å; S33-D36 PolarHBondContact N-OD2 3.37Å; S33-D36 WeakPolarHBondContact O-CB 3.11Å; S33-D36 PolarHBondContact O-N 2.88Å; S33-D36 PolarHBondContact OG-N 2.63Å; S33-D36 PolarHBondContact OG-OD2 3.23Å; S33-L37 PolarHBondContact O-N 3.05Å; S33-K149 WeakPolarHBondContact O-CG 3.25Å |
| 34 | T | 93.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -21.5 | 167.4 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | R38 N90 E92 I147 | T34-R38 WeakPolarHBondContact O-CG 3.17Å; T34-R38 PolarHBondContact O-N 3.44Å; T34-R38 PolarHBondContact O-NH1 3Å; T34-R38 PolarHBondContact OG1-NH1 3.4Å; T34-N90 HydrophobicContact CG2-CB 4.36Å; T34-E92 WeakPolarHBondContact CB-OE1 3.49Å; T34-E92 HydrophobicContact CG2-CG 4.13Å; T34-E92 PolarHBondContact OG1-OE1 2.84Å; T34-I147 HydrophobicContact CG2-CG2 4.05Å |
| 35 | A | 91.3 | Very high | 90.5 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 29% | 0.289 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72.4 | -32.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S33 R38 | S33-A35 PolarHBondContact O-N 2.76Å; S33-A35 PolarHBondContact OG-N 2.77Å; A35-R38 PolarHBondContact O-N 2.88Å |
| 36 | D | 90.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 172.8 | -59.2 | -51.8 | 0 | 0 | 0 | 111.4 | W29 T32 S33 R38 K39 | W29-D36 PolarHBondContact NE1-O 2.73Å; T32-D36 PolarHBondContact N-OD2 2.99Å; S33-D36 WeakPolarHBondContact CB-OD2 3.35Å; S33-D36 PolarHBondContact N-OD2 3.37Å; S33-D36 WeakPolarHBondContact O-CB 3.11Å; S33-D36 PolarHBondContact O-N 2.88Å; S33-D36 PolarHBondContact OG-N 2.63Å; S33-D36 PolarHBondContact OG-OD2 3.23Å; D36-R38 VanDerWaalsContact C-N 3.27Å; D36-R38 PolarHBondContact O-N 3.4Å; D36-K39 WeakPolarHBondContact O-CB 3.49Å; D36-K39 PolarHBondContact O-N 3.43Å; D36-K39 IonicContact OD1-NZ 2.74Å; D36-K39 PolarHBondContact OD1-NZ 2.86Å |
| 37 | L | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | 175.6 | -173.7 | 55.1 | 0 | 0 | 0 | 112.4 | F26 S33 K39 N40 Y43 I147 K149 | F26-L37 HydrophobicContact CB-CD1 4.15Å; F26-L37 HydrophobicContact CG-CD1 4.41Å; S33-L37 PolarHBondContact O-N 3.05Å; L37-K39 PolarHBondContact O-N 2.86Å; L37-N40 VanDerWaalsContact O-CB 3.27Å; L37-N40 WeakPolarHBondContact O-CB 3.41Å; L37-N40 PolarHBondContact O-N 3.2Å; L37-N40 VanDerWaalsContact O-N 3.1Å; L37-Y43 HydrophobicContact CD1-CD2 3.98Å; L37-Y43 HydrophobicContact CD1-CE2 4.39Å; L37-Y43 HydrophobicContact CD2-CD2 4.1Å; L37-Y43 HydrophobicContact CD2-CE2 3.65Å; L37-Y43 HydrophobicContact CG-CD2 3.71Å; L37-Y43 HydrophobicContact CG-CE2 3.75Å; L37-Y43 HydrophobicContact CG-CG 4.22Å; L37-I147 HydrophobicContact CD2-CG2 3.94Å; L37-K149 HydrophobicContact CB-CD 4.08Å |
| 38 | R | 91.9 | Very high | 90.5 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 15% | 0.147 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.7 | 178.7 | -67.4 | 172.7 | -179 | 111.7 | -10.8 | 114.2 | T34 A35 D36 Y43 E92 A201 E204 | T34-R38 WeakPolarHBondContact O-CG 3.17Å; T34-R38 PolarHBondContact O-N 3.44Å; T34-R38 PolarHBondContact O-NH1 3Å; T34-R38 PolarHBondContact OG1-NH1 3.4Å; A35-R38 PolarHBondContact O-N 2.88Å; D36-R38 VanDerWaalsContact C-N 3.27Å; D36-R38 PolarHBondContact O-N 3.4Å; R38-Y43 HydrophobicContact CG-CD1 4.28Å; R38-Y43 HydrophobicContact CG-CE1 3.98Å; R38-E92 IonicContact CZ-OE1 2.9Å; R38-E92 IonicContact CZ-OE2 2.82Å; R38-E92 IonicContact NH1-OE1 2.74Å; R38-E92 PolarHBondContact NH1-OE1 3.28Å; R38-E92 IonicContact NH1-OE2 3.77Å; R38-E92 VanDerWaalsContact NH2-CD 3.33Å; R38-E92 IonicContact NH2-OE1 3.73Å; R38-E92 PolarHBondContact NH2-OE1 3.07Å; R38-E92 IonicContact NH2-OE2 2.69Å; R38-E92 PolarHBondContact NH2-OE2 3.35Å; R38-A201 VanDerWaalsContact CZ-O 3.26Å; R38-A201 PolarHBondContact NE-O 3.39Å; R38-A201 PolarHBondContact NH2-O 3.29Å; R38-E204 HydrophobicContact CB-CG 3.97Å |
| 39 | K | 90.4 | Very high | 91 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -11.6 | 172.4 | -59.3 | 166.3 | -161 | 165.4 | 0 | 113 | W29 D36 L37 L41 T883 | W29-K39 HydrophobicContact CZ2-CB 4.1Å; D36-K39 WeakPolarHBondContact O-CB 3.49Å; D36-K39 PolarHBondContact O-N 3.43Å; D36-K39 IonicContact OD1-NZ 2.74Å; D36-K39 PolarHBondContact OD1-NZ 2.86Å; L37-K39 PolarHBondContact O-N 2.86Å; K39-L41 PolarHBondContact O-N 3.45Å; K39-T883 HydrophobicContact CB-CG2 4.12Å; K39-T883 WeakPolarHBondContact O-CG2 3.33Å |
| 40 | N | 90.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 29.9 Ų | 29.9 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -68 | 121.9 | 176.3 | -171.4 | -37.2 | 0 | 0 | 0 | 109.2 | W29 L37 H42 Y43 | W29-N40 WeakPolarHBondContact CB-ND2 3.25Å; W29-N40 HydrophobicContact CD2-CB 3.73Å; W29-N40 HydrophobicContact CE3-CB 4.23Å; W29-N40 HydrophobicContact CG-CB 4.02Å; W29-N40 VanDerWaalsContact CG-ND2 3.33Å; W29-N40 HydrophobicContact CZ2-CB 4.07Å; L37-N40 VanDerWaalsContact O-CB 3.27Å; L37-N40 WeakPolarHBondContact O-CB 3.41Å; L37-N40 PolarHBondContact O-N 3.2Å; L37-N40 VanDerWaalsContact O-N 3.1Å; N40-H42 PolarHBondContact O-N 2.92Å; N40-H42 WeakPolarHBondContact OD1-CB 3.28Å; N40-H42 PolarHBondContact OD1-N 2.89Å; N40-Y43 WeakPolarHBondContact O-CB 3.41Å; N40-Y43 PolarHBondContact O-N 3.33Å |
| 41 | L | 90 | Very high | 91.2 | Very high | 81 Ų | 81 | 31 Ų | 31 | 42% | 0.424 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -28 | -179.1 | -177.3 | 58.8 | 0 | 0 | 0 | 113.7 | K39 Q771 | K39-L41 PolarHBondContact O-N 3.45Å; L41-Q771 HydrophobicContact CD2-CG 3.78Å |
| 42 | H | 91.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.5 | 178.9 | -65 | 114.1 | 0 | 0 | 0 | 114.6 | N40 L45 Y46 W768 | N40-H42 PolarHBondContact O-N 2.92Å; N40-H42 WeakPolarHBondContact OD1-CB 3.28Å; N40-H42 PolarHBondContact OD1-N 2.89Å; H42-L45 PolarHBondContact O-N 3.28Å; H42-Y46 WeakPolarHBondContact CB-O 3.38Å; H42-Y46 PolarHBondContact O-N 3.35Å; H42-W768 AromaticContact CE1-CD2 3.5Å; H42-W768 AromaticContact CE1-CE2 3.57Å; H42-W768 AromaticContact CE1-CE3 3.53Å; H42-W768 AromaticContact CE1-CH2 3.62Å; H42-W768 AromaticContact CE1-CZ2 3.65Å; H42-W768 AromaticContact CE1-CZ3 3.58Å; H42-W768 AromaticContact NE2-CD2 3.86Å; H42-W768 AromaticContact NE2-CE3 3.81Å |
| 43 | Y | 93.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 30 Ų | 30 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 134.1 | -177.9 | -172.5 | -90 | 0 | 0 | 0 | 110.8 | F26 L37 R38 N40 R68 I147 S202 | F26-Y43 HydrophobicContact CD1-CD2 4.06Å; F26-Y43 AromaticContact CD2-CD2 3.81Å; F26-Y43 HydrophobicContact CD2-CD2 3.81Å; F26-Y43 HydrophobicContact CD2-CE2 4.11Å; F26-Y43 AromaticContact CE1-CD2 3.77Å; F26-Y43 HydrophobicContact CE1-CD2 3.77Å; F26-Y43 HydrophobicContact CE1-CG 4.39Å; F26-Y43 AromaticContact CE2-CD2 3.51Å; F26-Y43 HydrophobicContact CE2-CD2 3.51Å; F26-Y43 AromaticContact CE2-CE2 3.69Å; F26-Y43 HydrophobicContact CE2-CE2 3.69Å; F26-Y43 HydrophobicContact CG-CD2 4.1Å; F26-Y43 AromaticContact CZ-CD2 3.5Å; F26-Y43 HydrophobicContact CZ-CD2 3.5Å; F26-Y43 VanDerWaalsContact CZ-CD2 3.5Å; F26-Y43 HydrophobicContact CZ-CE2 4.03Å; F26-Y43 HydrophobicContact CZ-CG 4.37Å; L37-Y43 HydrophobicContact CD1-CD2 3.98Å; L37-Y43 HydrophobicContact CD1-CE2 4.39Å; L37-Y43 HydrophobicContact CD2-CD2 4.1Å; L37-Y43 HydrophobicContact CD2-CE2 3.65Å; L37-Y43 HydrophobicContact CG-CD2 3.71Å; L37-Y43 HydrophobicContact CG-CE2 3.75Å; L37-Y43 HydrophobicContact CG-CG 4.22Å; R38-Y43 HydrophobicContact CG-CD1 4.28Å; R38-Y43 HydrophobicContact CG-CE1 3.98Å; N40-Y43 WeakPolarHBondContact O-CB 3.41Å; N40-Y43 PolarHBondContact O-N 3.33Å; Y43-R68 HydrophobicContact CE2-CB 4.39Å; Y43-I147 WeakPolarHBondContact OH-CD1 3.34Å; Y43-S202 VanDerWaalsContact CE1-O 3.31Å; Y43-S202 WeakPolarHBondContact CE1-O 3.29Å |
| 44 | P | 94.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -96.2 | 3.5 | 2.5 | 40.2 | -40.1 | 0 | 0 | 0 | 114.5 | ||
| 45 | L | 93.4 | Very high | 91.8 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -36.7 | -162.4 | -68.9 | 170.7 | 0 | 0 | 0 | 115.1 | H42 P47 R50 V193 I196 Q198 | H42-L45 PolarHBondContact O-N 3.28Å; L45-P47 WeakPolarHBondContact O-CD 3.32Å; L45-R50 PolarHBondContact O-NH2 3.33Å; L45-V193 HydrophobicContact CB-CB 4.36Å; L45-V193 HydrophobicContact CB-CG1 4.33Å; L45-V193 HydrophobicContact CD2-CB 4.11Å; L45-V193 HydrophobicContact CD2-CG2 4.34Å; L45-V193 WeakPolarHBondContact O-CG1 3.46Å; L45-I196 HydrophobicContact CD2-CB 4.34Å; L45-I196 WeakPolarHBondContact O-CD1 3.3Å; L45-Q198 VanDerWaalsContact CD2-NE2 3.29Å |
| 46 | Y | 92.5 | Very high | 92 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | trans | -118.7 | 65.4 | -169.9 | -55.7 | -77.3 | 0 | 0 | 0 | 111.8 | H42 V193 R767 Q770 | H42-Y46 WeakPolarHBondContact CB-O 3.38Å; H42-Y46 PolarHBondContact O-N 3.35Å; Y46-V193 HydrophobicContact CD1-CG1 3.68Å; Y46-V193 HydrophobicContact CE1-CG1 3.45Å; Y46-V193 VanDerWaalsContact CE1-CG1 3.45Å; Y46-V193 HydrophobicContact CE1-CG2 4.33Å; Y46-V193 HydrophobicContact CG-CG1 4.5Å; Y46-R767 HydrophobicContact CG-CB 4.43Å; Y46-Q770 HydrophobicContact CE1-CG 4.14Å | ||
| 47 | P | 92 | Very high | 92.1 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | trans | -59.9 | 162.8 | 174.9 | 27.9 | -35.1 | 0 | 0 | 0 | 111.9 | H24 V25 F26 L45 R50 M190 | H24-P47 HydrophobicContact CB-CB 3.91Å; H24-P47 HydrophobicContact CB-CG 4.03Å; V25-P47 CarbonylContact O-C 3.53Å; V25-P47 VanDerWaalsContact O-CB 3.31Å; V25-P47 WeakPolarHBondContact O-CB 3.48Å; F26-P47 HydrophobicContact CD1-CB 4.3Å; F26-P47 HydrophobicContact CD2-CB 4.46Å; F26-P47 VanDerWaalsContact CE1-CA 3.48Å; F26-P47 HydrophobicContact CE1-CB 3.88Å; F26-P47 HydrophobicContact CE2-CB 4.05Å; F26-P47 HydrophobicContact CZ-CB 3.73Å; F26-P47 HydrophobicContact CZ-CG 4.44Å; L45-P47 WeakPolarHBondContact O-CD 3.32Å; P47-R50 HydrophobicContact CG-CG 3.83Å; P47-M190 HydrophobicContact CG-CE 4.19Å; P47-M190 WeakPolarHBondContact O-CE 3.24Å | ||
| 48 | H | 88.5 | Confident | 92.1 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 18% | 0.181 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73.5 | -31.8 | 171.1 | -70.2 | 53.8 | 0 | 0 | 0 | 111.7 | V25 E27 R767 | V25-H48 WeakPolarHBondContact O-CB 3.46Å; V25-H48 PolarHBondContact O-N 3.46Å; E27-H48 HydrophobicContact CB-CB 4.38Å; E27-H48 VanDerWaalsContact CB-CD2 3.45Å; E27-H48 WeakPolarHBondContact CB-CD2 3.19Å; E27-H48 HydrophobicContact CG-CB 3.93Å; E27-H48 PolarHBondContact N-ND1 2.96Å; E27-H48 PolarHBondContact O-CE1 2.78Å; E27-H48 PolarHBondContact O-NE2 2.82Å; H48-R767 PolarHBondContact CD2-NH1 2.89Å; H48-R767 VanDerWaalsContact NE2-CZ 3.29Å; H48-R767 PolarHBondContact NE2-NH1 2.82Å; H48-R767 PolarHBondContact NE2-NH2 2.87Å |
| 49 | S | 88.6 | Confident | 91.9 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.5 | 179.2 | -175 | 0 | 0 | 0 | 0 | 111.5 | V25 | V25-S49 PolarHBondContact N-O 3.02Å; V25-S49 PolarHBondContact O-N 3.45Å |
| 50 | R | 90.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.4 | 170.6 | -62.3 | 175.1 | -180 | 155 | 6.3 | 107.6 | L45 P47 E185 R189 M190 Y192 | L45-R50 PolarHBondContact O-NH2 3.33Å; P47-R50 HydrophobicContact CG-CG 3.83Å; R50-E185 WeakPolarHBondContact CD-OE1 3.49Å; R50-E185 IonicContact NE-OE1 3.31Å; R50-R189 PolarHBondContact NH1-O 2.75Å; R50-M190 HydrophobicContact CG-CE 4.12Å; R50-M190 HydrophobicContact CG-SD 4.09Å; R50-M190 PolarHBondContact NH2-O 3.45Å; R50-Y192 VanDerWaalsContact CZ-O 3.3Å; R50-Y192 PolarHBondContact NH1-O 3.49Å; R50-Y192 PolarHBondContact NH2-O 3.39Å |
| 51 | T | 91.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | -171.7 | -177.4 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | L23 | L23-T51 HydrophobicContact CB-CG2 3.96Å; L23-T51 HydrophobicContact CD2-CG2 3.8Å; L23-T51 HydrophobicContact CG-CG2 3.89Å; L23-T51 PolarHBondContact N-O 2.93Å; L23-T51 PolarHBondContact O-N 3.18Å |
| 52 | T | 94.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.5 | 177.9 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | Q20 A21 L181 | Q20-T52 PolarHBondContact NE2-OG1 3.28Å; A21-T52 CarbonylContact O-C 3.5Å; A21-T52 WeakPolarHBondContact O-CA 3.4Å; A21-T52 WeakPolarHBondContact O-CB 3.48Å; T52-L181 HydrophobicContact CG2-CD1 4.41Å; T52-L181 HydrophobicContact CG2-CD2 3.62Å |
| 53 | V | 94.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.4 | 175.1 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | Q20 A21 L23 V58 I69 | Q20-V53 CarbonylContact C-O 3.44Å; Q20-V53 VanDerWaalsContact CA-O 3.26Å; Q20-V53 WeakPolarHBondContact CA-O 3.36Å; A21-V53 HydrophobicContact CB-CG2 4.13Å; A21-V53 PolarHBondContact N-O 2.78Å; A21-V53 PolarHBondContact O-N 3.37Å; L23-V53 HydrophobicContact CB-CG1 4.01Å; L23-V53 HydrophobicContact CD2-CG1 3.62Å; L23-V53 HydrophobicContact CG-CG1 4.42Å; V53-V58 HydrophobicContact CB-CG2 4.49Å; V53-V58 HydrophobicContact CG1-CG2 3.92Å; V53-I69 HydrophobicContact CG2-CG2 3.72Å |
| 54 | Q | 91.9 | Very high | 90.1 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -93.3 | -2.2 | -179.3 | -64.6 | -179.4 | -1 | 0 | 0 | 113.8 | Q20 S176 | Q20-Q54 HydrophobicContact CG-CG 4.3Å; Q54-S176 WeakPolarHBondContact O-CA 3.49Å; Q54-S176 WeakPolarHBondContact O-CB 3.39Å; Q54-S176 PolarHBondContact O-N 3.1Å |
| 55 | K | 93.2 | Very high | 89.9 | Confident | 109 Ų | 109 | 45.2 Ų | 45.2 | 47% | 0.474 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -154.5 | 155.2 | 174.1 | 60 | 170.1 | -173.8 | 154.5 | 0 | 109 | A57 I174 | K55-A57 HydrophobicContact CD-CB 4.01Å; K55-A57 VanDerWaalsContact CE-O 3.26Å; K55-A57 WeakPolarHBondContact CE-O 3.37Å; K55-A57 HydrophobicContact CG-CB 4.34Å; K55-A57 PolarHBondContact O-N 2.75Å; K55-I174 WeakPolarHBondContact CA-O 3.43Å |
| 56 | L | 95.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -83.6 | 60.8 | 172.6 | -53.2 | -170.8 | 0 | 0 | 0 | 110.5 | A21 I69 F144 E159 V160 I174 I179 | A21-L56 HydrophobicContact CB-CD2 4.41Å; L56-I69 HydrophobicContact CD2-CG2 3.83Å; L56-F144 HydrophobicContact CD1-CD2 4.2Å; L56-F144 HydrophobicContact CD1-CE2 3.71Å; L56-F144 HydrophobicContact CD1-CZ 4.03Å; L56-F144 HydrophobicContact CD2-CE2 3.68Å; L56-F144 HydrophobicContact CD2-CZ 3.77Å; L56-F144 HydrophobicContact CG-CE2 4.38Å; L56-F144 HydrophobicContact CG-CZ 4.5Å; L56-E159 CarbonylContact O-C 3.55Å; L56-E159 VanDerWaalsContact O-CA 3.23Å; L56-E159 WeakPolarHBondContact O-CA 3.32Å; L56-V160 HydrophobicContact CB-CB 3.93Å; L56-V160 HydrophobicContact CD1-CB 4.17Å; L56-V160 HydrophobicContact CD1-CG1 4.37Å; L56-V160 PolarHBondContact O-N 3.26Å; L56-I174 HydrophobicContact CB-CB 4.27Å; L56-I174 HydrophobicContact CD1-CB 3.97Å; L56-I174 HydrophobicContact CD1-CD1 4.26Å; L56-I174 HydrophobicContact CD1-CG2 4.05Å; L56-I174 HydrophobicContact CG-CB 4.09Å; L56-I174 HydrophobicContact CG-CG2 4.27Å; L56-I174 PolarHBondContact N-O 2.94Å; L56-I179 HydrophobicContact CG-CG2 4.47Å |
| 57 | A | 93.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 113.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K55 V158 E159 V173 | K55-A57 HydrophobicContact CD-CB 4.01Å; K55-A57 VanDerWaalsContact CE-O 3.26Å; K55-A57 WeakPolarHBondContact CE-O 3.37Å; K55-A57 HydrophobicContact CG-CB 4.34Å; K55-A57 PolarHBondContact O-N 2.75Å; A57-V158 CarbonylContact C-O 3.47Å; A57-V158 WeakPolarHBondContact CA-O 3.43Å; A57-E159 HydrophobicContact CB-CB 3.61Å; A57-V173 HydrophobicContact CB-CG1 3.8Å |
| 58 | V | 91.9 | Very high | 90.3 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.3 | -168.6 | -170 | 0 | 0 | 0 | 0 | 110 | V53 P60 L67 I69 H157 V158 | V53-V58 HydrophobicContact CB-CG2 4.49Å; V53-V58 HydrophobicContact CG1-CG2 3.92Å; V58-P60 HydrophobicContact CG1-CG 4.37Å; V58-L67 HydrophobicContact CB-CD1 4.41Å; V58-L67 HydrophobicContact CG1-CD1 4.11Å; V58-I69 HydrophobicContact CG2-CD1 3.77Å; V58-H157 CarbonylContact O-C 3.45Å; V58-H157 VanDerWaalsContact O-CA 3.26Å; V58-H157 WeakPolarHBondContact O-CA 3.23Å; V58-V158 PolarHBondContact N-O 3.07Å; V58-V158 PolarHBondContact O-N 2.72Å |
| 59 | S | 89.3 | Confident | 90.8 | Very high | 60 Ų | 60 | 39 Ų | 39 | 42% | 0.42 | 21% | 0.206 | S | C | . | . | trans | -138 | 105.4 | 168.4 | 164.8 | 0 | 0 | 0 | 0 | 107.2 | Q61 D156 | S59-Q61 VanDerWaalsContact C-N 3.33Å; S59-D156 WeakPolarHBondContact CA-O 3.48Å; S59-D156 WeakPolarHBondContact CB-O 3.36Å; S59-D156 PolarHBondContact OG-O 2.99Å; S59-D156 PolarHBondContact OG-OD1 3.23Å; S59-D156 VanDerWaalsContact OG-OD1 3.07Å | ||
| 60 | P | 80.8 | Confident | 91.2 | Very high | 32 Ų | 32 | 37 Ų | 37 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | trans | -69.3 | -22 | 177.8 | -25.3 | 36.2 | 0 | 0 | 0 | 115.6 | V58 W62 Y65 L67 D156 | V58-P60 HydrophobicContact CG1-CG 4.37Å; P60-W62 HydrophobicContact CB-CB 4.13Å; P60-W62 HydrophobicContact CB-CD2 3.91Å; P60-W62 HydrophobicContact CB-CE3 4.32Å; P60-W62 HydrophobicContact CB-CG 3.87Å; P60-W62 PolarHBondContact O-NE1 2.89Å; P60-W62 VanDerWaalsContact O-NE1 3.16Å; P60-Y65 HydrophobicContact CB-CE1 4.24Å; P60-Y65 HydrophobicContact CG-CE1 4Å; P60-Y65 HydrophobicContact CG-CE2 4.27Å; P60-L67 HydrophobicContact CG-CD1 4.15Å; P60-L67 HydrophobicContact CG-CD2 4.36Å; P60-D156 WeakPolarHBondContact CD-OD2 3.48Å | ||
| 61 | Q | 81.9 | Confident | 91.5 | Very high | 167 Ų | 167 | 35.6 Ų | 35.6 | 78% | 0.78 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 64.4 | 35.6 | -166.5 | -54.9 | -167.8 | -35.7 | 0 | 0 | 113.5 | S59 D156 | S59-Q61 VanDerWaalsContact C-N 3.33Å; Q61-D156 WeakPolarHBondContact CA-OD1 3.34Å; Q61-D156 VanDerWaalsContact CA-OD2 3.29Å; Q61-D156 WeakPolarHBondContact CA-OD2 3Å; Q61-D156 VanDerWaalsContact N-CG 3.29Å; Q61-D156 PolarHBondContact N-OD1 2.78Å; Q61-D156 PolarHBondContact N-OD2 2.89Å |
| 62 | W | 82.6 | Confident | 91.8 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 22% | 0.223 | 18% | 0.176 | C | C | . | . | trans | -122.7 | 173.4 | -175.4 | -60 | -4.3 | 0 | 0 | 0 | 111.8 | V25 E27 P60 Y65 D156 R368 | V25-W62 HydrophobicContact CG1-CZ3 3.93Å; E27-W62 HydrophobicContact CG-CE3 4.4Å; E27-W62 HydrophobicContact CG-CZ3 4.01Å; E27-W62 WeakPolarHBondContact OE1-CZ3 3.3Å; P60-W62 HydrophobicContact CB-CB 4.13Å; P60-W62 HydrophobicContact CB-CD2 3.91Å; P60-W62 HydrophobicContact CB-CE3 4.32Å; P60-W62 HydrophobicContact CB-CG 3.87Å; P60-W62 PolarHBondContact O-NE1 2.89Å; P60-W62 VanDerWaalsContact O-NE1 3.16Å; W62-Y65 HydrophobicContact CB-CD1 3.67Å; W62-Y65 HydrophobicContact CB-CE1 4Å; W62-Y65 WeakPolarHBondContact O-CE1 3.46Å; W62-D156 PolarHBondContact N-OD2 3.3Å; W62-R368 VanDerWaalsContact CZ2-CZ 3.42Å | ||
| 63 | T | 84.3 | Confident | 91.9 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -126.8 | 165 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | Y65 N151 Y362 | T63-Y65 VanDerWaalsContact C-N 3.29Å; T63-Y65 PolarHBondContact O-N 3.2Å; T63-N151 CarbonylContact C-O 3.58Å; T63-N151 WeakPolarHBondContact CA-O 3.21Å; T63-N151 WeakPolarHBondContact CB-O 2.99Å; T63-Y362 PolarHBondContact OG1-OH 2.94Å |
| 64 | N | 87.8 | Confident | 92 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 48.1 | 44.4 | 175.9 | -71.5 | -54 | 0 | 0 | 0 | 114.7 | W29 C30 Q150 N151 D152 | W29-N64 PolarHBondContact N-O 3.15Å; W29-N64 CarbonylContact O-C 3.51Å; W29-N64 VanDerWaalsContact O-O 3.06Å; C30-N64 WeakPolarHBondContact CA-OD1 3.21Å; C30-N64 VanDerWaalsContact SG-CG 3.53Å; C30-N64 PolarHBondContact SG-OD1 2.8Å; N64-Q150 VanDerWaalsContact CA-O 3.29Å; N64-Q150 WeakPolarHBondContact CA-O 3.19Å; N64-Q150 PolarHBondContact N-O 2.94Å; N64-N151 PolarHBondContact N-O 3.11Å; N64-D152 PolarHBondContact OD1-N 2.92Å |
| 65 | Y | 89.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | trans | -115.1 | 167.1 | 176.8 | 70.4 | -105.8 | 0 | 0 | 0 | 112.2 | F26 P60 W62 T63 L67 H148 K149 Q150 D156 | F26-Y65 CarbonylContact O-C 3.57Å; F26-Y65 WeakPolarHBondContact O-CA 3.36Å; F26-Y65 WeakPolarHBondContact O-CB 3.41Å; P60-Y65 HydrophobicContact CB-CE1 4.24Å; P60-Y65 HydrophobicContact CG-CE1 4Å; P60-Y65 HydrophobicContact CG-CE2 4.27Å; W62-Y65 HydrophobicContact CB-CD1 3.67Å; W62-Y65 HydrophobicContact CB-CE1 4Å; W62-Y65 WeakPolarHBondContact O-CE1 3.46Å; T63-Y65 VanDerWaalsContact C-N 3.29Å; T63-Y65 PolarHBondContact O-N 3.2Å; Y65-L67 HydrophobicContact CD2-CD2 3.7Å; Y65-L67 HydrophobicContact CD2-CG 3.76Å; Y65-L67 HydrophobicContact CE2-CD1 3.96Å; Y65-L67 HydrophobicContact CE2-CD2 3.91Å; Y65-L67 HydrophobicContact CE2-CG 3.58Å; Y65-H148 AromaticContact CE2-CD2 3.66Å; Y65-H148 AromaticContact CE2-NE2 3.36Å; Y65-H148 WeakPolarHBondContact CE2-NE2 3.42Å; Y65-H148 AromaticContact CZ-NE2 3.57Å; Y65-H148 PolarHBondContact OH-NE2 3.07Å; Y65-K149 WeakPolarHBondContact O-CD 3.36Å; Y65-K149 PolarHBondContact O-NZ 3.41Å; Y65-Q150 HydrophobicContact CD1-CB 3.86Å; Y65-Q150 HydrophobicContact CD1-CG 4.29Å; Y65-Q150 HydrophobicContact CD2-CB 4.04Å; Y65-Q150 HydrophobicContact CE1-CB 3.5Å; Y65-Q150 HydrophobicContact CE1-CG 3.7Å; Y65-Q150 HydrophobicContact CE2-CB 3.61Å; Y65-Q150 HydrophobicContact CG-CB 4.13Å; Y65-Q150 PolarHBondContact N-O 3.47Å; Y65-Q150 PolarHBondContact O-N 2.87Å; Y65-D156 HydrophobicContact CE1-CB 4.11Å; Y65-D156 WeakPolarHBondContact CE1-OD2 3.48Å; Y65-D156 WeakPolarHBondContact OH-CB 3.26Å; Y65-D156 PolarHBondContact OH-OD2 3.26Å | ||
| 66 | G | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F26 H148 | F26-G66 PolarHBondContact N-O 3.23Å; F26-G66 PolarHBondContact O-N 3.01Å; G66-H148 CarbonylContact C-O 3.5Å; G66-H148 VanDerWaalsContact CA-O 3.25Å; G66-H148 WeakPolarHBondContact CA-O 3.47Å |
| 67 | L | 95.3 | Very high | 92 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.1 | 174.5 | -52.3 | -176.5 | 0 | 0 | 0 | 110.4 | L23 V25 V58 P60 Y65 I147 H148 V158 | L23-L67 HydrophobicContact CD1-CB 3.94Å; L23-L67 HydrophobicContact CD1-CD2 4.12Å; L23-L67 HydrophobicContact CD1-CG 4.39Å; V25-L67 HydrophobicContact CB-CD2 4.36Å; V25-L67 HydrophobicContact CG1-CD2 3.92Å; V25-L67 HydrophobicContact CG2-CD2 4.02Å; V58-L67 HydrophobicContact CB-CD1 4.41Å; V58-L67 HydrophobicContact CG1-CD1 4.11Å; P60-L67 HydrophobicContact CG-CD1 4.15Å; P60-L67 HydrophobicContact CG-CD2 4.36Å; Y65-L67 HydrophobicContact CD2-CD2 3.7Å; Y65-L67 HydrophobicContact CD2-CG 3.76Å; Y65-L67 HydrophobicContact CE2-CD1 3.96Å; Y65-L67 HydrophobicContact CE2-CD2 3.91Å; Y65-L67 HydrophobicContact CE2-CG 3.58Å; L67-I147 WeakPolarHBondContact O-CA 3.1Å; L67-H148 PolarHBondContact N-O 3.02Å; L67-H148 PolarHBondContact O-N 3.3Å; L67-V158 HydrophobicContact CD1-CG1 4.05Å |
| 68 | R | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 107.2 | 166.1 | -176.2 | -166.9 | -174.5 | -157.9 | 1.5 | 108.7 | H24 F26 Y43 F70 E145 V146 I196 P197 S202 | H24-R68 HydrophobicContact CB-CB 4.28Å; H24-R68 PolarHBondContact N-O 3.01Å; H24-R68 PolarHBondContact O-N 3.41Å; F26-R68 HydrophobicContact CE2-CB 4.34Å; Y43-R68 HydrophobicContact CE2-CB 4.39Å; R68-F70 HydrophobicContact CG-CD1 4.24Å; R68-E145 HydrophobicContact CG-CG 4.23Å; R68-E145 IonicContact CZ-OE1 2.74Å; R68-E145 IonicContact CZ-OE2 3.72Å; R68-E145 VanDerWaalsContact NE-CD 3.27Å; R68-E145 IonicContact NE-OE1 3.93Å; R68-E145 PolarHBondContact NE-OE1 3.49Å; R68-E145 IonicContact NE-OE2 3.75Å; R68-E145 IonicContact NH2-OE1 2.86Å; R68-E145 PolarHBondContact NH2-OE1 3.34Å; R68-E145 VanDerWaalsContact NH2-OE1 3.13Å; R68-E145 IonicContact NH2-OE2 3.22Å; R68-E145 PolarHBondContact NH2-OE2 3.14Å; R68-V146 CarbonylContact C-O 3.56Å; R68-V146 WeakPolarHBondContact CA-O 3.24Å; R68-I196 VanDerWaalsContact NH1-CG2 3.26Å; R68-P197 PolarHBondContact NH1-O 2.96Å; R68-P197 PolarHBondContact NH2-O 3.33Å; R68-S202 PolarHBondContact NE-OG 3.34Å; R68-S202 PolarHBondContact NH2-OG 2.73Å; R68-S202 VanDerWaalsContact NH2-OG 3.07Å |
| 69 | I | 97.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.2 | 176.6 | -53.1 | 165.5 | 0 | 0 | 0 | 108.1 | A21 N22 L23 V53 L56 V58 F144 E145 V146 V158 | A21-I69 HydrophobicContact CB-CG2 4.12Å; N22-I69 CarbonylContact O-C 3.17Å; N22-I69 VanDerWaalsContact O-CA 3.27Å; N22-I69 WeakPolarHBondContact O-CA 3.16Å; N22-I69 WeakPolarHBondContact O-CG2 3.48Å; L23-I69 HydrophobicContact CD1-CG1 3.74Å; V53-I69 HydrophobicContact CG2-CG2 3.72Å; L56-I69 HydrophobicContact CD2-CG2 3.83Å; V58-I69 HydrophobicContact CG2-CD1 3.77Å; I69-F144 HydrophobicContact CG2-CE2 4.27Å; I69-E145 CarbonylContact O-C 3.57Å; I69-E145 WeakPolarHBondContact O-CA 3.46Å; I69-V146 HydrophobicContact CB-CB 4.2Å; I69-V146 HydrophobicContact CB-CG2 4.44Å; I69-V146 PolarHBondContact N-O 2.96Å; I69-V146 PolarHBondContact O-N 2.97Å; I69-V158 HydrophobicContact CD1-CG1 4.42Å |
| 70 | F | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 157.9 | -179.2 | 63.8 | -81.7 | 0 | 0 | 0 | 112.9 | N22 H24 R68 F143 F144 E145 Y182 P197 | N22-F70 HydrophobicContact CB-CD1 3.96Å; N22-F70 HydrophobicContact CB-CD2 4Å; N22-F70 HydrophobicContact CB-CE1 3.62Å; N22-F70 HydrophobicContact CB-CE2 3.67Å; N22-F70 HydrophobicContact CB-CG 4.14Å; N22-F70 HydrophobicContact CB-CZ 3.46Å; N22-F70 VanDerWaalsContact CB-CZ 3.46Å; N22-F70 WeakPolarHBondContact CB-O 3.44Å; N22-F70 PolarHBondContact N-O 3.1Å; N22-F70 PolarHBondContact O-N 3.19Å; H24-F70 AromaticContact CD2-CE1 3.82Å; H24-F70 AromaticContact CE1-CE1 3.61Å; H24-F70 AromaticContact CE1-CZ 3.63Å; H24-F70 AromaticContact CG-CE1 3.86Å; H24-F70 AromaticContact ND1-CE1 3.74Å; H24-F70 AromaticContact NE2-CE1 3.66Å; H24-F70 AromaticContact NE2-CZ 3.64Å; R68-F70 HydrophobicContact CG-CD1 4.24Å; F70-F143 HydrophobicContact CB-CE2 4.42Å; F70-F143 HydrophobicContact CB-CZ 4.04Å; F70-F143 HydrophobicContact CD2-CE2 4.23Å; F70-F143 HydrophobicContact CD2-CZ 4.36Å; F70-F144 VanDerWaalsContact CA-O 3.29Å; F70-F144 WeakPolarHBondContact CA-O 3.47Å; F70-F144 WeakPolarHBondContact CB-O 3.34Å; F70-E145 HydrophobicContact CB-CB 4.42Å; F70-E145 HydrophobicContact CB-CG 4.36Å; F70-Y182 HydrophobicContact CD2-CD1 4.31Å; F70-Y182 HydrophobicContact CD2-CG 4.18Å; F70-Y182 AromaticContact CE2-CD1 3.9Å; F70-Y182 HydrophobicContact CE2-CD1 3.9Å; F70-Y182 HydrophobicContact CE2-CG 4.19Å; F70-P197 HydrophobicContact CD2-CG 3.95Å; F70-P197 HydrophobicContact CE2-CG 3.96Å |
| 71 | G | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -158.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F143 F144 | G71-F143 WeakPolarHBondContact O-CA 3.29Å; G71-F143 WeakPolarHBondContact O-CD2 3.27Å; G71-F144 VanDerWaalsContact C-CE1 3.43Å; G71-F144 PolarHBondContact N-O 3.41Å; G71-F144 WeakPolarHBondContact O-CD1 3.49Å; G71-F144 PolarHBondContact O-N 3.03Å |
| 72 | Y | 97.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 24.1 Ų | 24.1 | 8% | 0.078 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.4 | 171.3 | -64.2 | -70.9 | 0 | 0 | 0 | 111.5 | H74 Q99 R141 Y142 F143 I179 S180 L181 Y182 | Y72-H74 PolarHBondContact O-CD2 3.39Å; Y72-H74 VanDerWaalsContact O-CD2 3.3Å; Y72-Q99 HydrophobicContact CD1-CB 4.5Å; Y72-Q99 HydrophobicContact CE1-CB 4.02Å; Y72-Q99 WeakPolarHBondContact CE1-O 3.17Å; Y72-R141 HydrophobicContact CD1-CG 4.02Å; Y72-R141 VanDerWaalsContact CE2-NH1 3.33Å; Y72-R141 HydrophobicContact CG-CG 4.3Å; Y72-Y142 CarbonylContact C-O 3.59Å; Y72-Y142 WeakPolarHBondContact CA-O 3.49Å; Y72-F143 HydrophobicContact CD1-CB 4.35Å; Y72-F143 HydrophobicContact CE1-CB 4.23Å; Y72-F143 HydrophobicContact CE1-CD2 4.4Å; Y72-I179 CarbonylContact O-C 3.51Å; Y72-I179 WeakPolarHBondContact O-CA 3.25Å; Y72-S180 PolarHBondContact N-O 2.74Å; Y72-S180 PolarHBondContact O-N 3.13Å; Y72-L181 WeakPolarHBondContact CD2-O 2.95Å; Y72-Y182 HydrophobicContact CE1-CD2 4.5Å; Y72-Y182 AromaticContact CE2-CD2 3.93Å; Y72-Y182 HydrophobicContact CE2-CD2 3.93Å; Y72-Y182 AromaticContact CZ-CD2 3.73Å; Y72-Y182 WeakPolarHBondContact OH-CD2 3.03Å; Y72-Y182 WeakPolarHBondContact OH-CE2 3.2Å |
| 73 | L | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137 | 173.1 | -176.3 | 70 | 0 | 0 | 0 | 110.3 | F83 L95 L136 R141 Y142 F144 W162 I174 H178 I179 | L73-F83 HydrophobicContact CD2-CE1 3.6Å; L73-F83 HydrophobicContact CD2-CZ 3.57Å; L73-L95 HydrophobicContact CB-CD1 4.44Å; L73-L95 HydrophobicContact CD2-CD1 3.96Å; L73-L136 HydrophobicContact CD2-CD1 4.42Å; L73-R141 VanDerWaalsContact O-CA 3.28Å; L73-R141 WeakPolarHBondContact O-CA 3.42Å; L73-Y142 PolarHBondContact N-O 3.01Å; L73-Y142 PolarHBondContact O-N 2.7Å; L73-F144 HydrophobicContact CB-CD1 3.96Å; L73-W162 HydrophobicContact CD1-CE3 4.42Å; L73-W162 HydrophobicContact CD1-CH2 4.13Å; L73-W162 HydrophobicContact CD1-CZ3 3.78Å; L73-W162 HydrophobicContact CD2-CE3 4.32Å; L73-W162 HydrophobicContact CD2-CZ3 3.95Å; L73-W162 HydrophobicContact CG-CZ3 3.99Å; L73-I174 HydrophobicContact CD1-CD1 3.99Å; L73-I174 HydrophobicContact CD1-CG2 3.66Å; L73-H178 CarbonylContact C-O 3.6Å; L73-I179 HydrophobicContact CD1-CG2 4.5Å |
| 74 | H | 95.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 19.2 Ų | 19.2 | 17% | 0.167 | 10% | 0.096 | C | C | . | . | trans | -124.6 | 100 | -177.9 | -58.7 | -106.8 | 0 | 0 | 0 | 109.6 | Y72 H178 S180 | Y72-H74 PolarHBondContact O-CD2 3.39Å; Y72-H74 VanDerWaalsContact O-CD2 3.3Å; H74-H178 PolarHBondContact N-O 2.71Å; H74-S180 WeakPolarHBondContact NE2-CB 3.24Å; H74-S180 PolarHBondContact NE2-OG 2.72Å | ||
| 75 | P | 94.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 5% | 0.052 | 9% | 0.088 | C | C | . | . | trans | -59 | 146.3 | 177 | -20.7 | 32.2 | 0 | 0 | 0 | 111.9 | F81 L136 A138 K140 Y142 | P75-F81 HydrophobicContact CB-CE2 4.16Å; P75-F81 HydrophobicContact CB-CZ 4.17Å; P75-L136 HydrophobicContact CB-CB 4.28Å; P75-L136 HydrophobicContact CG-CB 3.68Å; P75-L136 HydrophobicContact CG-CD1 4.12Å; P75-L136 HydrophobicContact CG-CG 4.49Å; P75-A138 WeakPolarHBondContact O-CA 3.49Å; P75-A138 WeakPolarHBondContact O-CB 3.34Å; P75-K140 WeakPolarHBondContact CD-O 3.5Å; P75-Y142 HydrophobicContact CG-CD2 4.21Å; P75-Y142 HydrophobicContact CG-CE2 4.01Å | ||
| 76 | Y | 92 | Very high | 96 | Very high | 105 Ų | 105 | 17.7 Ų | 17.7 | 41% | 0.412 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -85.3 | -14.9 | 177.7 | 63.4 | -98.3 | 0 | 0 | 0 | 114.2 | F81 W162 L164 H178 | Y76-F81 HydrophobicContact CD1-CE1 4.19Å; Y76-F81 HydrophobicContact CD1-CZ 4.45Å; Y76-F81 AromaticContact CE1-CE1 3.68Å; Y76-F81 HydrophobicContact CE1-CE1 3.68Å; Y76-F81 HydrophobicContact CE1-CZ 4.2Å; Y76-W162 HydrophobicContact CD1-CH2 4.28Å; Y76-W162 AromaticContact CD1-CZ2 3.73Å; Y76-W162 HydrophobicContact CD1-CZ2 3.73Å; Y76-W162 HydrophobicContact CE1-CZ2 4.1Å; Y76-L164 HydrophobicContact CE2-CD2 4.25Å; Y76-L164 WeakPolarHBondContact OH-CB 3.48Å; Y76-H178 AromaticContact CD1-CE1 3.89Å |
| 77 | T | 93.5 | Very high | 96 | Very high | 52 Ų | 52 | 17.7 Ų | 17.7 | 32% | 0.319 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -149.8 | 162.1 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | F81 L164 | T77-F81 HydrophobicContact CG2-CZ 4.08Å; T77-L164 HydrophobicContact CG2-CD2 3.48Å; T77-L164 VanDerWaalsContact CG2-CD2 3.48Å |
| 78 | D | 94.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 18 Ų | 18 | 41% | 0.412 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -68 | 133.2 | 160.4 | -58.3 | -29 | 0 | 0 | 0 | 108.6 | L136 S137 A138 | D78-L136 WeakPolarHBondContact CA-O 3.4Å; D78-S137 WeakPolarHBondContact OD1-CA 3.42Å; D78-S137 WeakPolarHBondContact OD1-CB 3.4Å; D78-S137 PolarHBondContact OD1-OG 3.16Å; D78-A138 PolarHBondContact OD1-N 3.45Å |
| 79 | G | 94.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | 173.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R135 L136 | G79-R135 WeakPolarHBondContact O-CA 3.31Å; G79-L136 PolarHBondContact N-O 3.31Å; G79-L136 VanDerWaalsContact N-O 3.09Å; G79-L136 PolarHBondContact O-N 2.88Å |
| 80 | D | 95.5 | Very high | 95.4 | Very high | 44 Ų | 44 | 18.1 Ų | 18.1 | 24% | 0.235 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 108.4 | 172 | -75 | -74.6 | 0 | 0 | 0 | 109.9 | P133 R135 L165 | D80-P133 HydrophobicContact CB-CB 4.29Å; D80-R135 VanDerWaalsContact OD1-CA 3.32Å; D80-R135 WeakPolarHBondContact OD1-CA 3.29Å; D80-R135 VanDerWaalsContact OD1-CB 3.29Å; D80-R135 WeakPolarHBondContact OD1-CB 3.39Å; D80-R135 VanDerWaalsContact OD1-CD 3.26Å; D80-R135 WeakPolarHBondContact OD1-CD 3Å; D80-R135 PolarHBondContact OD1-N 2.82Å; D80-R135 WeakPolarHBondContact OD2-CD 3.18Å; D80-R135 IonicContact OD2-CZ 3.82Å; D80-R135 IonicContact OD2-NE 3.86Å; D80-R135 IonicContact OD2-NH1 3.12Å; D80-R135 PolarHBondContact OD2-NH1 3.18Å; D80-L165 WeakPolarHBondContact O-CB 3.4Å; D80-L165 PolarHBondContact O-N 2.91Å; D80-L165 VanDerWaalsContact O-N 3.11Å |
| 81 | F | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.6 | -175.3 | -71.3 | -100.2 | 0 | 0 | 0 | 110.6 | P75 Y76 T77 F83 V134 L136 W162 Q163 L164 | P75-F81 HydrophobicContact CB-CE2 4.16Å; P75-F81 HydrophobicContact CB-CZ 4.17Å; Y76-F81 HydrophobicContact CD1-CE1 4.19Å; Y76-F81 HydrophobicContact CD1-CZ 4.45Å; Y76-F81 AromaticContact CE1-CE1 3.68Å; Y76-F81 HydrophobicContact CE1-CE1 3.68Å; Y76-F81 HydrophobicContact CE1-CZ 4.2Å; T77-F81 HydrophobicContact CG2-CZ 4.08Å; F81-F83 HydrophobicContact CB-CD2 4.5Å; F81-F83 HydrophobicContact CB-CE2 3.88Å; F81-F83 HydrophobicContact CB-CZ 4.32Å; F81-V134 PolarHBondContact N-O 3.41Å; F81-V134 PolarHBondContact O-N 3.11Å; F81-L136 HydrophobicContact CB-CD1 4.22Å; F81-L136 HydrophobicContact CD2-CB 3.95Å; F81-L136 HydrophobicContact CD2-CD1 4.06Å; F81-L136 HydrophobicContact CD2-CG 4.25Å; F81-L136 HydrophobicContact CE2-CB 4.27Å; F81-L136 HydrophobicContact CG-CD1 4.23Å; F81-W162 HydrophobicContact CD1-CB 4.47Å; F81-W162 AromaticContact CD1-CD2 3.95Å; F81-W162 HydrophobicContact CD1-CD2 3.95Å; F81-W162 AromaticContact CD1-CE3 3.68Å; F81-W162 HydrophobicContact CD1-CE3 3.68Å; F81-W162 HydrophobicContact CD1-CG 4.31Å; F81-W162 HydrophobicContact CD1-CZ3 4.27Å; F81-W162 HydrophobicContact CE1-CD2 4.15Å; F81-W162 AromaticContact CE1-CE3 3.96Å; F81-W162 HydrophobicContact CE1-CE3 3.96Å; F81-W162 HydrophobicContact CE1-CZ3 4.18Å; F81-W162 HydrophobicContact CG-CE3 4.47Å; F81-Q163 WeakPolarHBondContact CA-O 3.38Å; F81-L164 HydrophobicContact CE1-CB 4.42Å; F81-L164 HydrophobicContact CE2-CD1 4.31Å; F81-L164 HydrophobicContact CZ-CD1 4.43Å |
| 82 | V | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 19 Ų | 19 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.7 | 165.1 | 173.2 | 0 | 0 | 0 | 0 | 107.4 | P133 W162 Q163 L165 F171 | V82-P133 HydrophobicContact CG2-CB 4.27Å; V82-P133 HydrophobicContact CG2-CG 3.96Å; V82-W162 CarbonylContact O-C 3.53Å; V82-W162 VanDerWaalsContact O-CA 3.29Å; V82-W162 WeakPolarHBondContact O-CA 3.23Å; V82-Q163 HydrophobicContact CB-CG 3.95Å; V82-Q163 HydrophobicContact CG1-CG 4.48Å; V82-Q163 PolarHBondContact N-O 2.76Å; V82-Q163 PolarHBondContact O-N 2.91Å; V82-L165 HydrophobicContact CG2-CD1 4.49Å; V82-F171 HydrophobicContact CG1-CE1 3.98Å; V82-F171 HydrophobicContact CG1-CZ 3.94Å |
| 83 | F | 97.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.018 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 151.9 | 175.6 | -70.1 | -93.3 | 0 | 0 | 0 | 110.5 | L73 F81 L93 L95 L107 T130 S131 V134 L136 A161 W162 I174 | L73-F83 HydrophobicContact CD2-CE1 3.6Å; L73-F83 HydrophobicContact CD2-CZ 3.57Å; F81-F83 HydrophobicContact CB-CD2 4.5Å; F81-F83 HydrophobicContact CB-CE2 3.88Å; F81-F83 HydrophobicContact CB-CZ 4.32Å; F83-L93 HydrophobicContact CB-CD2 3.7Å; F83-L93 HydrophobicContact CD1-CD2 4.16Å; F83-L93 HydrophobicContact CG-CD2 4.19Å; F83-L95 HydrophobicContact CE2-CD2 3.87Å; F83-L95 HydrophobicContact CZ-CD2 3.9Å; F83-L107 HydrophobicContact CB-CD1 4.49Å; F83-L107 HydrophobicContact CD2-CD1 3.74Å; F83-L107 HydrophobicContact CE2-CD1 4.23Å; F83-L107 HydrophobicContact CG-CD1 4.15Å; F83-T130 CarbonylContact O-C 3.58Å; F83-T130 WeakPolarHBondContact O-CA 3.49Å; F83-S131 PolarHBondContact N-OG 3.38Å; F83-S131 PolarHBondContact O-N 3.46Å; F83-V134 HydrophobicContact CD2-CG2 4.35Å; F83-V134 HydrophobicContact CE2-CB 4.34Å; F83-V134 HydrophobicContact CE2-CG2 4.46Å; F83-L136 HydrophobicContact CE2-CD1 3.86Å; F83-L136 HydrophobicContact CZ-CD1 3.67Å; F83-A161 CarbonylContact C-O 3.52Å; F83-A161 WeakPolarHBondContact CA-O 3.45Å; F83-W162 HydrophobicContact CD1-CB 4.13Å; F83-W162 HydrophobicContact CE1-CB 4.22Å; F83-W162 AromaticContact CE1-CE3 3.84Å; F83-W162 HydrophobicContact CE1-CE3 3.84Å; F83-W162 AromaticContact CZ-CE3 3.99Å; F83-W162 HydrophobicContact CZ-CE3 3.99Å; F83-I174 HydrophobicContact CD1-CD1 4.09Å; F83-I174 HydrophobicContact CE1-CD1 3.83Å |
| 84 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F123 Q129 T130 V160 A161 F171 | A84-F123 HydrophobicContact CB-CB 3.85Å; A84-F123 HydrophobicContact CB-CD1 3.5Å; A84-F123 VanDerWaalsContact CB-CD1 3.5Å; A84-F123 HydrophobicContact CB-CE1 4.24Å; A84-F123 HydrophobicContact CB-CG 3.76Å; A84-Q129 CarbonylContact C-O 3.3Å; A84-Q129 WeakPolarHBondContact CA-O 3.38Å; A84-T130 HydrophobicContact CB-CG2 4.14Å; A84-V160 WeakPolarHBondContact O-CA 3.28Å; A84-A161 PolarHBondContact N-O 3.25Å; A84-A161 PolarHBondContact O-N 3Å; A84-F171 HydrophobicContact CB-CD1 3.59Å; A84-F171 HydrophobicContact CB-CD2 4.34Å; A84-F171 HydrophobicContact CB-CE1 3.42Å; A84-F171 VanDerWaalsContact CB-CE1 3.42Å; A84-F171 HydrophobicContact CB-CE2 4.19Å; A84-F171 HydrophobicContact CB-CG 4.07Å; A84-F171 HydrophobicContact CB-CZ 3.74Å |
| 85 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.1 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | S91 L93 A108 V110 Q129 V158 E159 V160 | V85-S91 WeakPolarHBondContact CG2-OG 3.49Å; V85-L93 HydrophobicContact CB-CB 4.46Å; V85-A108 HydrophobicContact CG1-CB 3.89Å; V85-V110 HydrophobicContact CG1-CG2 4.34Å; V85-Q129 PolarHBondContact N-O 3.04Å; V85-Q129 PolarHBondContact O-NE2 2.92Å; V85-V158 HydrophobicContact CG2-CG2 4.47Å; V85-E159 WeakPolarHBondContact CA-O 3.43Å; V85-V160 HydrophobicContact CG2-CG2 4.26Å |
| 86 | S | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.7 | 166.8 | 167.5 | 0 | 0 | 0 | 0 | 108.4 | T118 A119 H157 V158 E159 | S86-T118 PolarHBondContact OG-OG1 3.42Å; S86-A119 PolarHBondContact OG-O 2.98Å; S86-H157 PolarHBondContact OG-NE2 2.96Å; S86-V158 CarbonylContact O-C 3.49Å; S86-V158 WeakPolarHBondContact O-CA 3.43Å; S86-E159 PolarHBondContact N-O 2.85Å; S86-E159 PolarHBondContact O-N 2.93Å |
| 87 | S | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.6 | 171 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | D89 S91 V110 T118 H157 | S87-D89 PolarHBondContact OG-O 2.82Å; S87-S91 VanDerWaalsContact CB-OG 3.28Å; S87-S91 WeakPolarHBondContact CB-OG 3.5Å; S87-S91 VanDerWaalsContact OG-CB 3.22Å; S87-S91 WeakPolarHBondContact OG-CB 3.4Å; S87-S91 PolarHBondContact OG-OG 2.84Å; S87-V110 WeakPolarHBondContact OG-CB 3.45Å; S87-T118 CarbonylContact C-O 3.51Å; S87-T118 PolarHBondContact N-OG1 2.79Å; S87-T118 PolarHBondContact O-N 2.95Å; S87-T118 PolarHBondContact O-OG1 2.85Å; S87-H157 CarbonylContact C-O 3.59Å; S87-H157 WeakPolarHBondContact CA-O 3.4Å; S87-H157 VanDerWaalsContact CB-O 3.24Å; S87-H157 WeakPolarHBondContact CB-O 3.26Å |
| 88 | D | 88.6 | Confident | 95.9 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -69.4 | 149.2 | 149.9 | -164.7 | 10.6 | 0 | 0 | 0 | 108.5 | H148 Q150 G154 T155 D156 H157 | D88-H148 PolarHBondContact O-CE1 3.42Å; D88-H148 PolarHBondContact O-ND1 2.74Å; D88-Q150 PolarHBondContact OD2-NE2 2.77Å; D88-G154 VanDerWaalsContact OD2-CA 3.24Å; D88-G154 WeakPolarHBondContact OD2-CA 3.42Å; D88-T155 PolarHBondContact OD2-N 3.37Å; D88-D156 PolarHBondContact OD2-N 2.7Å; D88-H157 PolarHBondContact N-CE1 3Å; D88-H157 VanDerWaalsContact N-CE1 3.26Å; D88-H157 PolarHBondContact N-NE2 2.9Å; D88-H157 PolarHBondContact N-O 3.44Å |
| 89 | D | 92.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 44.4 | -156.8 | -165.7 | -84 | -51.3 | 0 | 0 | 0 | 113.7 | S87 V110 E116 K149 Q150 N151 | S87-D89 PolarHBondContact OG-O 2.82Å; D89-V110 WeakPolarHBondContact O-CG1 3.11Å; D89-E116 CarbonylContact C-O 3.52Å; D89-E116 VanDerWaalsContact O-O 3.13Å; D89-K149 WeakPolarHBondContact CB-O 3.33Å; D89-Q150 WeakPolarHBondContact OD2-CA 3.38Å; D89-N151 PolarHBondContact OD1-ND2 2.99Å; D89-N151 WeakPolarHBondContact OD2-CB 3.48Å; D89-N151 PolarHBondContact OD2-N 2.88Å; D89-N151 PolarHBondContact OD2-ND2 2.78Å |
| 90 | N | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -83.6 | 145 | -177.7 | -73.7 | -166.1 | 0 | 0 | 0 | 113.3 | T34 V110 K112 G114 E116 H148 K149 | T34-N90 HydrophobicContact CG2-CB 4.36Å; N90-V110 WeakPolarHBondContact CA-O 3.48Å; N90-V110 WeakPolarHBondContact CB-O 3.09Å; N90-K112 WeakPolarHBondContact OD1-CA 3.42Å; N90-K112 PolarHBondContact OD1-N 3.41Å; N90-G114 WeakPolarHBondContact OD1-CA 3.3Å; N90-G114 PolarHBondContact OD1-N 2.99Å; N90-E116 PolarHBondContact ND2-O 2.81Å; N90-E116 PolarHBondContact ND2-OE2 2.88Å; N90-H148 PolarHBondContact O-ND1 2.95Å; N90-K149 PolarHBondContact O-N 3.33Å; N90-K149 VanDerWaalsContact O-N 3.13Å | ||
| 91 | S | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158.5 | 172.9 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | V85 S87 W109 V110 I147 | V85-S91 WeakPolarHBondContact CG2-OG 3.49Å; S87-S91 VanDerWaalsContact CB-OG 3.28Å; S87-S91 WeakPolarHBondContact CB-OG 3.5Å; S87-S91 VanDerWaalsContact OG-CB 3.22Å; S87-S91 WeakPolarHBondContact OG-CB 3.4Å; S87-S91 PolarHBondContact OG-OG 2.84Å; S91-W109 CarbonylContact O-C 3.51Å; S91-W109 WeakPolarHBondContact O-CA 3.35Å; S91-W109 VanDerWaalsContact O-CB 3.22Å; S91-W109 WeakPolarHBondContact O-CB 3.44Å; S91-V110 PolarHBondContact N-O 3.48Å; S91-V110 PolarHBondContact O-N 3.35Å; S91-I147 CarbonylContact C-O 3.55Å; S91-I147 WeakPolarHBondContact CA-O 3.26Å; S91-I147 WeakPolarHBondContact CB-O 3.32Å |
| 92 | E | 97.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 9% | 0.089 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.2 | 178.9 | -69 | 173.1 | -140.8 | 0 | 0 | 111 | T34 R38 W94 L106 W109 V146 I147 | T34-E92 WeakPolarHBondContact CB-OE1 3.49Å; T34-E92 HydrophobicContact CG2-CG 4.13Å; T34-E92 PolarHBondContact OG1-OE1 2.84Å; R38-E92 IonicContact CZ-OE1 2.9Å; R38-E92 IonicContact CZ-OE2 2.82Å; R38-E92 IonicContact NH1-OE1 2.74Å; R38-E92 PolarHBondContact NH1-OE1 3.28Å; R38-E92 IonicContact NH1-OE2 3.77Å; R38-E92 VanDerWaalsContact NH2-CD 3.33Å; R38-E92 IonicContact NH2-OE1 3.73Å; R38-E92 PolarHBondContact NH2-OE1 3.07Å; R38-E92 IonicContact NH2-OE2 2.69Å; R38-E92 PolarHBondContact NH2-OE2 3.35Å; E92-W94 WeakPolarHBondContact OE2-CZ2 3.46Å; E92-W94 PolarHBondContact OE2-NE1 2.03Å; E92-L106 HydrophobicContact CB-CD1 3.81Å; E92-L106 HydrophobicContact CG-CD1 4.03Å; E92-W109 HydrophobicContact CG-CB 4.05Å; E92-V146 WeakPolarHBondContact O-CA 3.34Å; E92-I147 PolarHBondContact N-O 3.4Å; E92-I147 PolarHBondContact O-N 3.06Å |
| 93 | L | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.6 | 172.2 | 172.2 | 63.6 | 0 | 0 | 0 | 110.4 | F83 V85 L107 A108 V146 V160 | F83-L93 HydrophobicContact CB-CD2 3.7Å; F83-L93 HydrophobicContact CD1-CD2 4.16Å; F83-L93 HydrophobicContact CG-CD2 4.19Å; V85-L93 HydrophobicContact CB-CB 4.46Å; L93-L107 PolarHBondContact O-N 3.48Å; L93-A108 HydrophobicContact CB-CB 4.49Å; L93-A108 PolarHBondContact N-O 2.54Å; L93-A108 PolarHBondContact O-N 3.03Å; L93-V146 HydrophobicContact CD1-CG2 4.04Å; L93-V160 HydrophobicContact CD1-CG1 3.97Å; L93-V160 HydrophobicContact CD1-CG2 4.13Å; L93-V160 HydrophobicContact CD2-CG1 3.7Å; L93-V160 HydrophobicContact CG-CG1 4.45Å |
| 94 | W | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.5 | 175.9 | -63.4 | 72.9 | 0 | 0 | 0 | 110.7 | E92 V104 Q105 L106 F144 E145 A200 A201 | E92-W94 WeakPolarHBondContact OE2-CZ2 3.46Å; E92-W94 PolarHBondContact OE2-NE1 2.03Å; W94-V104 HydrophobicContact CB-CB 4.43Å; W94-V104 HydrophobicContact CE3-CB 4.25Å; W94-V104 HydrophobicContact CE3-CG2 4.17Å; W94-Q105 WeakPolarHBondContact CA-O 3.47Å; W94-Q105 VanDerWaalsContact CE3-C 3.48Å; W94-L106 HydrophobicContact CD2-CB 4.01Å; W94-L106 HydrophobicContact CD2-CD1 4.3Å; W94-L106 HydrophobicContact CE3-CB 4.11Å; W94-L106 HydrophobicContact CG-CD1 4.42Å; W94-L106 HydrophobicContact CH2-CB 4.06Å; W94-L106 HydrophobicContact CZ2-CB 3.95Å; W94-L106 HydrophobicContact CZ2-CD1 4.2Å; W94-L106 HydrophobicContact CZ2-CG 4.49Å; W94-L106 HydrophobicContact CZ3-CB 4.13Å; W94-F144 WeakPolarHBondContact O-CA 3.47Å; W94-E145 HydrophobicContact CB-CB 4.34Å; W94-E145 WeakPolarHBondContact CB-O 3.49Å; W94-E145 PolarHBondContact N-O 2.83Å; W94-E145 PolarHBondContact O-N 2.88Å; W94-A200 HydrophobicContact CZ3-CB 4.2Å; W94-A201 HydrophobicContact CB-CB 4.11Å; W94-A201 HydrophobicContact CD2-CB 3.41Å; W94-A201 VanDerWaalsContact CD2-CB 3.41Å; W94-A201 HydrophobicContact CE3-CB 3.94Å; W94-A201 HydrophobicContact CG-CB 3.46Å; W94-A201 VanDerWaalsContact CG-CB 3.46Å; W94-A201 HydrophobicContact CZ2-CB 4.28Å |
| 95 | L | 98.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.3 | 174.6 | -169.7 | 67.9 | 0 | 0 | 0 | 109.9 | L73 F83 Q105 L107 V134 L136 F144 | L73-L95 HydrophobicContact CB-CD1 4.44Å; L73-L95 HydrophobicContact CD2-CD1 3.96Å; F83-L95 HydrophobicContact CE2-CD2 3.87Å; F83-L95 HydrophobicContact CZ-CD2 3.9Å; L95-Q105 PolarHBondContact N-O 3.47Å; L95-Q105 PolarHBondContact O-N 2.86Å; L95-L107 HydrophobicContact CB-CD1 3.46Å; L95-L107 VanDerWaalsContact CB-CD1 3.46Å; L95-L107 HydrophobicContact CB-CG 3.85Å; L95-L107 HydrophobicContact CD2-CD1 3.74Å; L95-L107 HydrophobicContact CG-CD1 4.24Å; L95-V134 HydrophobicContact CD2-CG1 4.43Å; L95-L136 HydrophobicContact CD2-CD1 4.39Å; L95-L136 HydrophobicContact CD2-CD2 4.27Å; L95-F144 HydrophobicContact CD1-CB 3.74Å |
| 96 | S | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 150.5 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | D98 S100 N103 Y142 F143 | S96-D98 VanDerWaalsContact CB-O 3.26Å; S96-D98 WeakPolarHBondContact CB-O 3.49Å; S96-D98 PolarHBondContact O-N 3.15Å; S96-D98 PolarHBondContact OG-N 3.34Å; S96-D98 PolarHBondContact OG-O 3.47Å; S96-D98 VanDerWaalsContact OG-O 3.09Å; S96-D98 PolarHBondContact OG-OD1 3.35Å; S96-S100 WeakPolarHBondContact CB-O 3.45Å; S96-S100 PolarHBondContact OG-O 3.31Å; S96-N103 WeakPolarHBondContact CA-O 3.25Å; S96-N103 WeakPolarHBondContact OG-CB 3.17Å; S96-Y142 WeakPolarHBondContact O-CD1 3.39Å; S96-F143 VanDerWaalsContact CB-O 3.24Å; S96-F143 WeakPolarHBondContact CB-O 3.48Å; S96-F143 PolarHBondContact N-O 2.82Å |
| 97 | T | 95.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 51% | 0.509 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -70.9 | -13.5 | 172.2 | 57.4 | 0 | 0 | 0 | 0 | 113 | N103 Y142 | T97-N103 PolarHBondContact N-O 2.74Å; T97-Y142 WeakPolarHBondContact O-CE1 3.48Å |
| 98 | D | 94.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -150.5 | -160.3 | 176.9 | 68.6 | 2.6 | 0 | 0 | 0 | 112.1 | S96 S100 N103 Y142 F143 | S96-D98 VanDerWaalsContact CB-O 3.26Å; S96-D98 WeakPolarHBondContact CB-O 3.49Å; S96-D98 PolarHBondContact O-N 3.15Å; S96-D98 PolarHBondContact OG-N 3.34Å; S96-D98 PolarHBondContact OG-O 3.47Å; S96-D98 VanDerWaalsContact OG-O 3.09Å; S96-D98 PolarHBondContact OG-OD1 3.35Å; D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CA 3.31Å; D98-S100 WeakPolarHBondContact OD1-CB 3.11Å; D98-S100 PolarHBondContact OD1-N 3.46Å; D98-N103 VanDerWaalsContact CG-ND2 3.3Å; D98-N103 PolarHBondContact OD1-ND2 3.22Å; D98-N103 PolarHBondContact OD2-ND2 3.44Å; D98-N103 VanDerWaalsContact OD2-ND2 3.16Å; D98-Y142 WeakPolarHBondContact O-CA 3.15Å; D98-F143 PolarHBondContact O-N 2.88Å |
| 99 | Q | 93.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 39.9 Ų | 39.9 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -79.6 | 3.1 | 176.8 | 68 | 173.1 | -8 | 0 | 0 | 114.2 | Y72 R141 | Y72-Q99 HydrophobicContact CD1-CB 4.5Å; Y72-Q99 HydrophobicContact CE1-CB 4.02Å; Y72-Q99 WeakPolarHBondContact CE1-O 3.17Å; Q99-R141 HydrophobicContact CB-CG 4.06Å |
| 100 | S | 95.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 22% | 0.217 | 20% | 0.203 | C | C | . | . | trans | -87.2 | 131.8 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | S96 D98 L102 N103 | S96-S100 WeakPolarHBondContact CB-O 3.45Å; S96-S100 PolarHBondContact OG-O 3.31Å; D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CA 3.31Å; D98-S100 WeakPolarHBondContact OD1-CB 3.11Å; D98-S100 PolarHBondContact OD1-N 3.46Å; S100-L102 PolarHBondContact O-N 2.99Å; S100-L102 PolarHBondContact OG-N 2.87Å; S100-N103 PolarHBondContact O-N 3.31Å | ||
| 101 | P | 94.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 40 Ų | 40 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -68.5 | -11.7 | 171.9 | 30.3 | -35.7 | 0 | 0 | 0 | 113.1 | F143 Y182 P197 T199 | P101-F143 HydrophobicContact CB-CD1 3.91Å; P101-F143 HydrophobicContact CB-CD2 4.02Å; P101-F143 HydrophobicContact CB-CE1 3.88Å; P101-F143 HydrophobicContact CB-CE2 3.98Å; P101-F143 HydrophobicContact CB-CG 3.97Å; P101-F143 HydrophobicContact CB-CZ 3.91Å; P101-Y182 HydrophobicContact CG-CE2 4.27Å; P101-P197 HydrophobicContact CB-CB 3.89Å; P101-P197 HydrophobicContact CG-CB 4.25Å; P101-T199 HydrophobicContact CB-CG2 4Å |
| 102 | L | 94.1 | Very high | 95.2 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 69% | 0.686 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -79.6 | -20 | 179.5 | -56.9 | 178.6 | 0 | 0 | 0 | 113.5 | S100 | S100-L102 PolarHBondContact O-N 2.99Å; S100-L102 PolarHBondContact OG-N 2.87Å |
| 103 | N | 95.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -98 | 17.7 | -173.8 | -65.1 | -35.7 | 0 | 0 | 0 | 113.4 | S96 T97 D98 S100 | S96-N103 WeakPolarHBondContact CA-O 3.25Å; S96-N103 WeakPolarHBondContact OG-CB 3.17Å; T97-N103 PolarHBondContact N-O 2.74Å; D98-N103 VanDerWaalsContact CG-ND2 3.3Å; D98-N103 PolarHBondContact OD1-ND2 3.22Å; D98-N103 PolarHBondContact OD2-ND2 3.44Å; D98-N103 VanDerWaalsContact OD2-ND2 3.16Å; S100-N103 PolarHBondContact O-N 3.31Å |
| 104 | V | 95.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.6 | -179 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | W94 F143 A200 | W94-V104 HydrophobicContact CB-CB 4.43Å; W94-V104 HydrophobicContact CE3-CB 4.25Å; W94-V104 HydrophobicContact CE3-CG2 4.17Å; V104-F143 HydrophobicContact CG1-CD1 3.56Å; V104-F143 HydrophobicContact CG1-CE1 3.89Å; V104-A200 HydrophobicContact CG2-CB 4.12Å |
| 105 | Q | 96.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.8 | 174 | -59.7 | -179.4 | 21.1 | 0 | 0 | 109.4 | W94 L95 L107 | W94-Q105 WeakPolarHBondContact CA-O 3.47Å; W94-Q105 VanDerWaalsContact CE3-C 3.48Å; L95-Q105 PolarHBondContact N-O 3.47Å; L95-Q105 PolarHBondContact O-N 2.86Å; Q105-L107 PolarHBondContact O-N 2.9Å |
| 106 | L | 96.8 | Very high | 93 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 122.3 | 171.2 | -178.6 | 67.5 | 0 | 0 | 0 | 109 | E92 W94 W109 | E92-L106 HydrophobicContact CB-CD1 3.81Å; E92-L106 HydrophobicContact CG-CD1 4.03Å; W94-L106 HydrophobicContact CD2-CB 4.01Å; W94-L106 HydrophobicContact CD2-CD1 4.3Å; W94-L106 HydrophobicContact CE3-CB 4.11Å; W94-L106 HydrophobicContact CG-CD1 4.42Å; W94-L106 HydrophobicContact CH2-CB 4.06Å; W94-L106 HydrophobicContact CZ2-CB 3.95Å; W94-L106 HydrophobicContact CZ2-CD1 4.2Å; W94-L106 HydrophobicContact CZ2-CG 4.49Å; W94-L106 HydrophobicContact CZ3-CB 4.13Å; L106-W109 HydrophobicContact CD1-CB 4.44Å; L106-W109 HydrophobicContact CD1-CE3 4.26Å; L106-W109 HydrophobicContact CD2-CD2 4.12Å; L106-W109 HydrophobicContact CD2-CE3 3.55Å; L106-W109 HydrophobicContact CD2-CZ3 3.94Å; L106-W109 HydrophobicContact CG-CE3 3.76Å; L106-W109 HydrophobicContact CG-CZ3 4.23Å |
| 107 | L | 96.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -41.6 | 179.2 | -71.7 | -164.4 | 0 | 0 | 0 | 113.1 | F83 L93 L95 Q105 S131 V134 | F83-L107 HydrophobicContact CB-CD1 4.49Å; F83-L107 HydrophobicContact CD2-CD1 3.74Å; F83-L107 HydrophobicContact CE2-CD1 4.23Å; F83-L107 HydrophobicContact CG-CD1 4.15Å; L93-L107 PolarHBondContact O-N 3.48Å; L95-L107 HydrophobicContact CB-CD1 3.46Å; L95-L107 VanDerWaalsContact CB-CD1 3.46Å; L95-L107 HydrophobicContact CB-CG 3.85Å; L95-L107 HydrophobicContact CD2-CD1 3.74Å; L95-L107 HydrophobicContact CG-CD1 4.24Å; Q105-L107 PolarHBondContact O-N 2.9Å; L107-S131 WeakPolarHBondContact O-CA 3.43Å; L107-S131 WeakPolarHBondContact O-CB 3.06Å; L107-V134 HydrophobicContact CD1-CG2 4Å; L107-V134 HydrophobicContact CD2-CG2 4.05Å |
| 108 | A | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 155.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V85 L93 S128 Q129 | V85-A108 HydrophobicContact CG1-CB 3.89Å; L93-A108 HydrophobicContact CB-CB 4.49Å; L93-A108 PolarHBondContact N-O 2.54Å; L93-A108 PolarHBondContact O-N 3.03Å; A108-S128 CarbonylContact C-O 3.56Å; A108-S128 VanDerWaalsContact CA-O 3.22Å; A108-S128 WeakPolarHBondContact CA-O 3.45Å; A108-S128 WeakPolarHBondContact CB-O 3.49Å; A108-Q129 WeakPolarHBondContact CB-O 3.39Å |
| 109 | W | 97.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 57.9 Ų | 57.9 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 148.3 | -179.9 | 63.6 | 91.3 | 0 | 0 | 0 | 113 | S91 E92 L106 S128 | S91-W109 CarbonylContact O-C 3.51Å; S91-W109 WeakPolarHBondContact O-CA 3.35Å; S91-W109 VanDerWaalsContact O-CB 3.22Å; S91-W109 WeakPolarHBondContact O-CB 3.44Å; E92-W109 HydrophobicContact CG-CB 4.05Å; L106-W109 HydrophobicContact CD1-CB 4.44Å; L106-W109 HydrophobicContact CD1-CE3 4.26Å; L106-W109 HydrophobicContact CD2-CD2 4.12Å; L106-W109 HydrophobicContact CD2-CE3 3.55Å; L106-W109 HydrophobicContact CD2-CZ3 3.94Å; L106-W109 HydrophobicContact CG-CE3 3.76Å; L106-W109 HydrophobicContact CG-CZ3 4.23Å; W109-S128 PolarHBondContact N-O 3.31Å; W109-S128 VanDerWaalsContact NE1-CB 3.31Å; W109-S128 CarbonylContact O-C 3.55Å; W109-S128 VanDerWaalsContact O-C 3.3Å; W109-S128 VanDerWaalsContact O-CB 3.26Å; W109-S128 WeakPolarHBondContact O-CB 3.43Å; W109-S128 PolarHBondContact O-OG 3.38Å |
| 110 | V | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.5 | 162.3 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | V85 S87 D89 N90 S91 T118 Y126 Q129 | V85-V110 HydrophobicContact CG1-CG2 4.34Å; S87-V110 WeakPolarHBondContact OG-CB 3.45Å; D89-V110 WeakPolarHBondContact O-CG1 3.11Å; N90-V110 WeakPolarHBondContact CA-O 3.48Å; N90-V110 WeakPolarHBondContact CB-O 3.09Å; S91-V110 PolarHBondContact N-O 3.48Å; S91-V110 PolarHBondContact O-N 3.35Å; V110-T118 HydrophobicContact CG1-CG2 4.29Å; V110-T118 HydrophobicContact CG2-CG2 4.46Å; V110-Y126 HydrophobicContact CG1-CE2 4.49Å; V110-Q129 HydrophobicContact CG2-CG 4.05Å |
| 111 | G | 89.1 | Confident | 92.5 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | 68.7 | 175 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | E116 | G111-E116 VanDerWaalsContact CA-OE1 3.24Å; G111-E116 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 112 | K | 81.3 | Confident | 92.4 | Very high | 171 Ų | 171 | 60.1 Ų | 60.1 | 74% | 0.743 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -155.9 | -24.8 | 178.7 | -172.8 | 168.4 | -177.9 | 171.1 | 0 | 113 | N90 E116 | N90-K112 WeakPolarHBondContact OD1-CA 3.42Å; N90-K112 PolarHBondContact OD1-N 3.41Å; K112-E116 VanDerWaalsContact N-CD 3.31Å; K112-E116 PolarHBondContact N-OE1 3.07Å; K112-E116 PolarHBondContact N-OE2 3.35Å |
| 113 | T | 80.4 | Confident | 92.4 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 62% | 0.62 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -93.2 | -1.9 | 177.5 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | T115 E116 | T113-T115 PolarHBondContact OG1-OG1 2.77Å; T113-E116 PolarHBondContact N-OE1 3.14Å; T113-E116 PolarHBondContact N-OE2 3.36Å; T113-E116 PolarHBondContact OG1-OE1 1.99Å; T113-E116 PolarHBondContact OG1-OE2 2.75Å |
| 114 | G | 84.3 | Confident | 92.2 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 70.4 | 37.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T32 N90 E116 | T32-G114 WeakPolarHBondContact CB-O 3Å; T32-G114 WeakPolarHBondContact OG1-CA 3.43Å; T32-G114 PolarHBondContact OG1-O 2.68Å; N90-G114 WeakPolarHBondContact OD1-CA 3.3Å; N90-G114 PolarHBondContact OD1-N 2.99Å; G114-E116 PolarHBondContact N-OE2 2.87Å |
| 115 | T | 88.4 | Confident | 92.1 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | trans | -135.8 | -8.5 | 177.9 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | T113 | T113-T115 PolarHBondContact OG1-OG1 2.77Š| ||
| 116 | E | 93.1 | Very high | 92 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | trans | -102.4 | 132.6 | -175.1 | -38 | 92.1 | 130.7 | 0 | 0 | 109.6 | D89 N90 G111 K112 T113 G114 Y126 | D89-E116 CarbonylContact C-O 3.52Å; D89-E116 VanDerWaalsContact O-O 3.13Å; N90-E116 PolarHBondContact ND2-O 2.81Å; N90-E116 PolarHBondContact ND2-OE2 2.88Å; G111-E116 VanDerWaalsContact CA-OE1 3.24Å; G111-E116 WeakPolarHBondContact CA-OE1 3.44Å; K112-E116 VanDerWaalsContact N-CD 3.31Å; K112-E116 PolarHBondContact N-OE1 3.07Å; K112-E116 PolarHBondContact N-OE2 3.35Å; T113-E116 PolarHBondContact N-OE1 3.14Å; T113-E116 PolarHBondContact N-OE2 3.36Å; T113-E116 PolarHBondContact OG1-OE1 1.99Å; T113-E116 PolarHBondContact OG1-OE2 2.75Å; G114-E116 PolarHBondContact N-OE2 2.87Å; E116-Y126 HydrophobicContact CB-CE2 4.06Å | ||
| 117 | W | 93.9 | Very high | 91.9 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -148.9 | 161.4 | -177.5 | 67.3 | -89.2 | 0 | 0 | 0 | 109.4 | K125 | W117-K125 VanDerWaalsContact O-CE 3.26Å; W117-K125 WeakPolarHBondContact O-CE 3.43Å; W117-K125 PolarHBondContact O-NZ 3.03Å | ||
| 118 | T | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -138.8 | 144.8 | -174.9 | 43.3 | 0 | 0 | 0 | 0 | 111 | S86 S87 V110 E122 K125 Y126 Q129 H157 | S86-T118 PolarHBondContact OG-OG1 3.42Å; S87-T118 CarbonylContact C-O 3.51Å; S87-T118 PolarHBondContact N-OG1 2.79Å; S87-T118 PolarHBondContact O-N 2.95Å; S87-T118 PolarHBondContact O-OG1 2.85Å; V110-T118 HydrophobicContact CG1-CG2 4.29Å; V110-T118 HydrophobicContact CG2-CG2 4.46Å; T118-E122 VanDerWaalsContact CA-OE2 3.26Å; T118-E122 WeakPolarHBondContact CA-OE2 3.36Å; T118-K125 HydrophobicContact CG2-CB 4.19Å; T118-K125 HydrophobicContact CG2-CD 3.91Å; T118-K125 HydrophobicContact CG2-CG 4.42Å; T118-Y126 HydrophobicContact CG2-CD2 3.84Å; T118-Y126 HydrophobicContact CG2-CE2 3.81Å; T118-Q129 VanDerWaalsContact CG2-CD 3.47Å; T118-Q129 VanDerWaalsContact CG2-NE2 3.26Å; T118-H157 PolarHBondContact O-CE1 2.98Å; T118-H157 PolarHBondContact O-NE2 2.83Å | ||
| 119 | A | 92.9 | Very high | 91.8 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | trans | -71.3 | 158.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S86 G121 E122 | S86-A119 PolarHBondContact OG-O 2.98Å; A119-G121 PolarHBondContact O-N 3.24Å; A119-E122 HydrophobicContact CB-CB 4.05Å; A119-E122 PolarHBondContact N-OE2 2.68Å; A119-E122 WeakPolarHBondContact O-CB 3.17Å; A119-E122 PolarHBondContact O-N 3.21Å | ||
| 120 | P | 92.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 131.7 | 172.1 | -23.8 | 34.3 | 0 | 0 | 0 | 111.1 | E122 H157 | P120-E122 VanDerWaalsContact C-N 3.27Å; P120-E122 PolarHBondContact O-N 2.73Å; P120-H157 VanDerWaalsContact CD-CE1 3.44Å; P120-H157 WeakPolarHBondContact CD-CE1 3.46Å |
| 121 | G | 90.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -7.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A119 F123 E159 | A119-G121 PolarHBondContact O-N 3.24Å; G121-F123 VanDerWaalsContact C-N 3.33Å; G121-F123 VanDerWaalsContact O-CD2 3.31Å; G121-F123 WeakPolarHBondContact O-CD2 3.42Å; G121-F123 PolarHBondContact O-N 2.78Å; G121-E159 WeakPolarHBondContact CA-OE1 3.27Å; G121-E159 PolarHBondContact N-OE1 2.93Å |
| 122 | E | 93.7 | Very high | 92 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | trans | -81.3 | 70.7 | -177.2 | -168.6 | -179.5 | -135.9 | 0 | 0 | 111.7 | T118 A119 P120 K125 Q129 | T118-E122 VanDerWaalsContact CA-OE2 3.26Å; T118-E122 WeakPolarHBondContact CA-OE2 3.36Å; A119-E122 HydrophobicContact CB-CB 4.05Å; A119-E122 PolarHBondContact N-OE2 2.68Å; A119-E122 WeakPolarHBondContact O-CB 3.17Å; A119-E122 PolarHBondContact O-N 3.21Å; P120-E122 VanDerWaalsContact C-N 3.27Å; P120-E122 PolarHBondContact O-N 2.73Å; E122-K125 HydrophobicContact CG-CB 3.92Å; E122-K125 HydrophobicContact CG-CD 4.18Å; E122-K125 WeakPolarHBondContact OE1-CD 3.38Å; E122-K125 IonicContact OE1-NZ 2.66Å; E122-K125 WeakPolarHBondContact OE2-CD 3.23Å; E122-K125 IonicContact OE2-NZ 3.61Å; E122-K125 PolarHBondContact OE2-NZ 3.14Å; E122-Q129 PolarHBondContact O-NE2 2.97Å | ||
| 123 | F | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.3 | -175.4 | -62.6 | -61.4 | 0 | 0 | 0 | 115.8 | A84 G121 Q129 E159 A161 F171 | A84-F123 HydrophobicContact CB-CB 3.85Å; A84-F123 HydrophobicContact CB-CD1 3.5Å; A84-F123 VanDerWaalsContact CB-CD1 3.5Å; A84-F123 HydrophobicContact CB-CE1 4.24Å; A84-F123 HydrophobicContact CB-CG 3.76Å; G121-F123 VanDerWaalsContact C-N 3.33Å; G121-F123 VanDerWaalsContact O-CD2 3.31Å; G121-F123 WeakPolarHBondContact O-CD2 3.42Å; G121-F123 PolarHBondContact O-N 2.78Å; F123-Q129 WeakPolarHBondContact O-CB 3.31Å; F123-E159 HydrophobicContact CE1-CG 4.27Å; F123-E159 HydrophobicContact CZ-CG 4.23Å; F123-E159 WeakPolarHBondContact CZ-OE1 3.34Å; F123-A161 HydrophobicContact CE1-CB 3.96Å; F123-A161 HydrophobicContact CE2-CB 3.94Å; F123-A161 HydrophobicContact CZ-CB 3.54Å; F123-F171 HydrophobicContact CB-CD2 4.02Å; F123-F171 HydrophobicContact CB-CE2 4.27Å; F123-F171 HydrophobicContact CD2-CB 3.77Å; F123-F171 HydrophobicContact CD2-CD2 4.1Å; F123-F171 HydrophobicContact CD2-CG 4.09Å; F123-F171 HydrophobicContact CE2-CB 3.95Å; F123-F171 HydrophobicContact CG-CD2 4.27Å; F123-F171 HydrophobicContact CG-CG 4.39Å |
| 124 | E | 90.4 | Very high | 93.5 | Very high | 170 Ų | 170 | 62.1 Ų | 62.1 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 5.9 | -166.8 | -61.2 | -174.4 | 171.1 | 0 | 0 | 114.4 | ||
| 125 | K | 94.1 | Very high | 94 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -74.1 | -34.9 | -176.7 | 172.3 | 171.1 | 174.8 | -174.6 | 0 | 113.6 | W117 T118 E122 | W117-K125 VanDerWaalsContact O-CE 3.26Å; W117-K125 WeakPolarHBondContact O-CE 3.43Å; W117-K125 PolarHBondContact O-NZ 3.03Å; T118-K125 HydrophobicContact CG2-CB 4.19Å; T118-K125 HydrophobicContact CG2-CD 3.91Å; T118-K125 HydrophobicContact CG2-CG 4.42Å; E122-K125 HydrophobicContact CG-CB 3.92Å; E122-K125 HydrophobicContact CG-CD 4.18Å; E122-K125 WeakPolarHBondContact OE1-CD 3.38Å; E122-K125 IonicContact OE1-NZ 2.66Å; E122-K125 WeakPolarHBondContact OE2-CD 3.23Å; E122-K125 IonicContact OE2-NZ 3.61Å; E122-K125 PolarHBondContact OE2-NZ 3.14Å |
| 126 | Y | 94.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -125.1 | 134.8 | 174.4 | -51.5 | -72.1 | 0 | 0 | 0 | 110.7 | V110 E116 T118 S128 Q129 | V110-Y126 HydrophobicContact CG1-CE2 4.49Å; E116-Y126 HydrophobicContact CB-CE2 4.06Å; T118-Y126 HydrophobicContact CG2-CD2 3.84Å; T118-Y126 HydrophobicContact CG2-CE2 3.81Å; Y126-S128 PolarHBondContact O-N 3.33Å; Y126-Q129 HydrophobicContact CD2-CG 4.46Å; Y126-Q129 WeakPolarHBondContact O-CB 3.28Å; Y126-Q129 PolarHBondContact O-N 2.98Å |
| 127 | A | 94.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 63.9 Ų | 63.9 | 83% | 0.826 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 128 | S | 95.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.1 | 172.7 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | A108 W109 Y126 T130 | A108-S128 CarbonylContact C-O 3.56Å; A108-S128 VanDerWaalsContact CA-O 3.22Å; A108-S128 WeakPolarHBondContact CA-O 3.45Å; A108-S128 WeakPolarHBondContact CB-O 3.49Å; W109-S128 PolarHBondContact N-O 3.31Å; W109-S128 VanDerWaalsContact NE1-CB 3.31Å; W109-S128 CarbonylContact O-C 3.55Å; W109-S128 VanDerWaalsContact O-C 3.3Å; W109-S128 VanDerWaalsContact O-CB 3.26Å; W109-S128 WeakPolarHBondContact O-CB 3.43Å; W109-S128 PolarHBondContact O-OG 3.38Å; Y126-S128 PolarHBondContact O-N 3.33Å; S128-T130 VanDerWaalsContact C-N 3.25Å; S128-T130 PolarHBondContact O-N 3.04Å |
| 129 | Q | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -71.9 | -18.8 | -176.7 | -72.2 | -178.3 | -95.6 | 0 | 0 | 113.5 | A84 V85 A108 V110 T118 E122 F123 Y126 | A84-Q129 CarbonylContact C-O 3.3Å; A84-Q129 WeakPolarHBondContact CA-O 3.38Å; V85-Q129 PolarHBondContact N-O 3.04Å; V85-Q129 PolarHBondContact O-NE2 2.92Å; A108-Q129 WeakPolarHBondContact CB-O 3.39Å; V110-Q129 HydrophobicContact CG2-CG 4.05Å; T118-Q129 VanDerWaalsContact CG2-CD 3.47Å; T118-Q129 VanDerWaalsContact CG2-NE2 3.26Å; E122-Q129 PolarHBondContact O-NE2 2.97Å; F123-Q129 WeakPolarHBondContact O-CB 3.31Å; Y126-Q129 HydrophobicContact CD2-CG 4.46Å; Y126-Q129 WeakPolarHBondContact O-CB 3.28Å; Y126-Q129 PolarHBondContact O-N 2.98Å |
| 130 | T | 96.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 73.1 Ų | 73.1 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -114.2 | 138.4 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | F83 A84 S128 F171 | F83-T130 CarbonylContact O-C 3.58Å; F83-T130 WeakPolarHBondContact O-CA 3.49Å; A84-T130 HydrophobicContact CB-CG2 4.14Å; S128-T130 VanDerWaalsContact C-N 3.25Å; S128-T130 PolarHBondContact O-N 3.04Å; T130-F171 HydrophobicContact CG2-CE2 4.12Å; T130-F171 HydrophobicContact CG2-CZ 3.73Å |
| 131 | S | 96.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 158.2 | 179.3 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | F83 L107 | F83-S131 PolarHBondContact N-OG 3.38Å; F83-S131 PolarHBondContact O-N 3.46Å; L107-S131 WeakPolarHBondContact O-CA 3.43Å; L107-S131 WeakPolarHBondContact O-CB 3.06Å |
| 132 | R | 95.1 | Very high | 94.7 | Very high | 175 Ų | 175 | 71.6 Ų | 71.6 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 153.1 | 153.5 | 63.2 | 179.5 | 174.6 | 176.9 | -2.1 | 109.9 | V134 | R132-V134 WeakPolarHBondContact O-CG2 3.42Å; R132-V134 PolarHBondContact O-N 3.24Å |
| 133 | P | 95.8 | Very high | 94.9 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 137.3 | 173.2 | -24.3 | 33.7 | 0 | 0 | 0 | 111.9 | D80 V82 L165 | D80-P133 HydrophobicContact CB-CB 4.29Å; V82-P133 HydrophobicContact CG2-CB 4.27Å; V82-P133 HydrophobicContact CG2-CG 3.96Å; P133-L165 HydrophobicContact CG-CD2 4.26Å |
| 134 | V | 96.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 117.9 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | F81 F83 L95 L107 R132 L136 | F81-V134 PolarHBondContact N-O 3.41Å; F81-V134 PolarHBondContact O-N 3.11Å; F83-V134 HydrophobicContact CD2-CG2 4.35Å; F83-V134 HydrophobicContact CE2-CB 4.34Å; F83-V134 HydrophobicContact CE2-CG2 4.46Å; L95-V134 HydrophobicContact CD2-CG1 4.43Å; L107-V134 HydrophobicContact CD1-CG2 4Å; L107-V134 HydrophobicContact CD2-CG2 4.05Å; R132-V134 WeakPolarHBondContact O-CG2 3.42Å; R132-V134 PolarHBondContact O-N 3.24Å; V134-L136 HydrophobicContact CG1-CD2 3.78Å; V134-L136 HydrophobicContact CG1-CG 4.15Å; V134-L136 PolarHBondContact O-N 2.91Å |
| 135 | R | 95.7 | Very high | 95.4 | Very high | 145 Ų | 145 | 59.4 Ų | 59.4 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 112.5 | 177 | -168.2 | 72.9 | -164 | 179.7 | 6.1 | 110.6 | G79 D80 | G79-R135 WeakPolarHBondContact O-CA 3.31Å; D80-R135 VanDerWaalsContact OD1-CA 3.32Å; D80-R135 WeakPolarHBondContact OD1-CA 3.29Å; D80-R135 VanDerWaalsContact OD1-CB 3.29Å; D80-R135 WeakPolarHBondContact OD1-CB 3.39Å; D80-R135 VanDerWaalsContact OD1-CD 3.26Å; D80-R135 WeakPolarHBondContact OD1-CD 3Å; D80-R135 PolarHBondContact OD1-N 2.82Å; D80-R135 WeakPolarHBondContact OD2-CD 3.18Å; D80-R135 IonicContact OD2-CZ 3.82Å; D80-R135 IonicContact OD2-NE 3.86Å; D80-R135 IonicContact OD2-NH1 3.12Å; D80-R135 PolarHBondContact OD2-NH1 3.18Å |
| 136 | L | 96.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 161.8 | 179 | -57.8 | 178.6 | 0 | 0 | 0 | 111.3 | L73 P75 D78 G79 F81 F83 L95 V134 Y142 | L73-L136 HydrophobicContact CD2-CD1 4.42Å; P75-L136 HydrophobicContact CB-CB 4.28Å; P75-L136 HydrophobicContact CG-CB 3.68Å; P75-L136 HydrophobicContact CG-CD1 4.12Å; P75-L136 HydrophobicContact CG-CG 4.49Å; D78-L136 WeakPolarHBondContact CA-O 3.4Å; G79-L136 PolarHBondContact N-O 3.31Å; G79-L136 VanDerWaalsContact N-O 3.09Å; G79-L136 PolarHBondContact O-N 2.88Å; F81-L136 HydrophobicContact CB-CD1 4.22Å; F81-L136 HydrophobicContact CD2-CB 3.95Å; F81-L136 HydrophobicContact CD2-CD1 4.06Å; F81-L136 HydrophobicContact CD2-CG 4.25Å; F81-L136 HydrophobicContact CE2-CB 4.27Å; F81-L136 HydrophobicContact CG-CD1 4.23Å; F83-L136 HydrophobicContact CE2-CD1 3.86Å; F83-L136 HydrophobicContact CZ-CD1 3.67Å; L95-L136 HydrophobicContact CD2-CD1 4.39Å; L95-L136 HydrophobicContact CD2-CD2 4.27Å; V134-L136 HydrophobicContact CG1-CD2 3.78Å; V134-L136 HydrophobicContact CG1-CG 4.15Å; V134-L136 PolarHBondContact O-N 2.91Å; L136-Y142 HydrophobicContact CB-CE2 4.14Å; L136-Y142 HydrophobicContact CD2-CD1 3.85Å; L136-Y142 HydrophobicContact CD2-CD2 4.03Å; L136-Y142 HydrophobicContact CD2-CE1 3.61Å; L136-Y142 HydrophobicContact CD2-CE2 3.83Å; L136-Y142 HydrophobicContact CD2-CG 4.04Å |
| 137 | S | 95.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | trans | -128 | 136.3 | 176 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | D78 Q139 K140 Y142 | D78-S137 WeakPolarHBondContact OD1-CA 3.42Å; D78-S137 WeakPolarHBondContact OD1-CB 3.4Å; D78-S137 PolarHBondContact OD1-OG 3.16Å; S137-Q139 PolarHBondContact O-N 2.81Å; S137-Q139 PolarHBondContact OG-N 3.19Å; S137-K140 PolarHBondContact O-N 2.84Å; S137-K140 VanDerWaalsContact O-O 3.12Å; S137-Y142 PolarHBondContact N-OH 2.99Å; S137-Y142 VanDerWaalsContact N-OH 3.12Å | ||
| 138 | A | 92.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P75 D78 K140 | P75-A138 WeakPolarHBondContact O-CA 3.49Å; P75-A138 WeakPolarHBondContact O-CB 3.34Å; D78-A138 PolarHBondContact OD1-N 3.45Å; A138-K140 VanDerWaalsContact C-N 3.27Å |
| 139 | Q | 90.4 | Very high | 95.8 | Very high | 175 Ų | 175 | 46.4 Ų | 46.4 | 82% | 0.818 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.9 | 172.6 | -59 | -173.1 | 15.9 | 0 | 0 | 112.9 | S137 | S137-Q139 PolarHBondContact O-N 2.81Å; S137-Q139 PolarHBondContact OG-N 3.19Å |
| 140 | K | 93 | Very high | 95.6 | Very high | 134 Ų | 134 | 46.4 Ų | 46.4 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | trans | -119.4 | 151.1 | -178.4 | -67.2 | -175.4 | 179.4 | -178.2 | 0 | 111 | P75 S137 A138 Y142 | P75-K140 WeakPolarHBondContact CD-O 3.5Å; S137-K140 PolarHBondContact O-N 2.84Å; S137-K140 VanDerWaalsContact O-O 3.12Å; A138-K140 VanDerWaalsContact C-N 3.27Å; K140-Y142 HydrophobicContact CB-CD2 4.48Å; K140-Y142 HydrophobicContact CB-CE2 3.64Å | ||
| 141 | R | 94.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 45 Ų | 45 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | trans | -111 | 146.2 | 168.1 | 72.5 | -178.1 | 179 | 158.6 | 2.2 | 109.7 | Y72 L73 Q99 | Y72-R141 HydrophobicContact CD1-CG 4.02Å; Y72-R141 VanDerWaalsContact CE2-NH1 3.33Å; Y72-R141 HydrophobicContact CG-CG 4.3Å; L73-R141 VanDerWaalsContact O-CA 3.28Å; L73-R141 WeakPolarHBondContact O-CA 3.42Å; Q99-R141 HydrophobicContact CB-CG 4.06Å | ||
| 142 | Y | 97.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.5 | -174.4 | -61.2 | -96.2 | 0 | 0 | 0 | 109.2 | Y72 L73 P75 S96 T97 D98 L136 S137 K140 | Y72-Y142 CarbonylContact C-O 3.59Å; Y72-Y142 WeakPolarHBondContact CA-O 3.49Å; L73-Y142 PolarHBondContact N-O 3.01Å; L73-Y142 PolarHBondContact O-N 2.7Å; P75-Y142 HydrophobicContact CG-CD2 4.21Å; P75-Y142 HydrophobicContact CG-CE2 4.01Å; S96-Y142 WeakPolarHBondContact O-CD1 3.39Å; T97-Y142 WeakPolarHBondContact O-CE1 3.48Å; D98-Y142 WeakPolarHBondContact O-CA 3.15Å; L136-Y142 HydrophobicContact CB-CE2 4.14Å; L136-Y142 HydrophobicContact CD2-CD1 3.85Å; L136-Y142 HydrophobicContact CD2-CD2 4.03Å; L136-Y142 HydrophobicContact CD2-CE1 3.61Å; L136-Y142 HydrophobicContact CD2-CE2 3.83Å; L136-Y142 HydrophobicContact CD2-CG 4.04Å; S137-Y142 PolarHBondContact N-OH 2.99Å; S137-Y142 VanDerWaalsContact N-OH 3.12Å; K140-Y142 HydrophobicContact CB-CD2 4.48Å; K140-Y142 HydrophobicContact CB-CE2 3.64Å |
| 143 | F | 98 | Very high | 94 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.9 | 175.6 | 178.8 | -88.9 | 0 | 0 | 0 | 109.9 | F70 G71 Y72 S96 D98 P101 V104 E145 Y182 P197 T199 | F70-F143 HydrophobicContact CB-CE2 4.42Å; F70-F143 HydrophobicContact CB-CZ 4.04Å; F70-F143 HydrophobicContact CD2-CE2 4.23Å; F70-F143 HydrophobicContact CD2-CZ 4.36Å; G71-F143 WeakPolarHBondContact O-CA 3.29Å; G71-F143 WeakPolarHBondContact O-CD2 3.27Å; Y72-F143 HydrophobicContact CD1-CB 4.35Å; Y72-F143 HydrophobicContact CE1-CB 4.23Å; Y72-F143 HydrophobicContact CE1-CD2 4.4Å; S96-F143 VanDerWaalsContact CB-O 3.24Å; S96-F143 WeakPolarHBondContact CB-O 3.48Å; S96-F143 PolarHBondContact N-O 2.82Å; D98-F143 PolarHBondContact O-N 2.88Å; P101-F143 HydrophobicContact CB-CD1 3.91Å; P101-F143 HydrophobicContact CB-CD2 4.02Å; P101-F143 HydrophobicContact CB-CE1 3.88Å; P101-F143 HydrophobicContact CB-CE2 3.98Å; P101-F143 HydrophobicContact CB-CG 3.97Å; P101-F143 HydrophobicContact CB-CZ 3.91Å; V104-F143 HydrophobicContact CG1-CD1 3.56Å; V104-F143 HydrophobicContact CG1-CE1 3.89Å; F143-E145 HydrophobicContact CE1-CB 4.1Å; F143-Y182 AromaticContact CD2-CD2 3.63Å; F143-Y182 HydrophobicContact CD2-CD2 3.63Å; F143-Y182 AromaticContact CD2-CE2 3.99Å; F143-Y182 HydrophobicContact CD2-CE2 3.99Å; F143-Y182 AromaticContact CE2-CD2 3.51Å; F143-Y182 HydrophobicContact CE2-CD2 3.51Å; F143-Y182 AromaticContact CE2-CE2 3.9Å; F143-Y182 HydrophobicContact CE2-CE2 3.9Å; F143-Y182 HydrophobicContact CE2-CG 4.03Å; F143-P197 HydrophobicContact CE2-CG 4.16Å; F143-P197 HydrophobicContact CZ-CB 4.28Å; F143-P197 HydrophobicContact CZ-CG 3.93Å; F143-T199 HydrophobicContact CE1-CG2 4.1Å; F143-T199 HydrophobicContact CZ-CG2 4.35Å |
| 144 | F | 98.1 | Very high | 93 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.3 | 175.9 | 77.1 | -89.1 | 0 | 0 | 0 | 111.6 | A21 L56 I69 F70 G71 L73 W94 L95 V146 I179 | A21-F144 HydrophobicContact CB-CZ 3.76Å; L56-F144 HydrophobicContact CD1-CD2 4.2Å; L56-F144 HydrophobicContact CD1-CE2 3.71Å; L56-F144 HydrophobicContact CD1-CZ 4.03Å; L56-F144 HydrophobicContact CD2-CE2 3.68Å; L56-F144 HydrophobicContact CD2-CZ 3.77Å; L56-F144 HydrophobicContact CG-CE2 4.38Å; L56-F144 HydrophobicContact CG-CZ 4.5Å; I69-F144 HydrophobicContact CG2-CE2 4.27Å; F70-F144 VanDerWaalsContact CA-O 3.29Å; F70-F144 WeakPolarHBondContact CA-O 3.47Å; F70-F144 WeakPolarHBondContact CB-O 3.34Å; G71-F144 VanDerWaalsContact C-CE1 3.43Å; G71-F144 PolarHBondContact N-O 3.41Å; G71-F144 WeakPolarHBondContact O-CD1 3.49Å; G71-F144 PolarHBondContact O-N 3.03Å; L73-F144 HydrophobicContact CB-CD1 3.96Å; W94-F144 WeakPolarHBondContact O-CA 3.47Å; L95-F144 HydrophobicContact CD1-CB 3.74Å; F144-V146 HydrophobicContact CD2-CG2 4.1Å; F144-V146 HydrophobicContact CE2-CG2 4.26Å; F144-I179 HydrophobicContact CE1-CG2 4.03Å; F144-I179 HydrophobicContact CZ-CG2 4.16Å |
| 145 | E | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.2 | 175.9 | -173 | 170.7 | 157.8 | 0 | 0 | 109.9 | R68 I69 F70 W94 F143 I147 T199 A201 S202 | R68-E145 HydrophobicContact CG-CG 4.23Å; R68-E145 IonicContact CZ-OE1 2.74Å; R68-E145 IonicContact CZ-OE2 3.72Å; R68-E145 VanDerWaalsContact NE-CD 3.27Å; R68-E145 IonicContact NE-OE1 3.93Å; R68-E145 PolarHBondContact NE-OE1 3.49Å; R68-E145 IonicContact NE-OE2 3.75Å; R68-E145 IonicContact NH2-OE1 2.86Å; R68-E145 PolarHBondContact NH2-OE1 3.34Å; R68-E145 VanDerWaalsContact NH2-OE1 3.13Å; R68-E145 IonicContact NH2-OE2 3.22Å; R68-E145 PolarHBondContact NH2-OE2 3.14Å; I69-E145 CarbonylContact O-C 3.57Å; I69-E145 WeakPolarHBondContact O-CA 3.46Å; F70-E145 HydrophobicContact CB-CB 4.42Å; F70-E145 HydrophobicContact CB-CG 4.36Å; W94-E145 HydrophobicContact CB-CB 4.34Å; W94-E145 WeakPolarHBondContact CB-O 3.49Å; W94-E145 PolarHBondContact N-O 2.83Å; W94-E145 PolarHBondContact O-N 2.88Å; F143-E145 HydrophobicContact CE1-CB 4.1Å; E145-I147 HydrophobicContact CG-CG1 4.27Å; E145-T199 PolarHBondContact OE1-OG1 2.75Å; E145-T199 WeakPolarHBondContact OE2-CB 3.3Å; E145-T199 VanDerWaalsContact OE2-CG2 3.31Å; E145-T199 WeakPolarHBondContact OE2-CG2 3.41Å; E145-T199 PolarHBondContact OE2-OG1 3.31Å; E145-A201 HydrophobicContact CB-CB 4.48Å; E145-A201 HydrophobicContact CG-CB 4.26Å; E145-S202 PolarHBondContact OE1-OG 3.06Å |
| 146 | V | 98 | Very high | 91.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126 | 175.3 | -165.9 | 0 | 0 | 0 | 0 | 107.8 | R68 I69 E92 L93 F144 V158 V160 | R68-V146 CarbonylContact C-O 3.56Å; R68-V146 WeakPolarHBondContact CA-O 3.24Å; I69-V146 HydrophobicContact CB-CB 4.2Å; I69-V146 HydrophobicContact CB-CG2 4.44Å; I69-V146 PolarHBondContact N-O 2.96Å; I69-V146 PolarHBondContact O-N 2.97Å; E92-V146 WeakPolarHBondContact O-CA 3.34Å; L93-V146 HydrophobicContact CD1-CG2 4.04Å; F144-V146 HydrophobicContact CD2-CG2 4.1Å; F144-V146 HydrophobicContact CE2-CG2 4.26Å; V146-V158 HydrophobicContact CG1-CG2 3.99Å; V146-V160 HydrophobicContact CG1-CG2 3.96Å; V146-V160 HydrophobicContact CG2-CG2 3.86Å |
| 147 | I | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.1 | 178.5 | -57.7 | 174.1 | 0 | 0 | 0 | 107.8 | T34 L37 Y43 L67 S91 E92 E145 A201 | T34-I147 HydrophobicContact CG2-CG2 4.05Å; L37-I147 HydrophobicContact CD2-CG2 3.94Å; Y43-I147 WeakPolarHBondContact OH-CD1 3.34Å; L67-I147 WeakPolarHBondContact O-CA 3.1Å; S91-I147 CarbonylContact C-O 3.55Å; S91-I147 WeakPolarHBondContact CA-O 3.26Å; S91-I147 WeakPolarHBondContact CB-O 3.32Å; E92-I147 PolarHBondContact N-O 3.4Å; E92-I147 PolarHBondContact O-N 3.06Å; E145-I147 HydrophobicContact CG-CG1 4.27Å; I147-A201 HydrophobicContact CD1-CB 3.77Å; I147-A201 WeakPolarHBondContact CD1-O 3.28Å |
| 148 | H | 95.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.8 | 177.4 | 154.5 | 63.5 | 0 | 0 | 0 | 110.3 | Y65 G66 L67 D88 N90 Q150 V158 | Y65-H148 AromaticContact CE2-CD2 3.66Å; Y65-H148 AromaticContact CE2-NE2 3.36Å; Y65-H148 WeakPolarHBondContact CE2-NE2 3.42Å; Y65-H148 AromaticContact CZ-NE2 3.57Å; Y65-H148 PolarHBondContact OH-NE2 3.07Å; G66-H148 CarbonylContact C-O 3.5Å; G66-H148 VanDerWaalsContact CA-O 3.25Å; G66-H148 WeakPolarHBondContact CA-O 3.47Å; L67-H148 PolarHBondContact N-O 3.02Å; L67-H148 PolarHBondContact O-N 3.3Å; D88-H148 PolarHBondContact O-CE1 3.42Å; D88-H148 PolarHBondContact O-ND1 2.74Å; N90-H148 PolarHBondContact O-ND1 2.95Å; H148-Q150 PolarHBondContact CE1-OE1 2.65Å; H148-V158 HydrophobicContact CB-CB 3.93Å; H148-V158 HydrophobicContact CB-CG1 4.01Å; H148-V158 HydrophobicContact CB-CG2 3.99Å |
| 149 | K | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132 | 176.1 | -179.8 | 74.1 | -169.9 | 60.6 | 0 | 108.4 | W29 G31 S33 L37 Y65 D89 N90 | W29-K149 WeakPolarHBondContact O-CE 3.11Å; W29-K149 PolarHBondContact O-NZ 2.95Å; G31-K149 WeakPolarHBondContact O-CE 3.43Å; G31-K149 WeakPolarHBondContact O-CG 3.31Å; G31-K149 PolarHBondContact O-NZ 3.17Å; S33-K149 WeakPolarHBondContact O-CG 3.25Å; L37-K149 HydrophobicContact CB-CD 4.08Å; Y65-K149 WeakPolarHBondContact O-CD 3.36Å; Y65-K149 PolarHBondContact O-NZ 3.41Å; D89-K149 WeakPolarHBondContact CB-O 3.33Å; N90-K149 PolarHBondContact O-N 3.33Å; N90-K149 VanDerWaalsContact O-N 3.13Å |
| 150 | Q | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -114.3 | 138.5 | 172.8 | -173.5 | 70.8 | 25 | 0 | 0 | 110.8 | N64 Y65 D88 D89 H148 R153 D156 | N64-Q150 VanDerWaalsContact CA-O 3.29Å; N64-Q150 WeakPolarHBondContact CA-O 3.19Å; N64-Q150 PolarHBondContact N-O 2.94Å; Y65-Q150 HydrophobicContact CD1-CB 3.86Å; Y65-Q150 HydrophobicContact CD1-CG 4.29Å; Y65-Q150 HydrophobicContact CD2-CB 4.04Å; Y65-Q150 HydrophobicContact CE1-CB 3.5Å; Y65-Q150 HydrophobicContact CE1-CG 3.7Å; Y65-Q150 HydrophobicContact CE2-CB 3.61Å; Y65-Q150 HydrophobicContact CG-CB 4.13Å; Y65-Q150 PolarHBondContact N-O 3.47Å; Y65-Q150 PolarHBondContact O-N 2.87Å; D88-Q150 PolarHBondContact OD2-NE2 2.77Å; D89-Q150 WeakPolarHBondContact OD2-CA 3.38Å; H148-Q150 PolarHBondContact CE1-OE1 2.65Å; Q150-R153 PolarHBondContact NE2-O 2.91Å; Q150-D156 HydrophobicContact CG-CB 3.89Å | ||
| 151 | N | 89.4 | Confident | 91.9 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.123 | 15% | 0.149 | C | C | . | . | trans | -88.6 | -162.1 | -178.3 | 77.9 | 47.4 | 0 | 0 | 0 | 113.5 | T32 T63 N64 D89 R153 | T32-N151 HydrophobicContact CG2-CB 3.39Å; T63-N151 CarbonylContact C-O 3.58Å; T63-N151 WeakPolarHBondContact CA-O 3.21Å; T63-N151 WeakPolarHBondContact CB-O 2.99Å; N64-N151 PolarHBondContact N-O 3.11Å; D89-N151 PolarHBondContact OD1-ND2 2.99Å; D89-N151 WeakPolarHBondContact OD2-CB 3.48Å; D89-N151 PolarHBondContact OD2-N 2.88Å; D89-N151 PolarHBondContact OD2-ND2 2.78Å; N151-R153 PolarHBondContact O-N 2.81Å; N151-R153 WeakPolarHBondContact OD1-CA 3.32Å; N151-R153 VanDerWaalsContact OD1-CB 3.25Å; N151-R153 WeakPolarHBondContact OD1-CB 3.43Å; N151-R153 PolarHBondContact OD1-N 2.8Å | ||
| 152 | D | 83.3 | Confident | 92 | Very high | 81 Ų | 81 | 24.7 Ų | 24.7 | 43% | 0.433 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -74.3 | 0.5 | 179 | 57.4 | -55.3 | 0 | 0 | 0 | 115.1 | N64 | N64-D152 PolarHBondContact OD1-N 2.92Š|
| 153 | R | 80.9 | Confident | 91.8 | Very high | 175 Ų | 175 | 25.6 Ų | 25.6 | 66% | 0.66 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -144 | -173.7 | -165.3 | -41.7 | -180 | -170.9 | -143.2 | -16.8 | 110.5 | Q150 N151 | Q150-R153 PolarHBondContact NE2-O 2.91Å; N151-R153 PolarHBondContact O-N 2.81Å; N151-R153 WeakPolarHBondContact OD1-CA 3.32Å; N151-R153 VanDerWaalsContact OD1-CB 3.25Å; N151-R153 WeakPolarHBondContact OD1-CB 3.43Å; N151-R153 PolarHBondContact OD1-N 2.8Å |
| 154 | G | 75.7 | Confident | 91.5 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 59% | 0.588 | 14% | 0.143 | S | C | * | . | S | Bend | trans | 92.2 | -162 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D88 | D88-G154 VanDerWaalsContact OD2-CA 3.24Å; D88-G154 WeakPolarHBondContact OD2-CA 3.42Å |
| 155 | T | 74.3 | Confident | 90.9 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 64% | 0.638 | 17% | 0.166 | S | C | * | . | trans | -126.3 | 8.6 | -179.7 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | D88 | D88-T155 PolarHBondContact OD2-N 3.37Š| ||
| 156 | D | 82.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | trans | 52 | 90 | 161.2 | 103.1 | -51.7 | 0 | 0 | 0 | 117.4 | S59 P60 Q61 W62 Y65 D88 Q150 | S59-D156 WeakPolarHBondContact CA-O 3.48Å; S59-D156 WeakPolarHBondContact CB-O 3.36Å; S59-D156 PolarHBondContact OG-O 2.99Å; S59-D156 PolarHBondContact OG-OD1 3.23Å; S59-D156 VanDerWaalsContact OG-OD1 3.07Å; P60-D156 WeakPolarHBondContact CD-OD2 3.48Å; Q61-D156 WeakPolarHBondContact CA-OD1 3.34Å; Q61-D156 VanDerWaalsContact CA-OD2 3.29Å; Q61-D156 WeakPolarHBondContact CA-OD2 3Å; Q61-D156 VanDerWaalsContact N-CG 3.29Å; Q61-D156 PolarHBondContact N-OD1 2.78Å; Q61-D156 PolarHBondContact N-OD2 2.89Å; W62-D156 PolarHBondContact N-OD2 3.3Å; Y65-D156 HydrophobicContact CE1-CB 4.11Å; Y65-D156 WeakPolarHBondContact CE1-OD2 3.48Å; Y65-D156 WeakPolarHBondContact OH-CB 3.26Å; Y65-D156 PolarHBondContact OH-OD2 3.26Å; D88-D156 PolarHBondContact OD2-N 2.7Å; Q150-D156 HydrophobicContact CG-CB 3.89Å | ||
| 157 | H | 92.9 | Very high | 88.5 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.069 | 23% | 0.225 | C | C | . | . | trans | -147.8 | 158.1 | 169.7 | 66.9 | -83.1 | 0 | 0 | 0 | 113.5 | V58 S86 S87 D88 T118 P120 | V58-H157 CarbonylContact O-C 3.45Å; V58-H157 VanDerWaalsContact O-CA 3.26Å; V58-H157 WeakPolarHBondContact O-CA 3.23Å; S86-H157 PolarHBondContact OG-NE2 2.96Å; S87-H157 CarbonylContact C-O 3.59Å; S87-H157 WeakPolarHBondContact CA-O 3.4Å; S87-H157 VanDerWaalsContact CB-O 3.24Å; S87-H157 WeakPolarHBondContact CB-O 3.26Å; D88-H157 PolarHBondContact N-CE1 3Å; D88-H157 VanDerWaalsContact N-CE1 3.26Å; D88-H157 PolarHBondContact N-NE2 2.9Å; D88-H157 PolarHBondContact N-O 3.44Å; T118-H157 PolarHBondContact O-CE1 2.98Å; T118-H157 PolarHBondContact O-NE2 2.83Å; P120-H157 VanDerWaalsContact CD-CE1 3.44Å; P120-H157 WeakPolarHBondContact CD-CE1 3.46Å | ||
| 158 | V | 96.1 | Very high | 87 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134 | 158.1 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | A57 V58 L67 I69 V85 S86 V146 H148 | A57-V158 CarbonylContact C-O 3.47Å; A57-V158 WeakPolarHBondContact CA-O 3.43Å; V58-V158 PolarHBondContact N-O 3.07Å; V58-V158 PolarHBondContact O-N 2.72Å; L67-V158 HydrophobicContact CD1-CG1 4.05Å; I69-V158 HydrophobicContact CD1-CG1 4.42Å; V85-V158 HydrophobicContact CG2-CG2 4.47Å; S86-V158 CarbonylContact O-C 3.49Å; S86-V158 WeakPolarHBondContact O-CA 3.43Å; V146-V158 HydrophobicContact CG1-CG2 3.99Å; H148-V158 HydrophobicContact CB-CB 3.93Å; H148-V158 HydrophobicContact CB-CG1 4.01Å; H148-V158 HydrophobicContact CB-CG2 3.99Å |
| 159 | E | 96.6 | Very high | 85.9 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.1 | 175 | 62.6 | 173.4 | -167.6 | 0 | 0 | 113.3 | L56 A57 V85 S86 G121 F123 | L56-E159 CarbonylContact O-C 3.55Å; L56-E159 VanDerWaalsContact O-CA 3.23Å; L56-E159 WeakPolarHBondContact O-CA 3.32Å; A57-E159 HydrophobicContact CB-CB 3.61Å; V85-E159 WeakPolarHBondContact CA-O 3.43Å; S86-E159 PolarHBondContact N-O 2.85Å; S86-E159 PolarHBondContact O-N 2.93Å; G121-E159 WeakPolarHBondContact CA-OE1 3.27Å; G121-E159 PolarHBondContact N-OE1 2.93Å; F123-E159 HydrophobicContact CE1-CG 4.27Å; F123-E159 HydrophobicContact CZ-CG 4.23Å; F123-E159 WeakPolarHBondContact CZ-OE1 3.34Å |
| 160 | V | 97.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.2 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L56 A84 V85 L93 V146 I174 | L56-V160 HydrophobicContact CB-CB 3.93Å; L56-V160 HydrophobicContact CD1-CB 4.17Å; L56-V160 HydrophobicContact CD1-CG1 4.37Å; L56-V160 PolarHBondContact O-N 3.26Å; A84-V160 WeakPolarHBondContact O-CA 3.28Å; V85-V160 HydrophobicContact CG2-CG2 4.26Å; L93-V160 HydrophobicContact CD1-CG1 3.97Å; L93-V160 HydrophobicContact CD1-CG2 4.13Å; L93-V160 HydrophobicContact CD2-CG1 3.7Å; L93-V160 HydrophobicContact CG-CG1 4.45Å; V146-V160 HydrophobicContact CG1-CG2 3.96Å; V146-V160 HydrophobicContact CG2-CG2 3.86Å; V160-I174 HydrophobicContact CG1-CD1 3.91Å; V160-I174 PolarHBondContact O-N 2.77Å |
| 161 | A | 96.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 166.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F83 A84 F123 F171 T172 | F83-A161 CarbonylContact C-O 3.52Å; F83-A161 WeakPolarHBondContact CA-O 3.45Å; A84-A161 PolarHBondContact N-O 3.25Å; A84-A161 PolarHBondContact O-N 3Å; F123-A161 HydrophobicContact CE1-CB 3.96Å; F123-A161 HydrophobicContact CE2-CB 3.94Å; F123-A161 HydrophobicContact CZ-CB 3.54Å; A161-F171 HydrophobicContact CB-CB 3.89Å; A161-F171 HydrophobicContact CB-CD1 4.4Å; A161-T172 CarbonylContact C-O 3.56Å; A161-T172 WeakPolarHBondContact CA-O 3.25Å; A161-T172 WeakPolarHBondContact CB-O 3.49Å |
| 162 | W | 96 | Very high | 85.6 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.5 | 174.2 | 61.7 | 2.1 | 0 | 0 | 0 | 112 | L73 Y76 F81 V82 F83 F171 T172 I174 H178 | L73-W162 HydrophobicContact CD1-CE3 4.42Å; L73-W162 HydrophobicContact CD1-CH2 4.13Å; L73-W162 HydrophobicContact CD1-CZ3 3.78Å; L73-W162 HydrophobicContact CD2-CE3 4.32Å; L73-W162 HydrophobicContact CD2-CZ3 3.95Å; L73-W162 HydrophobicContact CG-CZ3 3.99Å; Y76-W162 HydrophobicContact CD1-CH2 4.28Å; Y76-W162 AromaticContact CD1-CZ2 3.73Å; Y76-W162 HydrophobicContact CD1-CZ2 3.73Å; Y76-W162 HydrophobicContact CE1-CZ2 4.1Å; F81-W162 HydrophobicContact CD1-CB 4.47Å; F81-W162 AromaticContact CD1-CD2 3.95Å; F81-W162 HydrophobicContact CD1-CD2 3.95Å; F81-W162 AromaticContact CD1-CE3 3.68Å; F81-W162 HydrophobicContact CD1-CE3 3.68Å; F81-W162 HydrophobicContact CD1-CG 4.31Å; F81-W162 HydrophobicContact CD1-CZ3 4.27Å; F81-W162 HydrophobicContact CE1-CD2 4.15Å; F81-W162 AromaticContact CE1-CE3 3.96Å; F81-W162 HydrophobicContact CE1-CE3 3.96Å; F81-W162 HydrophobicContact CE1-CZ3 4.18Å; F81-W162 HydrophobicContact CG-CE3 4.47Å; V82-W162 CarbonylContact O-C 3.53Å; V82-W162 VanDerWaalsContact O-CA 3.29Å; V82-W162 WeakPolarHBondContact O-CA 3.23Å; F83-W162 HydrophobicContact CD1-CB 4.13Å; F83-W162 HydrophobicContact CE1-CB 4.22Å; F83-W162 AromaticContact CE1-CE3 3.84Å; F83-W162 HydrophobicContact CE1-CE3 3.84Å; F83-W162 AromaticContact CZ-CE3 3.99Å; F83-W162 HydrophobicContact CZ-CE3 3.99Å; W162-F171 WeakPolarHBondContact O-CA 3.27Å; W162-T172 VanDerWaalsContact CD1-O 3.27Å; W162-T172 PolarHBondContact N-O 3.18Å; W162-T172 PolarHBondContact O-N 3.32Å; W162-T172 PolarHBondContact O-OG1 2.82Å; W162-T172 VanDerWaalsContact O-OG1 3.14Å; W162-I174 HydrophobicContact CB-CD1 4.37Å; W162-I174 HydrophobicContact CD2-CD1 3.99Å; W162-I174 HydrophobicContact CD2-CG1 3.97Å; W162-I174 HydrophobicContact CE3-CD1 4.05Å; W162-I174 HydrophobicContact CE3-CG1 4.48Å; W162-I174 HydrophobicContact CG-CD1 4.15Å; W162-I174 HydrophobicContact CG-CG1 3.97Å; W162-H178 HydrophobicContact CH2-CB 3.85Å; W162-H178 AromaticContact CH2-CG 3.79Å; W162-H178 AromaticContact CH2-ND1 3.94Å; W162-H178 HydrophobicContact CZ2-CB 3.9Å; W162-H178 AromaticContact CZ2-CD2 3.57Å; W162-H178 AromaticContact CZ2-CE1 3.96Å; W162-H178 AromaticContact CZ2-CG 3.44Å; W162-H178 VanDerWaalsContact CZ2-CG 3.44Å; W162-H178 AromaticContact CZ2-ND1 3.69Å; W162-H178 AromaticContact CZ2-NE2 3.91Å |
| 163 | Q | 93.5 | Very high | 86.1 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.5 | 166.4 | 64.3 | -173.8 | -1.6 | 0 | 0 | 110 | F81 V82 F171 | F81-Q163 WeakPolarHBondContact CA-O 3.38Å; V82-Q163 HydrophobicContact CB-CG 3.95Å; V82-Q163 HydrophobicContact CG1-CG 4.48Å; V82-Q163 PolarHBondContact N-O 2.76Å; V82-Q163 PolarHBondContact O-N 2.91Å; Q163-F171 HydrophobicContact CB-CD1 4.18Å; Q163-F171 HydrophobicContact CB-CE1 4.36Å; Q163-F171 HydrophobicContact CG-CD1 3.98Å; Q163-F171 HydrophobicContact CG-CE1 3.66Å; Q163-F171 HydrophobicContact CG-CZ 4.07Å; Q163-F171 VanDerWaalsContact NE2-CZ 3.3Å |
| 164 | L | 92.9 | Very high | 86.8 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.4 | 172.6 | 174.7 | 58.7 | 0 | 0 | 0 | 108.1 | Y76 T77 F81 D166 S167 S168 | Y76-L164 HydrophobicContact CE2-CD2 4.25Å; Y76-L164 WeakPolarHBondContact OH-CB 3.48Å; T77-L164 HydrophobicContact CG2-CD2 3.48Å; T77-L164 VanDerWaalsContact CG2-CD2 3.48Å; F81-L164 HydrophobicContact CE1-CB 4.42Å; F81-L164 HydrophobicContact CE2-CD1 4.31Å; F81-L164 HydrophobicContact CZ-CD1 4.43Å; L164-D166 PolarHBondContact O-N 3.07Å; L164-D166 VanDerWaalsContact O-N 3.13Å; L164-S167 PolarHBondContact O-N 3.38Å; L164-S168 PolarHBondContact O-N 2.92Å |
| 165 | L | 85.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36.9 | -166.3 | -172.6 | 64.4 | 0 | 0 | 0 | 113.5 | D80 V82 P133 | D80-L165 WeakPolarHBondContact O-CB 3.4Å; D80-L165 PolarHBondContact O-N 2.91Å; D80-L165 VanDerWaalsContact O-N 3.11Å; V82-L165 HydrophobicContact CG2-CD1 4.49Å; P133-L165 HydrophobicContact CG-CD2 4.26Å |
| 166 | D | 75.5 | Confident | 88.5 | Confident | 131 Ų | 131 | 54.3 Ų | 54.3 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.9 | -175.5 | -53.1 | -49.6 | 0 | 0 | 0 | 114.1 | L164 | L164-D166 PolarHBondContact O-N 3.07Å; L164-D166 VanDerWaalsContact O-N 3.13Å |
| 167 | S | 68.3 | Low | 89 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 56% | 0.559 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.9 | -10.2 | -170.1 | 90.9 | 0 | 0 | 0 | 0 | 117.5 | L164 | L164-S167 PolarHBondContact O-N 3.38Š|
| 168 | S | 66.6 | Low | 89.1 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -143.4 | 127.9 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | L164 R170 | L164-S168 PolarHBondContact O-N 2.92Å; S168-R170 VanDerWaalsContact C-N 3.27Å; S168-R170 PolarHBondContact OG-N 3.02Å; S168-R170 VanDerWaalsContact OG-N 3.12Å; S168-R170 PolarHBondContact OG-O 2.9Å | ||
| 169 | F | 72.2 | Confident | 89.1 | Confident | 206 Ų | 206 | 59.6 Ų | 59.6 | 90% | 0.904 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -89 | 14 | 168.4 | -56.5 | -71.7 | 0 | 0 | 0 | 112.9 | ||
| 170 | R | 85.1 | Confident | 89.1 | Confident | 198 Ų | 198 | 58.6 Ų | 58.6 | 75% | 0.747 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -136.6 | 132.8 | 179.7 | -58.6 | -170.3 | 76.5 | 175.3 | 3.7 | 111 | S168 | S168-R170 VanDerWaalsContact C-N 3.27Å; S168-R170 PolarHBondContact OG-N 3.02Å; S168-R170 VanDerWaalsContact OG-N 3.12Å; S168-R170 PolarHBondContact OG-O 2.9Å |
| 171 | F | 91.8 | Very high | 89 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | trans | -61.8 | 139.7 | 165.6 | -73.2 | -72.4 | 0 | 0 | 0 | 111.4 | V82 A84 F123 T130 A161 W162 Q163 | V82-F171 HydrophobicContact CG1-CE1 3.98Å; V82-F171 HydrophobicContact CG1-CZ 3.94Å; A84-F171 HydrophobicContact CB-CD1 3.59Å; A84-F171 HydrophobicContact CB-CD2 4.34Å; A84-F171 HydrophobicContact CB-CE1 3.42Å; A84-F171 VanDerWaalsContact CB-CE1 3.42Å; A84-F171 HydrophobicContact CB-CE2 4.19Å; A84-F171 HydrophobicContact CB-CG 4.07Å; A84-F171 HydrophobicContact CB-CZ 3.74Å; F123-F171 HydrophobicContact CB-CD2 4.02Å; F123-F171 HydrophobicContact CB-CE2 4.27Å; F123-F171 HydrophobicContact CD2-CB 3.77Å; F123-F171 HydrophobicContact CD2-CD2 4.1Å; F123-F171 HydrophobicContact CD2-CG 4.09Å; F123-F171 HydrophobicContact CE2-CB 3.95Å; F123-F171 HydrophobicContact CG-CD2 4.27Å; F123-F171 HydrophobicContact CG-CG 4.39Å; T130-F171 HydrophobicContact CG2-CE2 4.12Å; T130-F171 HydrophobicContact CG2-CZ 3.73Å; A161-F171 HydrophobicContact CB-CB 3.89Å; A161-F171 HydrophobicContact CB-CD1 4.4Å; W162-F171 WeakPolarHBondContact O-CA 3.27Å; Q163-F171 HydrophobicContact CB-CD1 4.18Å; Q163-F171 HydrophobicContact CB-CE1 4.36Å; Q163-F171 HydrophobicContact CG-CD1 3.98Å; Q163-F171 HydrophobicContact CG-CE1 3.66Å; Q163-F171 HydrophobicContact CG-CZ 4.07Å; Q163-F171 VanDerWaalsContact NE2-CZ 3.3Å | ||
| 172 | T | 93.1 | Very high | 88.9 | Confident | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.9 | 176.6 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | A161 W162 | A161-T172 CarbonylContact C-O 3.56Å; A161-T172 WeakPolarHBondContact CA-O 3.25Å; A161-T172 WeakPolarHBondContact CB-O 3.49Å; W162-T172 VanDerWaalsContact CD1-O 3.27Å; W162-T172 PolarHBondContact N-O 3.18Å; W162-T172 PolarHBondContact O-N 3.32Å; W162-T172 PolarHBondContact O-OG1 2.82Å; W162-T172 VanDerWaalsContact O-OG1 3.14Å |
| 173 | V | 94.3 | Very high | 88.7 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 141.6 | -179.5 | 174 | 0 | 0 | 0 | 0 | 110.4 | A57 E175 | A57-V173 HydrophobicContact CB-CG1 3.8Å; V173-E175 PolarHBondContact O-N 3.4Å; V173-E175 VanDerWaalsContact O-N 3.16Å |
| 174 | I | 95.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | trans | -78.1 | 104.5 | -177.3 | -57.8 | -176.7 | 0 | 0 | 0 | 110.1 | K55 L56 L73 F83 V160 W162 H178 I179 | K55-I174 WeakPolarHBondContact CA-O 3.43Å; L56-I174 HydrophobicContact CB-CB 4.27Å; L56-I174 HydrophobicContact CD1-CB 3.97Å; L56-I174 HydrophobicContact CD1-CD1 4.26Å; L56-I174 HydrophobicContact CD1-CG2 4.05Å; L56-I174 HydrophobicContact CG-CB 4.09Å; L56-I174 HydrophobicContact CG-CG2 4.27Å; L56-I174 PolarHBondContact N-O 2.94Å; L73-I174 HydrophobicContact CD1-CD1 3.99Å; L73-I174 HydrophobicContact CD1-CG2 3.66Å; F83-I174 HydrophobicContact CD1-CD1 4.09Å; F83-I174 HydrophobicContact CE1-CD1 3.83Å; V160-I174 HydrophobicContact CG1-CD1 3.91Å; V160-I174 PolarHBondContact O-N 2.77Å; W162-I174 HydrophobicContact CB-CD1 4.37Å; W162-I174 HydrophobicContact CD2-CD1 3.99Å; W162-I174 HydrophobicContact CD2-CG1 3.97Å; W162-I174 HydrophobicContact CE3-CD1 4.05Å; W162-I174 HydrophobicContact CE3-CG1 4.48Å; W162-I174 HydrophobicContact CG-CD1 4.15Å; W162-I174 HydrophobicContact CG-CG1 3.97Å; I174-H178 HydrophobicContact CG2-CB 3.97Å; I174-I179 HydrophobicContact CG2-CG2 3.91Å | ||
| 175 | E | 93 | Very high | 88.5 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -85.8 | 163.6 | -178.5 | -65.4 | -178.6 | 164.3 | 0 | 0 | 114.4 | V173 K177 H178 | V173-E175 PolarHBondContact O-N 3.4Å; V173-E175 VanDerWaalsContact O-N 3.16Å; E175-K177 HydrophobicContact CB-CG 4.44Å; E175-K177 PolarHBondContact O-N 2.9Å; E175-K177 WeakPolarHBondContact OE2-CE 3.35Å; E175-K177 IonicContact OE2-NZ 3.87Å; E175-K177 PolarHBondContact OE2-NZ 2.95Å; E175-H178 WeakPolarHBondContact O-CB 3.45Å; E175-H178 PolarHBondContact O-N 2.93Å |
| 176 | S | 92.4 | Very high | 88.6 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -35 | -47.9 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 115 | G19 Q54 H178 I179 | G19-S176 VanDerWaalsContact CA-O 3.27Å; G19-S176 WeakPolarHBondContact CA-O 3.48Å; G19-S176 PolarHBondContact N-O 2.7Å; G19-S176 VanDerWaalsContact O-CB 3.24Å; G19-S176 WeakPolarHBondContact O-CB 3.41Å; Q54-S176 WeakPolarHBondContact O-CA 3.49Å; Q54-S176 WeakPolarHBondContact O-CB 3.39Å; Q54-S176 PolarHBondContact O-N 3.1Å; S176-H178 PolarHBondContact O-N 2.73Å; S176-I179 WeakPolarHBondContact O-CG1 3.49Å; S176-I179 PolarHBondContact O-N 3.37Å |
| 177 | K | 92.7 | Very high | 89.2 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.4 | -14.5 | -178.8 | 71.6 | -155.9 | -177.1 | -161.1 | 0 | 114.5 | K18 E175 | K18-K177 WeakPolarHBondContact CE-O 3.3Å; K18-K177 PolarHBondContact NZ-O 3.24Å; E175-K177 HydrophobicContact CB-CG 4.44Å; E175-K177 PolarHBondContact O-N 2.9Å; E175-K177 WeakPolarHBondContact OE2-CE 3.35Å; E175-K177 IonicContact OE2-NZ 3.87Å; E175-K177 PolarHBondContact OE2-NZ 2.95Å |
| 178 | H | 95.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 66 Ų | 66 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -111.7 | 1.7 | 179.7 | -53.8 | -58.2 | 0 | 0 | 0 | 114.3 | L73 H74 Y76 W162 I174 E175 S176 | L73-H178 CarbonylContact C-O 3.6Å; H74-H178 PolarHBondContact N-O 2.71Å; Y76-H178 AromaticContact CD1-CE1 3.89Å; W162-H178 HydrophobicContact CH2-CB 3.85Å; W162-H178 AromaticContact CH2-CG 3.79Å; W162-H178 AromaticContact CH2-ND1 3.94Å; W162-H178 HydrophobicContact CZ2-CB 3.9Å; W162-H178 AromaticContact CZ2-CD2 3.57Å; W162-H178 AromaticContact CZ2-CE1 3.96Å; W162-H178 AromaticContact CZ2-CG 3.44Å; W162-H178 VanDerWaalsContact CZ2-CG 3.44Å; W162-H178 AromaticContact CZ2-ND1 3.69Å; W162-H178 AromaticContact CZ2-NE2 3.91Å; I174-H178 HydrophobicContact CG2-CB 3.97Å; E175-H178 WeakPolarHBondContact O-CB 3.45Å; E175-H178 PolarHBondContact O-N 2.93Å; S176-H178 PolarHBondContact O-N 2.73Å |
| 179 | I | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152 | -177.9 | 55.5 | 175.2 | 0 | 0 | 0 | 112.7 | G19 Q20 A21 L56 Y72 L73 F144 I174 S176 | G19-I179 PolarHBondContact N-O 2.64Å; Q20-I179 CarbonylContact O-C 3.59Å; A21-I179 HydrophobicContact CB-CD1 4.05Å; L56-I179 HydrophobicContact CG-CG2 4.47Å; Y72-I179 CarbonylContact O-C 3.51Å; Y72-I179 WeakPolarHBondContact O-CA 3.25Å; L73-I179 HydrophobicContact CD1-CG2 4.5Å; F144-I179 HydrophobicContact CE1-CG2 4.03Å; F144-I179 HydrophobicContact CZ-CG2 4.16Å; I174-I179 HydrophobicContact CG2-CG2 3.91Å; S176-I179 WeakPolarHBondContact O-CG1 3.49Å; S176-I179 PolarHBondContact O-N 3.37Å |
| 180 | S | 96.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.9 | 164.5 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | F17 Q20 Y72 H74 | F17-S180 WeakPolarHBondContact O-CA 3.37Å; F17-S180 VanDerWaalsContact O-CB 3.23Å; F17-S180 WeakPolarHBondContact O-CB 3.41Å; Q20-S180 CarbonylContact O-C 3.59Å; Q20-S180 WeakPolarHBondContact O-CA 3.48Å; Q20-S180 PolarHBondContact O-N 3.03Å; Y72-S180 PolarHBondContact N-O 2.74Å; Y72-S180 PolarHBondContact O-N 3.13Å; H74-S180 WeakPolarHBondContact NE2-CB 3.24Å; H74-S180 PolarHBondContact NE2-OG 2.72Å |
| 181 | L | 95.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | trans | -55.4 | 149.6 | 176.2 | -58.4 | -178 | 0 | 0 | 0 | 111.6 | F17 Q20 A21 T52 Y72 | F17-L181 HydrophobicContact CB-CB 3.97Å; F17-L181 HydrophobicContact CB-CD1 4.24Å; F17-L181 HydrophobicContact CB-CG 4.11Å; F17-L181 HydrophobicContact CD1-CD1 3.9Å; F17-L181 HydrophobicContact CG-CD1 4.39Å; F17-L181 PolarHBondContact O-N 3.39Å; F17-L181 VanDerWaalsContact O-N 3.15Å; Q20-L181 HydrophobicContact CB-CD2 3.6Å; Q20-L181 HydrophobicContact CB-CG 4.1Å; Q20-L181 PolarHBondContact O-N 3.18Å; Q20-L181 VanDerWaalsContact O-N 3.07Å; A21-L181 VanDerWaalsContact C-CD2 3.48Å; T52-L181 HydrophobicContact CG2-CD1 4.41Å; T52-L181 HydrophobicContact CG2-CD2 3.62Å; Y72-L181 WeakPolarHBondContact CD2-O 2.95Å | ||
| 182 | Y | 94.5 | Very high | 91.6 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -74.3 | -41 | 164.4 | 176.5 | -103.1 | 0 | 0 | 0 | 110.6 | N22 F70 Y72 P101 F143 H195 P197 | N22-Y182 PolarHBondContact OD1-N 2.95Å; F70-Y182 HydrophobicContact CD2-CD1 4.31Å; F70-Y182 HydrophobicContact CD2-CG 4.18Å; F70-Y182 AromaticContact CE2-CD1 3.9Å; F70-Y182 HydrophobicContact CE2-CD1 3.9Å; F70-Y182 HydrophobicContact CE2-CG 4.19Å; Y72-Y182 HydrophobicContact CE1-CD2 4.5Å; Y72-Y182 AromaticContact CE2-CD2 3.93Å; Y72-Y182 HydrophobicContact CE2-CD2 3.93Å; Y72-Y182 AromaticContact CZ-CD2 3.73Å; Y72-Y182 WeakPolarHBondContact OH-CD2 3.03Å; Y72-Y182 WeakPolarHBondContact OH-CE2 3.2Å; P101-Y182 HydrophobicContact CG-CE2 4.27Å; F143-Y182 AromaticContact CD2-CD2 3.63Å; F143-Y182 HydrophobicContact CD2-CD2 3.63Å; F143-Y182 AromaticContact CD2-CE2 3.99Å; F143-Y182 HydrophobicContact CD2-CE2 3.99Å; F143-Y182 AromaticContact CE2-CD2 3.51Å; F143-Y182 HydrophobicContact CE2-CD2 3.51Å; F143-Y182 AromaticContact CE2-CE2 3.9Å; F143-Y182 HydrophobicContact CE2-CE2 3.9Å; F143-Y182 HydrophobicContact CE2-CG 4.03Å; Y182-H195 WeakPolarHBondContact CE1-O 3.38Å; Y182-P197 HydrophobicContact CD1-CG 4.19Å; Y182-P197 HydrophobicContact CE1-CB 4.17Å; Y182-P197 HydrophobicContact CE1-CG 3.94Å |
| 183 | V | 93.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 24% | 0.242 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -157.9 | 148.5 | -176.8 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | N22 E185 | N22-V183 PolarHBondContact ND2-O 3.39Å; N22-V183 PolarHBondContact OD1-O 3.39Å; V183-E185 HydrophobicContact CG1-CG 3.92Å |
| 184 | D | 91.3 | Very high | 91.4 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 31% | 0.305 | S | S | . | . | trans | -81.3 | 128.9 | 169.5 | -163.7 | -16.8 | 0 | 0 | 0 | 109.5 | F17 S186 | F17-D184 HydrophobicContact CE1-CB 3.86Å; F17-D184 HydrophobicContact CZ-CB 4.28Å; D184-S186 VanDerWaalsContact OD1-CB 3.25Å; D184-S186 WeakPolarHBondContact OD1-CB 3.44Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 3.41Å | ||
| 185 | E | 91 | Very high | 91.3 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | trans | -112.7 | 1.8 | -178.6 | -60.1 | -175.5 | 93 | 0 | 0 | 112.4 | N22 H24 R50 V183 D187 L188 H195 | N22-E185 PolarHBondContact ND2-OE2 3.18Å; H24-E185 IonicContact CD2-OE2 2.86Å; H24-E185 IonicContact CE1-OE1 3.69Å; H24-E185 IonicContact CE1-OE2 2.71Å; H24-E185 VanDerWaalsContact NE2-CD 3.26Å; H24-E185 IonicContact NE2-OE1 3.38Å; H24-E185 PolarHBondContact NE2-OE1 3.42Å; H24-E185 IonicContact NE2-OE2 3.22Å; H24-E185 PolarHBondContact NE2-OE2 3.25Å; R50-E185 WeakPolarHBondContact CD-OE1 3.49Å; R50-E185 IonicContact NE-OE1 3.31Å; V183-E185 HydrophobicContact CG1-CG 3.92Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.42Å; E185-L188 HydrophobicContact CG-CD1 4.41Å; E185-L188 PolarHBondContact O-N 2.99Å; E185-H195 IonicContact OE1-CD2 2.76Å; E185-H195 IonicContact OE1-CE1 3.43Å; E185-H195 IonicContact OE1-NE2 3.24Å; E185-H195 PolarHBondContact OE1-NE2 3.38Å | ||
| 186 | S | 87 | Confident | 91.3 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 67% | 0.671 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36.9 | -169.5 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | D184 | D184-S186 VanDerWaalsContact OD1-CB 3.25Å; D184-S186 WeakPolarHBondContact OD1-CB 3.44Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 3.41Å |
| 187 | D | 87.4 | Confident | 91.4 | Very high | 159 Ų | 159 | 54.7 Ų | 54.7 | 85% | 0.85 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.1 | 178.3 | -66.5 | -42.2 | 0 | 0 | 0 | 113.4 | E185 | E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.42Å |
| 188 | L | 88.6 | Confident | 91.4 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | trans | -92.5 | 113.4 | -173.2 | -59.5 | -175.1 | 0 | 0 | 0 | 112 | E185 | E185-L188 HydrophobicContact CG-CD1 4.41Å; E185-L188 PolarHBondContact O-N 2.99Å | ||
| 189 | R | 87.1 | Confident | 91.3 | Very high | 109 Ų | 109 | 52 Ų | 52 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | trans | -57.4 | 150.3 | 171.9 | -56.6 | -168.9 | -169 | 165.4 | 6.8 | 111.1 | R50 S191 Y192 D799 D801 | R50-R189 PolarHBondContact NH1-O 2.75Å; R189-S191 PolarHBondContact O-N 2.77Å; R189-S191 VanDerWaalsContact O-N 3.12Å; R189-Y192 HydrophobicContact CB-CD2 4Å; R189-Y192 HydrophobicContact CB-CE2 4.32Å; R189-Y192 PolarHBondContact O-N 3.49Å; R189-D799 WeakPolarHBondContact CB-O 3.27Å; R189-D801 IonicContact CZ-OD2 2.68Å; R189-D801 IonicContact NH1-OD2 3.98Å; R189-D801 PolarHBondContact NH1-OD2 3.4Å; R189-D801 IonicContact NH2-OD2 3.77Å | ||
| 190 | M | 86.8 | Confident | 91.1 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.8 | -174.7 | -62.3 | -58.2 | -71.2 | 0 | 0 | 113.4 | P47 R50 Y192 A766 D799 | P47-M190 HydrophobicContact CG-CE 4.19Å; P47-M190 WeakPolarHBondContact O-CE 3.24Å; R50-M190 HydrophobicContact CG-CE 4.12Å; R50-M190 HydrophobicContact CG-SD 4.09Å; R50-M190 PolarHBondContact NH2-O 3.45Å; M190-Y192 VanDerWaalsContact C-N 3.26Å; M190-Y192 PolarHBondContact O-N 3.02Å; M190-A766 HydrophobicContact CB-CB 4.48Å; M190-D799 HydrophobicContact CB-CB 4.27Å; M190-D799 HydrophobicContact CG-CB 4.18Å; M190-D799 PolarHBondContact N-O 3.46Å; M190-D799 VanDerWaalsContact N-O 3.12Å |
| 191 | S | 84.8 | Confident | 90.8 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.6 | 175.6 | 63.7 | 0 | 0 | 0 | 0 | 115.3 | R189 D799 M800 | R189-S191 PolarHBondContact O-N 2.77Å; R189-S191 VanDerWaalsContact O-N 3.12Å; S191-D799 PolarHBondContact N-O 3.08Å; S191-M800 VanDerWaalsContact CB-CG 3.43Å; S191-M800 VanDerWaalsContact CB-SD 3.51Å |
| 192 | Y | 88.8 | Confident | 90.5 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | trans | -81.6 | 121.9 | 173.6 | -68.2 | -90.4 | 0 | 0 | 0 | 108.9 | R50 R189 M190 H195 | R50-Y192 VanDerWaalsContact CZ-O 3.3Å; R50-Y192 PolarHBondContact NH1-O 3.49Å; R50-Y192 PolarHBondContact NH2-O 3.39Å; R189-Y192 HydrophobicContact CB-CD2 4Å; R189-Y192 HydrophobicContact CB-CE2 4.32Å; R189-Y192 PolarHBondContact O-N 3.49Å; M190-Y192 VanDerWaalsContact C-N 3.26Å; M190-Y192 PolarHBondContact O-N 3.02Å; Y192-H195 PolarHBondContact O-CE1 3.13Å; Y192-H195 VanDerWaalsContact O-CE1 3.29Å | ||
| 193 | V | 91.8 | Very high | 90.2 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | trans | -132.3 | -5.8 | -175.6 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | L45 Y46 H195 I196 | L45-V193 HydrophobicContact CB-CB 4.36Å; L45-V193 HydrophobicContact CB-CG1 4.33Å; L45-V193 HydrophobicContact CD2-CB 4.11Å; L45-V193 HydrophobicContact CD2-CG2 4.34Å; L45-V193 WeakPolarHBondContact O-CG1 3.46Å; Y46-V193 HydrophobicContact CD1-CG1 3.68Å; Y46-V193 HydrophobicContact CE1-CG1 3.45Å; Y46-V193 VanDerWaalsContact CE1-CG1 3.45Å; Y46-V193 HydrophobicContact CE1-CG2 4.33Å; Y46-V193 HydrophobicContact CG-CG1 4.5Å; V193-H195 PolarHBondContact O-N 3.12Å; V193-H195 VanDerWaalsContact O-N 3.15Å; V193-I196 HydrophobicContact CB-CD1 4.03Å; V193-I196 HydrophobicContact CG1-CD1 4.16Å; V193-I196 WeakPolarHBondContact O-CB 3.38Å; V193-I196 WeakPolarHBondContact O-CG1 3.18Å; V193-I196 PolarHBondContact O-N 2.94Å | ||
| 194 | T | 91.4 | Very high | 89 | Confident | 140 Ų | 140 | 57 Ų | 57 | 86% | 0.859 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.3 | -172.7 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 195 | H | 92 | Very high | 87.4 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14 | 174.3 | 63.7 | -76.5 | 0 | 0 | 0 | 113.5 | Y182 E185 Y192 V193 P197 | Y182-H195 WeakPolarHBondContact CE1-O 3.38Å; E185-H195 IonicContact OE1-CD2 2.76Å; E185-H195 IonicContact OE1-CE1 3.43Å; E185-H195 IonicContact OE1-NE2 3.24Å; E185-H195 PolarHBondContact OE1-NE2 3.38Å; Y192-H195 PolarHBondContact O-CE1 3.13Å; Y192-H195 VanDerWaalsContact O-CE1 3.29Å; V193-H195 PolarHBondContact O-N 3.12Å; V193-H195 VanDerWaalsContact O-N 3.15Å; H195-P197 WeakPolarHBondContact O-CD 3.49Å |
| 196 | I | 94 | Very high | 85.3 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -75.8 | 117.9 | -171.9 | -59.7 | -179.4 | 0 | 0 | 0 | 109.3 | L45 R68 V193 Q198 | L45-I196 HydrophobicContact CD2-CB 4.34Å; L45-I196 WeakPolarHBondContact O-CD1 3.3Å; R68-I196 VanDerWaalsContact NH1-CG2 3.26Å; V193-I196 HydrophobicContact CB-CD1 4.03Å; V193-I196 HydrophobicContact CG1-CD1 4.16Å; V193-I196 WeakPolarHBondContact O-CB 3.38Å; V193-I196 WeakPolarHBondContact O-CG1 3.18Å; V193-I196 PolarHBondContact O-N 2.94Å; I196-Q198 PolarHBondContact O-N 3.15Å; I196-Q198 PolarHBondContact O-NE2 3.26Å |
| 197 | P | 93.4 | Very high | 83.2 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 5% | 0.045 | 35% | 0.352 | C | S | . | . | trans | -65.2 | 126 | -173.8 | 24.7 | -31.5 | 0 | 0 | 0 | 110.4 | R68 F70 P101 F143 Y182 H195 T199 | R68-P197 PolarHBondContact NH1-O 2.96Å; R68-P197 PolarHBondContact NH2-O 3.33Å; F70-P197 HydrophobicContact CD2-CG 3.95Å; F70-P197 HydrophobicContact CE2-CG 3.96Å; P101-P197 HydrophobicContact CB-CB 3.89Å; P101-P197 HydrophobicContact CG-CB 4.25Å; F143-P197 HydrophobicContact CE2-CG 4.16Å; F143-P197 HydrophobicContact CZ-CB 4.28Å; F143-P197 HydrophobicContact CZ-CG 3.93Å; Y182-P197 HydrophobicContact CD1-CG 4.19Å; Y182-P197 HydrophobicContact CE1-CB 4.17Å; Y182-P197 HydrophobicContact CE1-CG 3.94Å; H195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-T199 HydrophobicContact CB-CG2 3.99Å | ||
| 198 | Q | 92.9 | Very high | 81 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -90.5 | 113.4 | 172.5 | -57.5 | -51.2 | -84.1 | 0 | 0 | 107.7 | L45 I196 H203 | L45-Q198 VanDerWaalsContact CD2-NE2 3.29Å; I196-Q198 PolarHBondContact O-N 3.15Å; I196-Q198 PolarHBondContact O-NE2 3.26Å; Q198-H203 PolarHBondContact OE1-CE1 3.4Å; Q198-H203 VanDerWaalsContact OE1-CE1 3.23Å; Q198-H203 PolarHBondContact OE1-NE2 2.86Å | ||
| 199 | T | 93.6 | Very high | 79 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | trans | -128.6 | 159.2 | -166.7 | 68 | 0 | 0 | 0 | 0 | 111 | P101 F143 E145 P197 A201 S202 H203 | P101-T199 HydrophobicContact CB-CG2 4Å; F143-T199 HydrophobicContact CE1-CG2 4.1Å; F143-T199 HydrophobicContact CZ-CG2 4.35Å; E145-T199 PolarHBondContact OE1-OG1 2.75Å; E145-T199 WeakPolarHBondContact OE2-CB 3.3Å; E145-T199 VanDerWaalsContact OE2-CG2 3.31Å; E145-T199 WeakPolarHBondContact OE2-CG2 3.41Å; E145-T199 PolarHBondContact OE2-OG1 3.31Å; P197-T199 HydrophobicContact CB-CG2 3.99Å; T199-A201 PolarHBondContact O-N 2.88Å; T199-A201 VanDerWaalsContact O-N 3.17Å; T199-A201 PolarHBondContact OG1-N 2.7Å; T199-S202 PolarHBondContact O-N 3Å; T199-S202 VanDerWaalsContact O-N 3.1Å; T199-S202 PolarHBondContact OG1-N 2.91Å; T199-H203 PolarHBondContact O-CD2 3.47Å | ||
| 200 | A | 91.6 | Very high | 76.8 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 37% | 0.372 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W94 V104 | W94-A200 HydrophobicContact CZ3-CB 4.2Å; V104-A200 HydrophobicContact CG2-CB 4.12Å |
| 201 | A | 91.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -45 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 W94 E145 I147 T199 H203 | R38-A201 VanDerWaalsContact CZ-O 3.26Å; R38-A201 PolarHBondContact NE-O 3.39Å; R38-A201 PolarHBondContact NH2-O 3.29Å; W94-A201 HydrophobicContact CB-CB 4.11Å; W94-A201 HydrophobicContact CD2-CB 3.41Å; W94-A201 VanDerWaalsContact CD2-CB 3.41Å; W94-A201 HydrophobicContact CE3-CB 3.94Å; W94-A201 HydrophobicContact CG-CB 3.46Å; W94-A201 VanDerWaalsContact CG-CB 3.46Å; W94-A201 HydrophobicContact CZ2-CB 4.28Å; E145-A201 HydrophobicContact CB-CB 4.48Å; E145-A201 HydrophobicContact CG-CB 4.26Å; I147-A201 HydrophobicContact CD1-CB 3.77Å; I147-A201 WeakPolarHBondContact CD1-O 3.28Å; T199-A201 PolarHBondContact O-N 2.88Å; T199-A201 VanDerWaalsContact O-N 3.17Å; T199-A201 PolarHBondContact OG1-N 2.7Å; A201-H203 VanDerWaalsContact C-N 3.32Å; A201-H203 PolarHBondContact O-N 3.17Å |
| 202 | S | 88.6 | Confident | 73.6 | Confident | 2 Ų | 2 | 93.4 Ų | 93.4 | 1% | 0.014 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3 | -174.1 | -86.4 | 0 | 0 | 0 | 0 | 116.1 | Y43 R68 E145 T199 | Y43-S202 VanDerWaalsContact CE1-O 3.31Å; Y43-S202 WeakPolarHBondContact CE1-O 3.29Å; R68-S202 PolarHBondContact NE-OG 3.34Å; R68-S202 PolarHBondContact NH2-OG 2.73Å; R68-S202 VanDerWaalsContact NH2-OG 3.07Å; E145-S202 PolarHBondContact OE1-OG 3.06Å; T199-S202 PolarHBondContact O-N 3Å; T199-S202 VanDerWaalsContact O-N 3.1Å; T199-S202 PolarHBondContact OG1-N 2.91Å |
| 203 | H | 87.8 | Confident | 72.1 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -128.3 | 154.1 | -177.6 | -56.7 | -57.9 | 0 | 0 | 0 | 111.7 | Q198 T199 A201 | Q198-H203 PolarHBondContact OE1-CE1 3.4Å; Q198-H203 VanDerWaalsContact OE1-CE1 3.23Å; Q198-H203 PolarHBondContact OE1-NE2 2.86Å; T199-H203 PolarHBondContact O-CD2 3.47Å; A201-H203 VanDerWaalsContact C-N 3.32Å; A201-H203 PolarHBondContact O-N 3.17Å |
| 204 | E | 68.9 | Low | 70.9 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | trans | -69.9 | 135 | 174.3 | -70.6 | -160.4 | 145.3 | 0 | 0 | 111.9 | R38 T206 | R38-E204 HydrophobicContact CB-CG 3.97Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 HydrophobicContact CB-CG2 4.46Å; E204-T206 PolarHBondContact O-N 2.83Å | ||
| 205 | H | 56.3 | Low | 70.5 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 74% | 0.741 | 45% | 0.453 | S | S | * | . | trans | -70 | 91.1 | 157.1 | -81.9 | -59.7 | 0 | 0 | 0 | 109.2 | S207 | H205-S207 PolarHBondContact O-N 3.25Š| ||
| 206 | T | 47.9 | Very low | 70.3 | Confident | 114 Ų | 114 | 88.4 Ų | 88.4 | 70% | 0.699 | 46% | 0.457 | S | S | * | . | trans | -62.4 | 91.2 | -175.1 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | E204 S208 | E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 HydrophobicContact CB-CG2 4.46Å; E204-T206 PolarHBondContact O-N 2.83Å; T206-S208 VanDerWaalsContact C-N 3.31Å; T206-S208 PolarHBondContact O-N 3.35Å | ||
| 207 | S | 43.4 | Very low | 70 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 74% | 0.741 | 46% | 0.455 | S | S | * | . | trans | -72 | 90.9 | 165.4 | 69.6 | 0 | 0 | 0 | 0 | 108.7 | H205 K209 | H205-S207 PolarHBondContact O-N 3.25Å; S207-K209 PolarHBondContact O-N 3.08Å | ||
| 208 | S | 41 | Very low | 69.8 | Low | 114 Ų | 114 | 90 Ų | 90 | 80% | 0.797 | 47% | 0.465 | S | S | * | . | trans | -71.6 | 43.9 | -168.3 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | T206 Q210 | T206-S208 VanDerWaalsContact C-N 3.31Å; T206-S208 PolarHBondContact O-N 3.35Å; S208-Q210 PolarHBondContact O-N 3.27Å | ||
| 209 | K | 45.3 | Very low | 69.6 | Low | 190 Ų | 190 | 91.5 Ų | 91.5 | 83% | 0.826 | 47% | 0.467 | S | S | * | . | trans | -74.2 | 108.9 | 160.8 | -72.9 | -176.5 | 177.5 | 177.8 | 0 | 108 | S207 R211 | S207-K209 PolarHBondContact O-N 3.08Å; K209-R211 VanDerWaalsContact C-N 3.35Å; K209-R211 PolarHBondContact O-N 3.43Å | ||
| 210 | Q | 41.7 | Very low | 69.4 | Low | 193 Ų | 193 | 101 Ų | 101 | 90% | 0.902 | 51% | 0.511 | S | S | * | . | trans | -54.1 | 99.9 | 164.5 | -71.4 | 174.4 | -62.3 | 0 | 0 | 108.9 | S208 R212 | S208-Q210 PolarHBondContact O-N 3.27Å; Q210-R212 PolarHBondContact O-N 3.38Å | ||
| 211 | R | 52 | Low | 69.5 | Low | 235 Ų | 235 | 99.8 Ų | 99.8 | 89% | 0.887 | 50% | 0.499 | S | S | * | . | trans | -61 | 124.4 | 157.9 | -82.1 | -179.5 | 150 | -173.4 | -8 | 105.7 | K209 A213 | K209-R211 VanDerWaalsContact C-N 3.35Å; K209-R211 PolarHBondContact O-N 3.43Å; R211-A213 PolarHBondContact O-N 2.93Å | ||
| 212 | R | 51.7 | Low | 69.5 | Low | 234 Ų | 234 | 102.6 Ų | 102.6 | 88% | 0.883 | 52% | 0.517 | S | S | * | . | trans | -54.3 | 138.9 | 162.6 | -69.4 | 179.5 | 174.5 | 177.8 | -3 | 107 | Q210 A214 | Q210-R212 PolarHBondContact O-N 3.38Å; R212-A214 PolarHBondContact O-N 3.43Å | ||
| 213 | A | 57.4 | Low | 69.7 | Low | 53 Ų | 53 | 104 Ų | 104 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | trans | -51.4 | 116 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R211 L218 | R211-A213 PolarHBondContact O-N 2.93Å; A213-L218 HydrophobicContact CB-CB 4.08Å | ||
| 214 | A | 67 | Low | 69.9 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -77.6 | -13.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R212 | R212-A214 PolarHBondContact O-N 3.43Š|
| 215 | V | 83.8 | Confident | 71 | Confident | 4 Ų | 4 | 99.2 Ų | 99.2 | 2% | 0.024 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -103.9 | 125.5 | 177 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | M217 L218 A887 | V215-M217 VanDerWaalsContact C-N 3.35Å; V215-M217 HydrophobicContact CG1-CB 4.44Å; V215-M217 HydrophobicContact CG1-CG 3.74Å; V215-M217 HydrophobicContact CG1-SD 4.09Å; V215-M217 PolarHBondContact O-N 3.38Å; V215-L218 HydrophobicContact CB-CD1 3.93Å; V215-L218 HydrophobicContact CB-CG 4.02Å; V215-L218 HydrophobicContact CG1-CG 4.22Å; V215-L218 HydrophobicContact CG2-CD1 4.22Å; V215-L218 PolarHBondContact O-N 3.42Å; V215-A887 HydrophobicContact CG1-CB 4.39Å; V215-A887 HydrophobicContact CG2-CB 4.36Å |
| 216 | D | 86.4 | Confident | 72.6 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -62.8 | -36.6 | -177.4 | -92.8 | -49.9 | 0 | 0 | 0 | 113 | L218 R219 T280 | D216-L218 PolarHBondContact O-N 3.02Å; D216-R219 WeakPolarHBondContact O-CB 3.28Å; D216-R219 VanDerWaalsContact O-CD 3.25Å; D216-R219 WeakPolarHBondContact O-CD 3.5Å; D216-R219 VanDerWaalsContact O-CG 3.25Å; D216-R219 WeakPolarHBondContact O-CG 3.38Å; D216-R219 PolarHBondContact O-N 3.27Å; D216-R219 WeakPolarHBondContact OD1-CD 3.41Å; D216-R219 IonicContact OD1-CZ 2.78Å; D216-R219 IonicContact OD1-NE 3.9Å; D216-R219 IonicContact OD1-NH1 2.87Å; D216-R219 PolarHBondContact OD1-NH1 3.28Å; D216-T280 PolarHBondContact OD2-OG1 2.95Å |
| 217 | M | 88.1 | Confident | 74.6 | Confident | 1 Ų | 1 | 87.8 Ų | 87.8 | 1% | 0.005 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -65.1 | -20.4 | -178.7 | 85.3 | -162.1 | -81.1 | 0 | 0 | 114.4 | V215 R219 Y276 L279 L876 W891 R945 N946 F948 | V215-M217 VanDerWaalsContact C-N 3.35Å; V215-M217 HydrophobicContact CG1-CB 4.44Å; V215-M217 HydrophobicContact CG1-CG 3.74Å; V215-M217 HydrophobicContact CG1-SD 4.09Å; V215-M217 PolarHBondContact O-N 3.38Å; M217-R219 VanDerWaalsContact C-N 3.32Å; M217-Y276 WeakPolarHBondContact CA-O 3.18Å; M217-Y276 VanDerWaalsContact CB-O 3.31Å; M217-Y276 WeakPolarHBondContact CB-O 3.35Å; M217-Y276 PolarHBondContact N-O 2.96Å; M217-L279 HydrophobicContact SD-CD2 4.09Å; M217-L876 HydrophobicContact CE-CD2 4.33Å; M217-L876 HydrophobicContact SD-CD2 4.02Å; M217-W891 HydrophobicContact CE-CH2 3.51Å; M217-W891 HydrophobicContact CE-CZ2 3.94Å; M217-W891 HydrophobicContact CE-CZ3 4.44Å; M217-R945 PolarHBondContact O-NE 3Å; M217-R945 PolarHBondContact O-NH2 3.31Å; M217-N946 PolarHBondContact O-OD1 2.97Å; M217-F948 HydrophobicContact CE-CE1 3.69Å; M217-F948 HydrophobicContact CE-CZ 4.08Å; M217-F948 HydrophobicContact SD-CE1 4.05Å; M217-F948 HydrophobicContact SD-CZ 4.46Å |
| 218 | L | 89.5 | Confident | 77 | Confident | 47 Ų | 47 | 88.7 Ų | 88.7 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -88.8 | 6.1 | -178.7 | -60.8 | -178.5 | 0 | 0 | 0 | 113.2 | A213 V215 D216 P884 A887 F948 | A213-L218 HydrophobicContact CB-CB 4.08Å; V215-L218 HydrophobicContact CB-CD1 3.93Å; V215-L218 HydrophobicContact CB-CG 4.02Å; V215-L218 HydrophobicContact CG1-CG 4.22Å; V215-L218 HydrophobicContact CG2-CD1 4.22Å; V215-L218 PolarHBondContact O-N 3.42Å; D216-L218 PolarHBondContact O-N 3.02Å; L218-P884 WeakPolarHBondContact CD1-O 3.44Å; L218-P884 WeakPolarHBondContact CD2-O 3.19Å; L218-A887 HydrophobicContact CD1-CB 4.31Å; L218-F948 HydrophobicContact CD2-CE2 4.45Å; L218-F948 HydrophobicContact CD2-CZ 3.85Å |
| 219 | R | 89 | Confident | 79.4 | Confident | 106 Ų | 106 | 84.8 Ų | 84.8 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -78.6 | 135 | 177.2 | -67 | 164.7 | 51.3 | 176.1 | -6.7 | 110.3 | D216 M217 D221 R945 | D216-R219 WeakPolarHBondContact O-CB 3.28Å; D216-R219 VanDerWaalsContact O-CD 3.25Å; D216-R219 WeakPolarHBondContact O-CD 3.5Å; D216-R219 VanDerWaalsContact O-CG 3.25Å; D216-R219 WeakPolarHBondContact O-CG 3.38Å; D216-R219 PolarHBondContact O-N 3.27Å; D216-R219 WeakPolarHBondContact OD1-CD 3.41Å; D216-R219 IonicContact OD1-CZ 2.78Å; D216-R219 IonicContact OD1-NE 3.9Å; D216-R219 IonicContact OD1-NH1 2.87Å; D216-R219 PolarHBondContact OD1-NH1 3.28Å; M217-R219 VanDerWaalsContact C-N 3.32Å; R219-D221 PolarHBondContact O-N 2.7Å; R219-R945 PolarHBondContact O-NH2 3.45Å |
| 220 | E | 89.5 | Confident | 81.7 | Confident | 202 Ų | 202 | 81.8 Ų | 81.8 | 94% | 0.944 | 40% | 0.398 | S | S | * | . | trans | -46.1 | 124.5 | 176 | -66.3 | 175 | -170.3 | 0 | 0 | 112.3 | ||||
| 221 | D | 92.5 | Very high | 84.2 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 11% | 0.112 | 37% | 0.371 | C | S | . | . | trans | -134.4 | 133.9 | -179 | -163.4 | -68.8 | 0 | 0 | 0 | 112 | R219 R223 D224 R945 | R219-D221 PolarHBondContact O-N 2.7Å; D221-R223 PolarHBondContact O-N 2.87Å; D221-R223 VanDerWaalsContact O-N 3.08Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 IonicContact OD1-CZ 3.13Å; D221-R223 PolarHBondContact OD1-N 2.88Å; D221-R223 IonicContact OD1-NE 3.35Å; D221-R223 PolarHBondContact OD1-NE 2.76Å; D221-R223 IonicContact OD1-NH2 2.83Å; D221-R223 IonicContact OD2-CZ 3.21Å; D221-R223 IonicContact OD2-NE 3.77Å; D221-R223 IonicContact OD2-NH2 3.7Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å; D221-D224 PolarHBondContact O-N 2.81Å; D221-R945 IonicContact OD2-CZ 2.7Å; D221-R945 IonicContact OD2-NH1 2.86Å; D221-R945 PolarHBondContact OD2-NH1 3.36Å | ||
| 222 | P | 92.7 | Very high | 86.3 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.3 | 177.3 | -27.9 | 37.2 | 0 | 0 | 0 | 115.8 | L226 L683 | P222-L226 PolarHBondContact O-N 2.85Å; P222-L683 HydrophobicContact CB-CD2 3.52Å |
| 223 | R | 91.9 | Very high | 88.2 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -38.3 | 172.9 | -76.8 | 166.8 | -80.2 | -149.8 | -4.2 | 112.5 | D221 A225 L226 P273 N274 L683 | D221-R223 PolarHBondContact O-N 2.87Å; D221-R223 VanDerWaalsContact O-N 3.08Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 IonicContact OD1-CZ 3.13Å; D221-R223 PolarHBondContact OD1-N 2.88Å; D221-R223 IonicContact OD1-NE 3.35Å; D221-R223 PolarHBondContact OD1-NE 2.76Å; D221-R223 IonicContact OD1-NH2 2.83Å; D221-R223 IonicContact OD2-CZ 3.21Å; D221-R223 IonicContact OD2-NE 3.77Å; D221-R223 IonicContact OD2-NH2 3.7Å; D221-R223 PolarHBondContact OD2-NH2 2.78Å; R223-A225 VanDerWaalsContact C-N 3.25Å; R223-A225 PolarHBondContact O-N 2.95Å; R223-L226 VanDerWaalsContact O-CB 3.25Å; R223-L226 WeakPolarHBondContact O-CB 3.25Å; R223-L226 PolarHBondContact O-N 3.17Å; R223-L226 VanDerWaalsContact O-N 3.09Å; R223-P273 PolarHBondContact NH1-O 3.16Å; R223-N274 PolarHBondContact NH2-O 3.35Å; R223-L683 VanDerWaalsContact CD-O 3.26Å; R223-L683 WeakPolarHBondContact CD-O 3.33Å; R223-L683 HydrophobicContact CG-CB 4.48Å; R223-L683 WeakPolarHBondContact CG-O 3.38Å |
| 224 | D | 92.1 | Very high | 89.7 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.3 | -173.2 | -61.7 | -17.6 | 0 | 0 | 0 | 111.2 | D221 Y227 R945 N946 | D221-D224 PolarHBondContact O-N 2.81Å; D224-Y227 VanDerWaalsContact O-CE1 3.23Å; D224-Y227 WeakPolarHBondContact O-CE1 3.5Å; D224-R945 IonicContact OD2-NH2 3.7Å; D224-N946 PolarHBondContact OD2-ND2 3.29Å; D224-N946 VanDerWaalsContact OD2-ND2 3.12Å |
| 225 | A | 91.9 | Very high | 90.8 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 7.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R223 Y227 Q228 | R223-A225 VanDerWaalsContact C-N 3.25Å; R223-A225 PolarHBondContact O-N 2.95Å; A225-Y227 PolarHBondContact O-N 3.42Å; A225-Y227 VanDerWaalsContact O-N 3.12Å; A225-Q228 WeakPolarHBondContact O-CB 3.46Å; A225-Q228 WeakPolarHBondContact O-CG 3.35Å; A225-Q228 PolarHBondContact O-N 3.28Å |
| 226 | L | 90.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -58.9 | -31.3 | -172 | 178 | 53.1 | 0 | 0 | 0 | 113.3 | P222 R223 Q228 V229 L683 E700 R712 | P222-L226 PolarHBondContact O-N 2.85Å; R223-L226 VanDerWaalsContact O-CB 3.25Å; R223-L226 WeakPolarHBondContact O-CB 3.25Å; R223-L226 PolarHBondContact O-N 3.17Å; R223-L226 VanDerWaalsContact O-N 3.09Å; L226-Q228 PolarHBondContact O-N 3.08Å; L226-Q228 VanDerWaalsContact O-N 3.08Å; L226-V229 HydrophobicContact CD1-CB 4.47Å; L226-V229 HydrophobicContact CD1-CG2 4.4Å; L226-V229 PolarHBondContact O-N 3.4Å; L226-V229 VanDerWaalsContact O-N 3.08Å; L226-L683 HydrophobicContact CD1-CD1 3.33Å; L226-L683 HydrophobicContact CD2-CD1 3.93Å; L226-L683 HydrophobicContact CG-CD1 4.19Å; L226-E700 HydrophobicContact CD2-CB 4.24Å; L226-E700 WeakPolarHBondContact CD2-OE1 3.22Å; L226-R712 HydrophobicContact CD1-CB 3.72Å; L226-R712 HydrophobicContact CD1-CG 4.37Å; L226-R712 WeakPolarHBondContact O-CD 3.18Å; L226-R712 PolarHBondContact O-NE 3.2Å |
| 227 | Y | 89.9 | Confident | 91.5 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 11% | 0.114 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -56.2 | -27.8 | 178.5 | 62.9 | -96.6 | 0 | 0 | 0 | 113.2 | D224 A225 V229 R712 T783 | D224-Y227 VanDerWaalsContact O-CE1 3.23Å; D224-Y227 WeakPolarHBondContact O-CE1 3.5Å; A225-Y227 PolarHBondContact O-N 3.42Å; A225-Y227 VanDerWaalsContact O-N 3.12Å; Y227-V229 VanDerWaalsContact C-N 3.3Å; Y227-V229 PolarHBondContact O-N 3.44Å; Y227-R712 PolarHBondContact O-NH2 3.18Å; Y227-T783 HydrophobicContact CD2-CG2 3.85Å; Y227-T783 HydrophobicContact CE2-CG2 3.72Å; Y227-T783 HydrophobicContact CG-CG2 4.33Å |
| 228 | Q | 92.1 | Very high | 91.6 | Very high | 124 Ų | 124 | 68.5 Ų | 68.5 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -71.5 | -20 | -179.3 | -56.2 | -179.2 | 3.6 | 0 | 0 | 113.5 | A225 L226 | A225-Q228 WeakPolarHBondContact O-CB 3.46Å; A225-Q228 WeakPolarHBondContact O-CG 3.35Å; A225-Q228 PolarHBondContact O-N 3.28Å; L226-Q228 PolarHBondContact O-N 3.08Å; L226-Q228 VanDerWaalsContact O-N 3.08Å |
| 229 | V | 92.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -82.7 | 134.8 | 178.7 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | L226 Y227 L231 L710 R712 | L226-V229 HydrophobicContact CD1-CB 4.47Å; L226-V229 HydrophobicContact CD1-CG2 4.4Å; L226-V229 PolarHBondContact O-N 3.4Å; L226-V229 VanDerWaalsContact O-N 3.08Å; Y227-V229 VanDerWaalsContact C-N 3.3Å; Y227-V229 PolarHBondContact O-N 3.44Å; V229-L231 PolarHBondContact O-N 2.93Å; V229-L710 HydrophobicContact CG1-CB 4.4Å; V229-R712 HydrophobicContact CB-CB 4.13Å; V229-R712 HydrophobicContact CB-CG 4.3Å; V229-R712 HydrophobicContact CG1-CB 4.1Å; V229-R712 WeakPolarHBondContact O-CD 3.2Å; V229-R712 WeakPolarHBondContact O-CG 3.4Å; V229-R712 PolarHBondContact O-NE 3.39Å |
| 230 | H | 93.1 | Very high | 91.7 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 128.5 | -178.9 | -64.8 | -53.6 | 0 | 0 | 0 | 112.4 | L711 R712 | H230-L711 HydrophobicContact CB-CD2 4.18Å; H230-L711 CarbonylContact O-C 3.35Å; H230-L711 VanDerWaalsContact O-CA 3.27Å; H230-L711 WeakPolarHBondContact O-CA 3.31Å; H230-R712 PolarHBondContact O-N 3.47Å |
| 231 | L | 94.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 134.4 | 177.8 | -174.5 | 64.9 | 0 | 0 | 0 | 111.3 | V229 R712 W750 P752 | V229-L231 PolarHBondContact O-N 2.93Å; L231-R712 HydrophobicContact CB-CG 4.34Å; L231-R712 HydrophobicContact CD1-CG 4.08Å; L231-W750 HydrophobicContact CD1-CZ2 4.19Å; L231-W750 HydrophobicContact CD2-CH2 4.1Å; L231-W750 HydrophobicContact CD2-CZ2 4.12Å; L231-P752 HydrophobicContact CD2-CB 3.76Å; L231-P752 HydrophobicContact CD2-CG 4.05Å |
| 232 | I | 94.7 | Very high | 92 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 136.1 | 175.4 | -169.8 | 169.5 | 0 | 0 | 0 | 110.9 | S234 F236 L237 F677 L703 L711 R712 L713 | I232-S234 PolarHBondContact O-N 2.98Å; I232-F236 HydrophobicContact CD1-CB 4.33Å; I232-F236 HydrophobicContact CD1-CD2 4.47Å; I232-F236 HydrophobicContact CG1-CB 4.45Å; I232-F236 HydrophobicContact CG1-CD2 3.97Å; I232-L237 HydrophobicContact CG2-CD1 4.24Å; I232-L237 HydrophobicContact CG2-CD2 4.3Å; I232-L237 HydrophobicContact CG2-CG 4.45Å; I232-F677 HydrophobicContact CD1-CD1 4.2Å; I232-F677 HydrophobicContact CD1-CE1 3.83Å; I232-F677 HydrophobicContact CD1-CE2 4.41Å; I232-F677 HydrophobicContact CD1-CZ 3.94Å; I232-L703 HydrophobicContact CD1-CD1 4.28Å; I232-L711 HydrophobicContact CG1-CD1 4.41Å; I232-R712 WeakPolarHBondContact CG2-O 3.44Å; I232-R712 PolarHBondContact N-O 3.4Å; I232-L713 HydrophobicContact CG2-CB 3.93Å; I232-L713 HydrophobicContact CG2-CD1 4.39Å; I232-L713 HydrophobicContact CG2-CG 4.09Å |
| 233 | N | 91.9 | Very high | 92 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 122.9 | -179.6 | -166.9 | -72.7 | 0 | 0 | 0 | 110.7 | K235 F236 | N233-K235 PolarHBondContact O-N 2.88Å; N233-K235 VanDerWaalsContact OD1-CB 3.32Å; N233-K235 WeakPolarHBondContact OD1-CB 3.35Å; N233-K235 WeakPolarHBondContact OD1-CG 3.35Å; N233-K235 PolarHBondContact OD1-N 3.31Å; N233-F236 HydrophobicContact CB-CD2 3.82Å; N233-F236 HydrophobicContact CB-CE2 3.83Å; N233-F236 WeakPolarHBondContact O-CB 3.31Å; N233-F236 WeakPolarHBondContact O-CD2 3.37Å; N233-F236 PolarHBondContact O-N 2.92Å |
| 234 | S | 89.4 | Confident | 92 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 46% | 0.462 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -56.6 | -21.3 | -174.3 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | I232 F236 L237 Q238 | I232-S234 PolarHBondContact O-N 2.98Å; S234-F236 PolarHBondContact O-N 3.22Å; S234-L237 PolarHBondContact O-N 3.1Å; S234-Q238 PolarHBondContact O-N 3.4Å |
| 235 | K | 91.2 | Very high | 92 | Very high | 154 Ų | 154 | 63.5 Ų | 63.5 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -62.6 | -25.6 | 172.8 | -64.6 | 173.8 | -177.4 | 173.6 | 0 | 113.5 | N233 L237 | N233-K235 PolarHBondContact O-N 2.88Å; N233-K235 VanDerWaalsContact OD1-CB 3.32Å; N233-K235 WeakPolarHBondContact OD1-CB 3.35Å; N233-K235 WeakPolarHBondContact OD1-CG 3.35Å; N233-K235 PolarHBondContact OD1-N 3.31Å; K235-L237 VanDerWaalsContact C-N 3.31Å |
| 236 | F | 92.5 | Very high | 92 | Very high | 52 Ų | 52 | 62.1 Ų | 62.1 | 23% | 0.228 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -72.6 | -26.3 | 172.8 | -63 | -61.2 | 0 | 0 | 0 | 112.4 | I232 N233 S234 H673 F677 | I232-F236 HydrophobicContact CD1-CB 4.33Å; I232-F236 HydrophobicContact CD1-CD2 4.47Å; I232-F236 HydrophobicContact CG1-CB 4.45Å; I232-F236 HydrophobicContact CG1-CD2 3.97Å; N233-F236 HydrophobicContact CB-CD2 3.82Å; N233-F236 HydrophobicContact CB-CE2 3.83Å; N233-F236 WeakPolarHBondContact O-CB 3.31Å; N233-F236 WeakPolarHBondContact O-CD2 3.37Å; N233-F236 PolarHBondContact O-N 2.92Å; S234-F236 PolarHBondContact O-N 3.22Å; F236-H673 AromaticContact CD1-CE1 3.78Å; F236-H673 PolarHBondContact O-NE2 3.1Å; F236-F677 HydrophobicContact CB-CE2 4.36Å; F236-F677 HydrophobicContact CB-CZ 4.32Å; F236-F677 HydrophobicContact CD1-CE2 4.27Å; F236-F677 HydrophobicContact CD1-CZ 4.04Å; F236-F677 AromaticContact CD2-CZ 3.98Å; F236-F677 HydrophobicContact CD2-CZ 3.98Å; F236-F677 HydrophobicContact CE1-CZ 4.37Å; F236-F677 HydrophobicContact CE2-CZ 4.3Å; F236-F677 HydrophobicContact CG-CE2 4.24Å; F236-F677 AromaticContact CG-CZ 3.85Å; F236-F677 HydrophobicContact CG-CZ 3.85Å; F236-F677 HydrophobicContact CZ-CZ 4.5Å |
| 237 | L | 91.4 | Very high | 91.9 | Very high | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -22.5 | -177.2 | -53.2 | -176.7 | 0 | 0 | 0 | 113.5 | I232 S234 K235 G239 I240 F665 L713 H715 | I232-L237 HydrophobicContact CG2-CD1 4.24Å; I232-L237 HydrophobicContact CG2-CD2 4.3Å; I232-L237 HydrophobicContact CG2-CG 4.45Å; S234-L237 PolarHBondContact O-N 3.1Å; K235-L237 VanDerWaalsContact C-N 3.31Å; L237-G239 PolarHBondContact O-N 2.82Å; L237-G239 VanDerWaalsContact O-N 3.16Å; L237-I240 HydrophobicContact CB-CD1 4.47Å; L237-I240 HydrophobicContact CD2-CD1 3.97Å; L237-I240 PolarHBondContact O-N 3.05Å; L237-F665 HydrophobicContact CD2-CZ 4.45Å; L237-L713 HydrophobicContact CD2-CD1 3.66Å; L237-L713 HydrophobicContact CD2-CG 4.29Å; L237-H715 HydrophobicContact CD1-CB 4.26Å |
| 238 | Q | 90.3 | Very high | 92 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 116.9 | -178.1 | -70.3 | 179.5 | -14.9 | 0 | 0 | 111.9 | S234 K672 | S234-Q238 PolarHBondContact O-N 3.4Å; Q238-K672 PolarHBondContact O-NZ 2.91Å |
| 239 | G | 88.7 | Confident | 91.9 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L237 K672 | L237-G239 PolarHBondContact O-N 2.82Å; L237-G239 VanDerWaalsContact O-N 3.16Å; G239-K672 VanDerWaalsContact C-NZ 3.31Å; G239-K672 PolarHBondContact O-NZ 2.83Å |
| 240 | I | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -72.8 | -47.1 | 162.3 | -67.7 | 173.4 | 0 | 0 | 0 | 109.7 | L237 F665 R668 L669 K672 | L237-I240 HydrophobicContact CB-CD1 4.47Å; L237-I240 HydrophobicContact CD2-CD1 3.97Å; L237-I240 PolarHBondContact O-N 3.05Å; I240-F665 HydrophobicContact CD1-CE2 4.22Å; I240-F665 HydrophobicContact CD1-CZ 3.83Å; I240-F665 HydrophobicContact CG2-CD2 4.39Å; I240-F665 HydrophobicContact CG2-CE2 4.03Å; I240-F665 HydrophobicContact CG2-CZ 4.5Å; I240-R668 HydrophobicContact CG2-CB 3.52Å; I240-L669 HydrophobicContact CD1-CB 4.17Å; I240-L669 HydrophobicContact CD1-CD1 3.36Å; I240-L669 HydrophobicContact CD1-CG 4.35Å; I240-L669 HydrophobicContact CG1-CD1 4.36Å; I240-K672 HydrophobicContact CG1-CD 4.46Å |
| 241 | L | 93.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -104.4 | 157.3 | 177.4 | -61.7 | -177.3 | 0 | 0 | 0 | 110.2 | F665 R668 I717 L742 N744 | L241-F665 HydrophobicContact CD1-CD2 4.11Å; L241-F665 HydrophobicContact CD1-CE2 4.48Å; L241-F665 HydrophobicContact CG-CD2 4.3Å; L241-R668 HydrophobicContact CD2-CB 4.4Å; L241-R668 HydrophobicContact CD2-CG 4.22Å; L241-I717 HydrophobicContact CD1-CB 4.05Å; L241-I717 HydrophobicContact CD1-CG2 3.68Å; L241-L742 HydrophobicContact CD1-CB 4.2Å; L241-L742 HydrophobicContact CD2-CB 3.96Å; L241-N744 HydrophobicContact CB-CB 4.28Å |
| 242 | P | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | trans | -64.9 | 146.4 | 167.6 | 29.3 | -35.8 | 0 | 0 | 0 | 110.7 | L742 C743 N744 | P242-L742 WeakPolarHBondContact CD-O 3.2Å; P242-L742 WeakPolarHBondContact CG-O 3.36Å; P242-C743 HydrophobicContact CG-CB 4.32Å; P242-C743 CarbonylContact O-C 3.51Å; P242-C743 WeakPolarHBondContact O-CA 2.84Å; P242-C743 WeakPolarHBondContact O-CB 3.49Å; P242-N744 PolarHBondContact O-N 2.7Å | ||
| 243 | D | 93.4 | Very high | 90.7 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.7 | 176.7 | -71.4 | -42.4 | 0 | 0 | 0 | 112.3 | N744 V746 | D243-N744 PolarHBondContact OD1-ND2 3.23Å; D243-V746 HydrophobicContact CB-CG2 3.64Å |
| 244 | C | 91.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.081 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.6 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | Y246 L720 C743 N744 V746 | C244-Y246 PolarHBondContact O-N 2.99Å; C244-L720 HydrophobicContact CB-CD1 3.73Å; C244-C743 HydrophobicContact CB-CB 3.56Å; C244-C743 WeakPolarHBondContact CB-SG 3.33Å; C244-C743 WeakPolarHBondContact SG-CB 3.5Å; C244-C743 CovalentContact SG-SG 2.03Å; C244-C743 PolarHBondContact SG-SG 3.02Å; C244-N744 PolarHBondContact N-O 2.59Å; C244-N744 PolarHBondContact SG-O 3.04Å; C244-N744 VanDerWaalsContact SG-O 3.37Å; C244-V746 PolarHBondContact O-N 3.1Å |
| 245 | T | 91.6 | Very high | 90 | Very high | 119 Ų | 119 | 68 Ų | 68 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.3 | 173 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 246 | Y | 92 | Very high | 89.8 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | trans | -88.7 | 118.7 | 171.9 | -168.1 | -102.9 | 0 | 0 | 0 | 110.7 | C244 P248 Y250 R696 Y718 P745 F748 Y868 E938 | C244-Y246 PolarHBondContact O-N 2.99Å; Y246-P248 HydrophobicContact CD1-CG 4.44Å; Y246-P248 HydrophobicContact CE1-CG 3.65Å; Y246-P248 HydrophobicContact CE2-CG 4.27Å; Y246-P248 WeakPolarHBondContact OH-CG 3.38Å; Y246-Y250 PolarHBondContact OH-OH 2.83Å; Y246-R696 HydrophobicContact CE2-CB 4.12Å; Y246-R696 HydrophobicContact CE2-CG 4.46Å; Y246-R696 VanDerWaalsContact OH-CD 3.26Å; Y246-R696 WeakPolarHBondContact OH-CD 3.36Å; Y246-R696 PolarHBondContact OH-NE 3.26Å; Y246-R696 VanDerWaalsContact OH-NE 3.07Å; Y246-Y718 HydrophobicContact CD2-CD2 4.03Å; Y246-Y718 HydrophobicContact CD2-CE2 4.21Å; Y246-Y718 HydrophobicContact CD2-CG 4.23Å; Y246-Y718 AromaticContact CE2-CD2 3.77Å; Y246-Y718 HydrophobicContact CE2-CD2 3.77Å; Y246-Y718 AromaticContact CE2-CE2 3.83Å; Y246-Y718 HydrophobicContact CE2-CE2 3.83Å; Y246-Y718 HydrophobicContact CE2-CG 4.41Å; Y246-P745 HydrophobicContact CD2-CB 3.76Å; Y246-P745 HydrophobicContact CG-CB 4.07Å; Y246-F748 HydrophobicContact CD1-CB 4.18Å; Y246-F748 AromaticContact CD1-CD2 3.41Å; Y246-F748 HydrophobicContact CD1-CD2 3.41Å; Y246-F748 VanDerWaalsContact CD1-CD2 3.41Å; Y246-F748 HydrophobicContact CD1-CE2 4.11Å; Y246-F748 HydrophobicContact CD1-CG 4.09Å; Y246-F748 AromaticContact CE1-CD2 3.28Å; Y246-F748 HydrophobicContact CE1-CD2 3.28Å; Y246-F748 AromaticContact CE1-CE2 3.48Å; Y246-F748 HydrophobicContact CE1-CE2 3.48Å; Y246-F748 VanDerWaalsContact CE1-CE2 3.48Å; Y246-F748 HydrophobicContact CE1-CG 4.18Å; Y246-F748 HydrophobicContact CG-CB 4.15Å; Y246-F748 HydrophobicContact CG-CD2 4.13Å; Y246-F748 HydrophobicContact CG-CG 4.38Å; Y246-F748 AromaticContact CZ-CD2 3.92Å; Y246-F748 AromaticContact CZ-CE2 3.92Å; Y246-Y868 AromaticContact CD1-CD1 3.9Å; Y246-Y868 HydrophobicContact CD1-CD1 3.9Å; Y246-Y868 HydrophobicContact CD1-CE1 4.15Å; Y246-Y868 HydrophobicContact CE1-CD1 4.47Å; Y246-E938 WeakPolarHBondContact CE1-OE1 3.5Å; Y246-E938 PolarHBondContact OH-OE1 3.17Å | ||
| 247 | N | 89.4 | Confident | 89.8 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | trans | -163.9 | 88 | -179.2 | -174.4 | -18.3 | 0 | 0 | 0 | 108.3 | R693 | N247-R693 VanDerWaalsContact CG-NH1 3.3Å; N247-R693 WeakPolarHBondContact O-CD 3.4Å; N247-R693 PolarHBondContact O-NH1 3.34Å; N247-R693 PolarHBondContact OD1-NH1 3.04Å | ||
| 248 | P | 91 | Very high | 89.8 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | trans | -68.4 | 167.4 | -179.4 | -17.3 | 31.1 | 0 | 0 | 0 | 113.1 | Y246 Y250 T251 D690 R693 | Y246-P248 HydrophobicContact CD1-CG 4.44Å; Y246-P248 HydrophobicContact CE1-CG 3.65Å; Y246-P248 HydrophobicContact CE2-CG 4.27Å; Y246-P248 WeakPolarHBondContact OH-CG 3.38Å; P248-Y250 HydrophobicContact CB-CD1 4.13Å; P248-Y250 HydrophobicContact CB-CD2 3.88Å; P248-Y250 HydrophobicContact CB-CE1 3.74Å; P248-Y250 HydrophobicContact CB-CE2 3.46Å; P248-Y250 VanDerWaalsContact CB-CE2 3.46Å; P248-Y250 HydrophobicContact CB-CG 4.17Å; P248-Y250 HydrophobicContact CG-CD2 4.49Å; P248-Y250 HydrophobicContact CG-CE2 3.72Å; P248-T251 HydrophobicContact CB-CG2 4.32Å; P248-T251 HydrophobicContact CG-CG2 4.03Å; P248-T251 PolarHBondContact O-OG1 3.08Å; P248-D690 WeakPolarHBondContact CA-OD2 3.42Å; P248-R693 PolarHBondContact O-NH1 2.82Å | ||
| 249 | T | 89.6 | Confident | 89.9 | Confident | 62 Ų | 62 | 69 Ų | 69 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -80.8 | -14.4 | 172 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | D690 Y692 R693 | T249-D690 PolarHBondContact N-OD2 2.87Å; T249-D690 PolarHBondContact OG1-OD2 2.91Å; T249-Y692 HydrophobicContact CG2-CD2 4.4Å; T249-Y692 HydrophobicContact CG2-CG 4.42Å; T249-R693 HydrophobicContact CG2-CB 4.49Å; T249-R693 HydrophobicContact CG2-CG 3.75Å |
| 250 | Y | 88.4 | Confident | 90 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -96.1 | 0.9 | -175 | 51.3 | -113.7 | 0 | 0 | 0 | 114.8 | Y246 P248 R688 V689 D690 E938 | Y246-Y250 PolarHBondContact OH-OH 2.83Å; P248-Y250 HydrophobicContact CB-CD1 4.13Å; P248-Y250 HydrophobicContact CB-CD2 3.88Å; P248-Y250 HydrophobicContact CB-CE1 3.74Å; P248-Y250 HydrophobicContact CB-CE2 3.46Å; P248-Y250 VanDerWaalsContact CB-CE2 3.46Å; P248-Y250 HydrophobicContact CB-CG 4.17Å; P248-Y250 HydrophobicContact CG-CD2 4.49Å; P248-Y250 HydrophobicContact CG-CE2 3.72Å; Y250-R688 HydrophobicContact CE1-CG 4.11Å; Y250-R688 VanDerWaalsContact OH-CG 3.26Å; Y250-R688 WeakPolarHBondContact OH-CG 3.38Å; Y250-V689 VanDerWaalsContact CE1-O 3.31Å; Y250-V689 WeakPolarHBondContact CE1-O 3.42Å; Y250-D690 HydrophobicContact CD1-CB 4.06Å; Y250-D690 HydrophobicContact CE1-CB 3.7Å; Y250-E938 HydrophobicContact CE2-CG 3.85Å |
| 251 | T | 89.7 | Confident | 90 | Very high | 40 Ų | 40 | 70.5 Ų | 70.5 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | trans | -81.2 | 125.5 | 178.8 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | P248 K253 E938 | P248-T251 HydrophobicContact CB-CG2 4.32Å; P248-T251 HydrophobicContact CG-CG2 4.03Å; P248-T251 PolarHBondContact O-OG1 3.08Å; T251-K253 PolarHBondContact O-N 3.13Å; T251-E938 HydrophobicContact CG2-CG 4.13Å | ||
| 252 | I | 87.4 | Confident | 89.8 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 11% | 0.113 | 36% | 0.357 | C | S | . | . | trans | -100.6 | 60.2 | -167 | -52.2 | -177.7 | 0 | 0 | 0 | 111 | Y255 L257 F265 L933 Q934 | I252-Y255 HydrophobicContact CG2-CD1 4Å; I252-Y255 HydrophobicContact CG2-CG 4.35Å; I252-L257 HydrophobicContact CG2-CD2 4.25Å; I252-F265 HydrophobicContact CD1-CB 3.46Å; I252-F265 VanDerWaalsContact CD1-CB 3.46Å; I252-F265 HydrophobicContact CD1-CD1 3.35Å; I252-F265 HydrophobicContact CD1-CD2 3.61Å; I252-F265 HydrophobicContact CD1-CE1 3.9Å; I252-F265 HydrophobicContact CD1-CE2 4.14Å; I252-F265 HydrophobicContact CD1-CG 3.17Å; I252-F265 HydrophobicContact CD1-CZ 4.26Å; I252-L933 CarbonylContact C-O 3.47Å; I252-Q934 WeakPolarHBondContact O-CA 3.26Å | ||
| 253 | K | 85.6 | Confident | 89.6 | Confident | 134 Ų | 134 | 67.5 Ų | 67.5 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 135.9 | -177.9 | -158.7 | -177.3 | 170.8 | 138.1 | 0 | 112.2 | T251 Y255 | T251-K253 PolarHBondContact O-N 3.13Å; K253-Y255 PolarHBondContact O-N 2.74Å; K253-Y255 VanDerWaalsContact O-N 3.14Å |
| 254 | D | 80.9 | Confident | 89.3 | Confident | 139 Ų | 139 | 67.8 Ų | 67.8 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 18.8 | 171 | -51.8 | -48.4 | 0 | 0 | 0 | 114.7 | Q934 | D254-Q934 PolarHBondContact N-O 2.86Š|
| 255 | Y | 85.9 | Confident | 89.2 | Confident | 135 Ų | 135 | 70.7 Ų | 70.7 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | trans | -111.5 | 121.6 | 178.3 | 178.9 | -88.7 | 0 | 0 | 0 | 111.1 | I252 K253 L257 Q934 | I252-Y255 HydrophobicContact CG2-CD1 4Å; I252-Y255 HydrophobicContact CG2-CG 4.35Å; K253-Y255 PolarHBondContact O-N 2.74Å; K253-Y255 VanDerWaalsContact O-N 3.14Å; Y255-L257 HydrophobicContact CD1-CD2 4.1Å; Y255-L257 HydrophobicContact CE1-CD2 4.22Å; Y255-L257 PolarHBondContact O-N 2.86Å; Y255-Q934 WeakPolarHBondContact O-CG 3.23Å | ||
| 256 | P | 86.6 | Confident | 89.1 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 121.2 | -175.9 | 29.1 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 257 | L | 91.9 | Very high | 88.9 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 148.1 | 171.7 | -62.6 | 177.3 | 0 | 0 | 0 | 110.8 | I252 Y255 Q261 F265 D930 L933 Q934 | I252-L257 HydrophobicContact CG2-CD2 4.25Å; Y255-L257 HydrophobicContact CD1-CD2 4.1Å; Y255-L257 HydrophobicContact CE1-CD2 4.22Å; Y255-L257 PolarHBondContact O-N 2.86Å; L257-Q261 HydrophobicContact CB-CB 4.34Å; L257-F265 HydrophobicContact CD2-CD2 3.98Å; L257-F265 HydrophobicContact CD2-CE2 3.52Å; L257-F265 HydrophobicContact CD2-CZ 4.34Å; L257-D930 HydrophobicContact CD1-CB 4.47Å; L257-L933 HydrophobicContact CD1-CB 4.06Å; L257-L933 HydrophobicContact CD1-CD1 4.39Å; L257-Q934 HydrophobicContact CB-CG 4.43Å; L257-Q934 HydrophobicContact CD1-CG 4.26Å; L257-Q934 HydrophobicContact CG-CG 4.08Å |
| 258 | L | 92.3 | Very high | 89 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 68% | 0.681 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 160.6 | 163.6 | -61.8 | 177.3 | 0 | 0 | 0 | 110.1 | Y260 Q261 | L258-Y260 PolarHBondContact O-N 3.02Å; L258-Q261 HydrophobicContact CB-CB 4.2Å; L258-Q261 WeakPolarHBondContact O-CB 3.32Å; L258-Q261 PolarHBondContact O-N 3.1Å |
| 259 | R | 91.2 | Very high | 89.1 | Confident | 131 Ų | 131 | 62 Ų | 62 | 49% | 0.494 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 124.5 | -179.9 | -172.8 | -173.3 | -169.9 | 107.6 | 4.6 | 111.7 | Q261 E916 | R259-Q261 PolarHBondContact O-N 2.92Å; R259-E916 IonicContact CZ-OE1 3.52Å; R259-E916 IonicContact NH1-OE1 3.58Å; R259-E916 PolarHBondContact NH1-OE1 3.32Å; R259-E916 IonicContact NH2-OE1 3.55Å; R259-E916 PolarHBondContact NH2-OE1 2.99Å |
| 260 | Y | 92.2 | Very high | 89.3 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13.2 | -178.7 | -43.5 | -32.1 | 0 | 0 | 0 | 114.7 | L258 G262 G923 W926 E927 D930 | L258-Y260 PolarHBondContact O-N 3.02Å; Y260-G262 PolarHBondContact O-N 2.79Å; Y260-G923 WeakPolarHBondContact CE1-O 3.46Å; Y260-W926 HydrophobicContact CD1-CB 3.38Å; Y260-W926 HydrophobicContact CD1-CE3 4.22Å; Y260-W926 HydrophobicContact CD1-CG 4.45Å; Y260-W926 AromaticContact CD2-CE3 3.6Å; Y260-W926 HydrophobicContact CD2-CE3 3.6Å; Y260-W926 HydrophobicContact CD2-CZ3 4.15Å; Y260-W926 HydrophobicContact CE1-CB 3.86Å; Y260-W926 HydrophobicContact CE2-CE3 4.03Å; Y260-W926 HydrophobicContact CG-CB 3.92Å; Y260-W926 HydrophobicContact CG-CD2 4.46Å; Y260-W926 AromaticContact CG-CE3 3.68Å; Y260-W926 HydrophobicContact CG-CE3 3.68Å; Y260-E927 HydrophobicContact CE1-CB 4.4Å; Y260-D930 WeakPolarHBondContact CA-OD2 3.14Å; Y260-D930 PolarHBondContact N-OD2 2.88Å |
| 261 | Q | 91.8 | Very high | 89.7 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -70.7 | -22 | 179 | -162.9 | -172.3 | -2.8 | 0 | 0 | 111.8 | L257 L258 R259 L263 Q264 F265 D930 | L257-Q261 HydrophobicContact CB-CB 4.34Å; L258-Q261 HydrophobicContact CB-CB 4.2Å; L258-Q261 WeakPolarHBondContact O-CB 3.32Å; L258-Q261 PolarHBondContact O-N 3.1Å; R259-Q261 PolarHBondContact O-N 2.92Å; Q261-L263 PolarHBondContact O-N 2.85Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; Q261-Q264 WeakPolarHBondContact O-CB 3.42Å; Q261-Q264 PolarHBondContact O-N 2.57Å; Q261-F265 HydrophobicContact CG-CE2 4.01Å; Q261-F265 WeakPolarHBondContact O-CD2 3.3Å; Q261-D930 PolarHBondContact N-OD1 2.86Å |
| 262 | G | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -52.7 | -31.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y260 Q264 F265 V266 D930 L933 | Y260-G262 PolarHBondContact O-N 2.79Å; G262-Q264 PolarHBondContact O-N 3.34Å; G262-Q264 VanDerWaalsContact O-N 3.15Å; G262-F265 PolarHBondContact O-N 3.44Å; G262-V266 PolarHBondContact O-N 2.92Å; G262-D930 WeakPolarHBondContact CA-OD1 3.31Å; G262-D930 PolarHBondContact N-OD1 2.9Å; G262-L933 VanDerWaalsContact CA-CD1 3.42Å; G262-L933 WeakPolarHBondContact O-CD1 3.26Å |
| 263 | L | 89.2 | Confident | 90.3 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -53 | -34.3 | 173.3 | -65.4 | 174.3 | 0 | 0 | 0 | 112.9 | Q261 F265 F896 W926 L929 | Q261-L263 PolarHBondContact O-N 2.85Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; L263-F265 PolarHBondContact O-N 2.9Å; L263-F896 HydrophobicContact CD2-CD2 4Å; L263-F896 HydrophobicContact CD2-CE2 3.41Å; L263-F896 VanDerWaalsContact CD2-CE2 3.41Å; L263-F896 HydrophobicContact CD2-CZ 4.03Å; L263-W926 HydrophobicContact CD1-CD2 3.79Å; L263-W926 HydrophobicContact CD1-CE3 3.9Å; L263-W926 HydrophobicContact CD1-CG 4.33Å; L263-W926 HydrophobicContact CD1-CH2 4.19Å; L263-W926 HydrophobicContact CD1-CZ2 4.1Å; L263-W926 HydrophobicContact CD1-CZ3 4.1Å; L263-W926 HydrophobicContact CD2-CD2 4.39Å; L263-W926 HydrophobicContact CD2-CG 4.27Å; L263-W926 HydrophobicContact CG-CD2 4.45Å; L263-L929 HydrophobicContact CD2-CD2 3.83Å; L263-L929 HydrophobicContact CG-CD2 4.31Å |
| 264 | Q | 87.8 | Confident | 90.6 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -75.8 | -7.3 | -179.4 | -57.9 | -179.4 | -10.4 | 0 | 0 | 113.4 | Q261 G262 W640 | Q261-Q264 WeakPolarHBondContact O-CB 3.42Å; Q261-Q264 PolarHBondContact O-N 2.57Å; G262-Q264 PolarHBondContact O-N 3.34Å; G262-Q264 VanDerWaalsContact O-N 3.15Å; Q264-W640 WeakPolarHBondContact O-CZ3 3.34Å |
| 265 | F | 89.1 | Confident | 91.1 | Very high | 73 Ų | 73 | 52 Ų | 52 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -114.8 | -6 | -175.7 | -64.4 | -72.2 | 0 | 0 | 0 | 113.7 | I252 L257 Q261 G262 L263 Q267 L933 | I252-F265 HydrophobicContact CD1-CB 3.46Å; I252-F265 VanDerWaalsContact CD1-CB 3.46Å; I252-F265 HydrophobicContact CD1-CD1 3.35Å; I252-F265 HydrophobicContact CD1-CD2 3.61Å; I252-F265 HydrophobicContact CD1-CE1 3.9Å; I252-F265 HydrophobicContact CD1-CE2 4.14Å; I252-F265 HydrophobicContact CD1-CG 3.17Å; I252-F265 HydrophobicContact CD1-CZ 4.26Å; L257-F265 HydrophobicContact CD2-CD2 3.98Å; L257-F265 HydrophobicContact CD2-CE2 3.52Å; L257-F265 HydrophobicContact CD2-CZ 4.34Å; Q261-F265 HydrophobicContact CG-CE2 4.01Å; Q261-F265 WeakPolarHBondContact O-CD2 3.3Å; G262-F265 PolarHBondContact O-N 3.44Å; L263-F265 PolarHBondContact O-N 2.9Å; F265-Q267 PolarHBondContact O-N 2.76Å; F265-L933 HydrophobicContact CB-CD1 4.3Å |
| 266 | V | 88.4 | Confident | 91.4 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | trans | -85.4 | 109.8 | 175.8 | -168 | 0 | 0 | 0 | 0 | 110 | G262 I641 F896 L929 L933 V939 R941 | G262-V266 PolarHBondContact O-N 2.92Å; V266-I641 HydrophobicContact CB-CD1 3.97Å; V266-I641 HydrophobicContact CG1-CD1 3.72Å; V266-I641 WeakPolarHBondContact O-CD1 3.45Å; V266-I641 VanDerWaalsContact O-CG1 3.31Å; V266-I641 WeakPolarHBondContact O-CG1 3.46Å; V266-F896 HydrophobicContact CB-CZ 4.45Å; V266-F896 HydrophobicContact CG1-CE1 4.45Å; V266-F896 HydrophobicContact CG2-CE1 4.01Å; V266-F896 HydrophobicContact CG2-CZ 4.12Å; V266-L929 HydrophobicContact CG2-CD1 3.77Å; V266-L929 HydrophobicContact CG2-CD2 4.06Å; V266-L929 HydrophobicContact CG2-CG 4.43Å; V266-L933 HydrophobicContact CG2-CD1 4.32Å; V266-V939 HydrophobicContact CG1-CB 4.38Å; V266-V939 HydrophobicContact CG1-CG1 4.43Å; V266-R941 HydrophobicContact CG1-CG 3.92Å | ||
| 267 | Q | 88 | Confident | 91.7 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 160.7 | 169.8 | -66.3 | 170.8 | -29.9 | 0 | 0 | 110.8 | F265 D639 R688 | F265-Q267 PolarHBondContact O-N 2.76Å; Q267-D639 CarbonylContact C-O 3.56Å; Q267-D639 WeakPolarHBondContact CA-O 3.43Å; Q267-R688 VanDerWaalsContact O-CZ 3.28Å; Q267-R688 PolarHBondContact O-NH1 2.93Å; Q267-R688 PolarHBondContact O-NH2 2.95Å |
| 268 | L | 91.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -87.5 | 166.5 | 168.8 | -65.5 | 175.3 | 0 | 0 | 0 | 111.1 | D639 I641 L651 I874 R941 Y943 | L268-D639 PolarHBondContact N-O 3.06Å; L268-I641 HydrophobicContact CD1-CG1 4.36Å; L268-I641 HydrophobicContact CD2-CD1 3.95Å; L268-I641 HydrophobicContact CD2-CG1 3.76Å; L268-I641 HydrophobicContact CG-CD1 4.37Å; L268-I641 HydrophobicContact CG-CG1 3.68Å; L268-L651 HydrophobicContact CB-CD1 3.68Å; L268-L651 HydrophobicContact CB-CG 4.39Å; L268-L651 HydrophobicContact CD1-CD1 4.15Å; L268-L651 HydrophobicContact CD1-CG 4.3Å; L268-I874 HydrophobicContact CD2-CD1 4.18Å; L268-R941 HydrophobicContact CD2-CB 4.18Å; L268-Y943 HydrophobicContact CD1-CE2 4.21Å; L268-Y943 HydrophobicContact CD2-CE2 4.1Å | ||
| 269 | S | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -115.5 | 147 | 175.1 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | R688 E940 | S269-R688 PolarHBondContact OG-NH1 3.25Å; S269-R688 VanDerWaalsContact OG-NH1 3.14Å; S269-E940 WeakPolarHBondContact CB-OE1 3.49Å; S269-E940 PolarHBondContact OG-OE1 2.82Å | ||
| 270 | Y | 94.6 | Very high | 90.8 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 21% | 0.212 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.9 | -178 | -65.4 | -101.4 | 0 | 0 | 0 | 111 | D639 L651 V686 K687 V689 | Y270-D639 HydrophobicContact CE2-CB 3.96Å; Y270-L651 CarbonylContact C-O 3.45Å; Y270-L651 WeakPolarHBondContact CA-O 3.39Å; Y270-L651 HydrophobicContact CD1-CB 3.57Å; Y270-L651 HydrophobicContact CD1-CD1 4.41Å; Y270-L651 HydrophobicContact CE1-CB 3.89Å; Y270-L651 HydrophobicContact CE1-CD1 4.11Å; Y270-L651 HydrophobicContact CE2-CD1 4.3Å; Y270-L651 HydrophobicContact CG-CB 4.05Å; Y270-V686 CarbonylContact O-C 3.03Å; Y270-V686 WeakPolarHBondContact O-CA 3.16Å; Y270-K687 PolarHBondContact N-O 3.44Å; Y270-K687 PolarHBondContact O-N 3.2Å; Y270-V689 HydrophobicContact CD2-CG2 3.74Å; Y270-V689 HydrophobicContact CE2-CG2 3.62Å |
| 271 | I | 95.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.6 | -172.9 | -66.7 | -164.9 | 0 | 0 | 0 | 111.7 | D275 N650 L651 L653 V685 V686 I942 | I271-D275 HydrophobicContact CG2-CB 4.42Å; I271-N650 HydrophobicContact CB-CB 4.35Å; I271-N650 HydrophobicContact CD1-CB 3.91Å; I271-N650 HydrophobicContact CG1-CB 4.19Å; I271-L651 PolarHBondContact N-O 2.8Å; I271-L653 PolarHBondContact O-N 3.14Å; I271-V685 WeakPolarHBondContact CA-O 3.12Å; I271-V686 HydrophobicContact CD1-CG2 4.38Å; I271-V686 HydrophobicContact CG1-CG1 4.46Å; I271-V686 HydrophobicContact CG1-CG2 4.27Å; I271-I942 HydrophobicContact CD1-CG2 3.89Å |
| 272 | Y | 95.5 | Very high | 90 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139.5 | 169 | 168.2 | -87.6 | 0 | 0 | 0 | 111.3 | P655 A658 L659 V682 N684 V685 | Y272-P655 HydrophobicContact CD2-CB 4.3Å; Y272-P655 HydrophobicContact CD2-CG 4.13Å; Y272-P655 HydrophobicContact CE2-CB 3.7Å; Y272-P655 HydrophobicContact CE2-CG 3.76Å; Y272-A658 HydrophobicContact CD1-CB 3.38Å; Y272-A658 HydrophobicContact CD2-CB 4.31Å; Y272-A658 HydrophobicContact CE1-CB 4.01Å; Y272-A658 HydrophobicContact CG-CB 3.56Å; Y272-L659 HydrophobicContact CE1-CD2 4.07Å; Y272-L659 HydrophobicContact CE1-CG 4.33Å; Y272-V682 HydrophobicContact CD1-CG1 4.08Å; Y272-V682 HydrophobicContact CE1-CB 4.29Å; Y272-V682 HydrophobicContact CE1-CG1 3.96Å; Y272-N684 CarbonylContact O-C 3.57Å; Y272-N684 WeakPolarHBondContact O-CA 3.37Å; Y272-V685 HydrophobicContact CD1-CB 4.49Å; Y272-V685 HydrophobicContact CD1-CG2 4.28Å; Y272-V685 PolarHBondContact N-O 3.09Å; Y272-V685 PolarHBondContact O-N 3.17Å |
| 273 | P | 94.7 | Very high | 89.3 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 26% | 0.26 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -70.6 | 170 | -9 | 32.3 | -36.7 | 0 | 0 | 0 | 112 | R223 D275 L683 | R223-P273 PolarHBondContact NH1-O 3.16Å; P273-D275 PolarHBondContact O-N 2.75Å; P273-L683 WeakPolarHBondContact CD-O 3.32Å |
| 274 | N | 92.6 | Very high | 88.1 | Confident | 70 Ų | 70 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -47 | 133.5 | 174.1 | -175.3 | -15.9 | 0 | 0 | 0 | 111.1 | R223 Y276 L652 | R223-N274 PolarHBondContact NH2-O 3.35Å; N274-Y276 PolarHBondContact OD1-N 2.82Å; N274-L652 HydrophobicContact CB-CD1 4.34Å; N274-L652 HydrophobicContact CB-CD2 3.8Å | ||
| 275 | D | 92 | Very high | 86.5 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | trans | -103.2 | 1.7 | -173.6 | 62.6 | 14.8 | 0 | 0 | 0 | 114.1 | I271 P273 T277 N650 R945 | I271-D275 HydrophobicContact CG2-CB 4.42Å; P273-D275 PolarHBondContact O-N 2.75Å; D275-T277 HydrophobicContact CB-CG2 4.37Å; D275-T277 PolarHBondContact O-N 2.95Å; D275-T277 WeakPolarHBondContact OD1-CB 3.27Å; D275-T277 WeakPolarHBondContact OD1-CG2 3.41Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 3.03Å; D275-T277 PolarHBondContact OD2-OG1 2.88Å; D275-N650 WeakPolarHBondContact OD2-CB 3.34Å; D275-N650 PolarHBondContact OD2-ND2 3.1Å; D275-R945 WeakPolarHBondContact O-CD 3.44Å; D275-R945 PolarHBondContact O-NE 3.29Å; D275-R945 PolarHBondContact O-NH1 2.97Å | ||
| 276 | Y | 91.9 | Very high | 84.9 | Confident | 72 Ų | 72 | 45 Ų | 45 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 64.3 | 19.9 | 179.9 | -51.7 | -62 | 0 | 0 | 0 | 114.9 | M217 N274 R278 | M217-Y276 WeakPolarHBondContact CA-O 3.18Å; M217-Y276 VanDerWaalsContact CB-O 3.31Å; M217-Y276 WeakPolarHBondContact CB-O 3.35Å; M217-Y276 PolarHBondContact N-O 2.96Å; N274-Y276 PolarHBondContact OD1-N 2.82Å; Y276-R278 VanDerWaalsContact C-N 3.3Å; Y276-R278 PolarHBondContact O-N 3.31Å |
| 277 | T | 92.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | trans | -76.5 | -9.4 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | D275 L279 G649 N650 W891 R945 | D275-T277 HydrophobicContact CB-CG2 4.37Å; D275-T277 PolarHBondContact O-N 2.95Å; D275-T277 WeakPolarHBondContact OD1-CB 3.27Å; D275-T277 WeakPolarHBondContact OD1-CG2 3.41Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 3.03Å; D275-T277 PolarHBondContact OD2-OG1 2.88Å; T277-L279 PolarHBondContact O-N 3.24Å; T277-G649 WeakPolarHBondContact O-CA 3.42Å; T277-G649 WeakPolarHBondContact OG1-CA 3.44Å; T277-N650 PolarHBondContact OG1-N 2.79Å; T277-W891 HydrophobicContact CG2-CH2 4.45Å; T277-W891 HydrophobicContact CG2-CZ2 4.32Å; T277-W891 VanDerWaalsContact O-CE2 3.29Å; T277-W891 WeakPolarHBondContact O-CZ2 3.39Å; T277-W891 PolarHBondContact O-NE1 3.29Å; T277-R945 HydrophobicContact CG2-CG 3.74Å | ||
| 278 | R | 88.8 | Confident | 82.3 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.1 | 125.6 | 171.3 | -175.8 | -178.1 | 177.9 | 171.7 | -4.3 | 109.7 | Y276 T280 E283 | Y276-R278 VanDerWaalsContact C-N 3.3Å; Y276-R278 PolarHBondContact O-N 3.31Å; R278-T280 HydrophobicContact CB-CG2 4.42Å; R278-T280 HydrophobicContact CG-CG2 4.03Å; R278-T280 PolarHBondContact O-N 2.9Å; R278-E283 IonicContact CZ-OE1 2.65Å; R278-E283 IonicContact CZ-OE2 3.44Å; R278-E283 IonicContact NE-OE1 2.72Å; R278-E283 PolarHBondContact NE-OE1 3.42Å; R278-E283 IonicContact NE-OE2 2.76Å; R278-E283 PolarHBondContact NE-OE2 3.1Å; R278-E283 VanDerWaalsContact NH2-CD 3.34Å; R278-E283 IonicContact NH2-OE1 2.63Å; R278-E283 PolarHBondContact NH2-OE1 2.8Å; R278-E283 VanDerWaalsContact NH2-OE1 3.17Å; R278-E283 IonicContact NH2-OE2 3.77Å; R278-E283 PolarHBondContact NH2-OE2 3.15Å |
| 279 | L | 87.6 | Confident | 81 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | trans | -82.2 | 62.6 | -178.6 | -50.6 | 178.3 | 0 | 0 | 0 | 110.7 | M217 T277 H281 M282 E283 V647 L876 W891 | M217-L279 HydrophobicContact SD-CD2 4.09Å; T277-L279 PolarHBondContact O-N 3.24Å; L279-H281 PolarHBondContact O-N 3.44Å; L279-H281 VanDerWaalsContact O-N 3.08Å; L279-M282 HydrophobicContact CB-CB 4Å; L279-M282 HydrophobicContact CB-CG 4.06Å; L279-M282 WeakPolarHBondContact O-CA 3.3Å; L279-M282 PolarHBondContact O-N 2.9Å; L279-E283 PolarHBondContact O-N 3.38Å; L279-V647 HydrophobicContact CB-CB 4.17Å; L279-V647 HydrophobicContact CB-CG1 4.37Å; L279-V647 HydrophobicContact CD1-CB 4.49Å; L279-V647 HydrophobicContact CD1-CG1 4.29Å; L279-V647 PolarHBondContact N-O 2.88Å; L279-L876 HydrophobicContact CD1-CD1 3.4Å; L279-L876 HydrophobicContact CD2-CD1 3.9Å; L279-L876 HydrophobicContact CG-CD1 4.26Å; L279-W891 HydrophobicContact CD1-CG 4.36Å; L279-W891 HydrophobicContact CD2-CZ2 4.01Å | ||
| 280 | T | 80.6 | Confident | 79.4 | Confident | 62 Ų | 62 | 50 Ų | 50 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -52.5 | -30 | -177.1 | 48 | 0 | 0 | 0 | 0 | 113.7 | D216 R278 M282 | D216-T280 PolarHBondContact OD2-OG1 2.95Å; R278-T280 HydrophobicContact CB-CG2 4.42Å; R278-T280 HydrophobicContact CG-CG2 4.03Å; R278-T280 PolarHBondContact O-N 2.9Å; T280-M282 VanDerWaalsContact C-N 3.34Å |
| 281 | H | 83.6 | Confident | 77.3 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -78.5 | -9.9 | 176.3 | 65 | -58.7 | 0 | 0 | 0 | 114.8 | L279 A887 | L279-H281 PolarHBondContact O-N 3.44Å; L279-H281 VanDerWaalsContact O-N 3.08Å; H281-A887 PolarHBondContact NE2-O 2.92Å |
| 282 | M | 83.2 | Confident | 75.2 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -109.9 | 0.4 | 179.5 | -59.4 | -61.7 | -61.1 | 0 | 0 | 113.1 | L279 T280 G284 V647 R888 | L279-M282 HydrophobicContact CB-CB 4Å; L279-M282 HydrophobicContact CB-CG 4.06Å; L279-M282 WeakPolarHBondContact O-CA 3.3Å; L279-M282 PolarHBondContact O-N 2.9Å; T280-M282 VanDerWaalsContact C-N 3.34Å; M282-G284 VanDerWaalsContact C-N 3.34Å; M282-G284 PolarHBondContact O-N 2.94Å; M282-V647 HydrophobicContact CB-CG1 4.12Å; M282-R888 HydrophobicContact CE-CB 4.29Å; M282-R888 HydrophobicContact SD-CB 3.79Å; M282-R888 HydrophobicContact SD-CG 3.83Å |
| 283 | E | 74.2 | Confident | 73.3 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | trans | -79.1 | 77 | -177.4 | -66.2 | -170.6 | 158.9 | 0 | 0 | 112.4 | R278 L279 F289 V647 | R278-E283 IonicContact CZ-OE1 2.65Å; R278-E283 IonicContact CZ-OE2 3.44Å; R278-E283 IonicContact NE-OE1 2.72Å; R278-E283 PolarHBondContact NE-OE1 3.42Å; R278-E283 IonicContact NE-OE2 2.76Å; R278-E283 PolarHBondContact NE-OE2 3.1Å; R278-E283 VanDerWaalsContact NH2-CD 3.34Å; R278-E283 IonicContact NH2-OE1 2.63Å; R278-E283 PolarHBondContact NH2-OE1 2.8Å; R278-E283 VanDerWaalsContact NH2-OE1 3.17Å; R278-E283 IonicContact NH2-OE2 3.77Å; R278-E283 PolarHBondContact NH2-OE2 3.15Å; L279-E283 PolarHBondContact O-N 3.38Å; E283-F289 WeakPolarHBondContact OE1-CE2 3.11Å; E283-V647 HydrophobicContact CG-CB 4.48Å; E283-V647 HydrophobicContact CG-CG2 4.12Å | ||
| 284 | G | 64.6 | Low | 71.5 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -75.7 | -76.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M282 | M282-G284 VanDerWaalsContact C-N 3.34Å; M282-G284 PolarHBondContact O-N 2.94Å |
| 285 | E | 53.9 | Low | 69.9 | Low | 179 Ų | 179 | 68.1 Ų | 68.1 | 84% | 0.836 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -122.2 | 4.4 | -177 | -59 | -167 | 171.1 | 0 | 0 | 114.1 | T287 | E285-T287 VanDerWaalsContact O-CG2 3.3Å; E285-T287 WeakPolarHBondContact O-CG2 3.49Å; E285-T287 PolarHBondContact O-N 3.04Å |
| 286 | N | 55 | Low | 68.3 | Low | 67 Ų | 67 | 72.5 Ų | 72.5 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | trans | -69.6 | 104 | -177.1 | -85.6 | -6.7 | 0 | 0 | 0 | 111.6 | N646 V647 | N286-N646 PolarHBondContact ND2-OD1 3.48Å; N286-V647 HydrophobicContact CB-CG2 3.56Å; N286-V647 VanDerWaalsContact ND2-CG1 3.31Å; N286-V647 WeakPolarHBondContact ND2-CG1 3.42Å; N286-V647 WeakPolarHBondContact ND2-CG2 3.35Å | ||
| 287 | T | 57.1 | Low | 66.6 | Low | 59 Ų | 59 | 71.3 Ų | 71.3 | 36% | 0.362 | 38% | 0.376 | S | S | . | . | trans | -111.1 | 31.9 | -165.6 | 50 | 0 | 0 | 0 | 0 | 114.6 | E285 F289 Y290 K297 | E285-T287 VanDerWaalsContact O-CG2 3.3Å; E285-T287 WeakPolarHBondContact O-CG2 3.49Å; E285-T287 PolarHBondContact O-N 3.04Å; T287-F289 PolarHBondContact O-N 3.14Å; T287-F289 VanDerWaalsContact O-N 3.1Å; T287-Y290 HydrophobicContact CG2-CD2 4.08Å; T287-Y290 PolarHBondContact O-N 2.72Å; T287-Y290 VanDerWaalsContact O-O 3.1Å; T287-K297 VanDerWaalsContact CB-NZ 3.25Å; T287-K297 HydrophobicContact CG2-CD 4.18Å; T287-K297 PolarHBondContact O-NZ 3.45Å; T287-K297 PolarHBondContact OG1-NZ 3.43Å | ||
| 288 | C | 66.3 | Low | 64.9 | Low | 34 Ų | 34 | 80.2 Ų | 80.2 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.5 | 178.4 | 25.3 | 0 | 0 | 0 | 0 | 114.9 | Y290 C645 | C288-Y290 VanDerWaalsContact C-N 3.29Å; C288-C645 HydrophobicContact CB-CB 3.56Å; C288-C645 WeakPolarHBondContact CB-SG 3.16Å; C288-C645 WeakPolarHBondContact SG-CB 3.4Å; C288-C645 CovalentContact SG-SG 2.03Å; C288-C645 PolarHBondContact SG-SG 3.32Å |
| 289 | F | 64.4 | Low | 63.3 | Low | 9 Ų | 9 | 81.5 Ų | 81.5 | 4% | 0.039 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3 | 171.3 | -54.5 | -67.1 | 0 | 0 | 0 | 114.3 | E283 T287 L633 Q634 R637 | E283-F289 WeakPolarHBondContact OE1-CE2 3.11Å; T287-F289 PolarHBondContact O-N 3.14Å; T287-F289 VanDerWaalsContact O-N 3.1Å; F289-L633 HydrophobicContact CB-CB 3.97Å; F289-L633 HydrophobicContact CB-CD2 4.07Å; F289-L633 HydrophobicContact CB-CG 4.4Å; F289-L633 HydrophobicContact CD1-CB 4.12Å; F289-L633 VanDerWaalsContact CD1-O 3.24Å; F289-L633 WeakPolarHBondContact CD1-O 3.42Å; F289-L633 HydrophobicContact CG-CB 3.95Å; F289-Q634 HydrophobicContact CE1-CG 4.49Å; F289-R637 HydrophobicContact CD1-CB 4.44Å; F289-R637 HydrophobicContact CE1-CB 4.49Å |
| 290 | Y | 58.5 | Low | 61.7 | Low | 45 Ų | 45 | 86.7 Ų | 86.7 | 18% | 0.176 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -128 | 135.2 | -173.7 | -56.2 | -89.4 | 0 | 0 | 0 | 110.6 | T287 C288 K297 F302 L633 | T287-Y290 HydrophobicContact CG2-CD2 4.08Å; T287-Y290 PolarHBondContact O-N 2.72Å; T287-Y290 VanDerWaalsContact O-O 3.1Å; C288-Y290 VanDerWaalsContact C-N 3.29Å; Y290-K297 WeakPolarHBondContact O-CE 3.25Å; Y290-K297 PolarHBondContact O-NZ 2.86Å; Y290-F302 HydrophobicContact CE1-CE1 4.4Å; Y290-F302 WeakPolarHBondContact OH-CE1 3.2Å; Y290-F302 WeakPolarHBondContact OH-CZ 3.46Å; Y290-L633 HydrophobicContact CE1-CD2 4.16Å |
| 291 | P | 51.4 | Low | 60.7 | Low | 89 Ų | 89 | 84.7 Ų | 84.7 | 58% | 0.578 | 44% | 0.436 | S | S | * | . | trans | -53.7 | 144.2 | -178.5 | -27.9 | 35.5 | 0 | 0 | 0 | 114.3 | S293 K297 | P291-S293 VanDerWaalsContact C-N 3.26Å; P291-S293 PolarHBondContact O-N 3.09Å; P291-K297 WeakPolarHBondContact O-CE 3.48Å | ||
| 292 | E | 50.3 | Low | 59.6 | Low | 194 Ų | 194 | 87.2 Ų | 87.2 | 91% | 0.907 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -52 | -27.8 | -158 | -61.8 | 173.1 | 132.7 | 0 | 0 | 117 | S294 | E292-S294 PolarHBondContact O-N 2.62Š|
| 293 | S | 56.9 | Low | 58.5 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | trans | -65.5 | 101.9 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | P291 Y295 Y296 K297 | P291-S293 VanDerWaalsContact C-N 3.26Å; P291-S293 PolarHBondContact O-N 3.09Å; S293-Y295 PolarHBondContact O-N 3.35Å; S293-Y296 WeakPolarHBondContact O-CA 3.32Å; S293-Y296 WeakPolarHBondContact O-CB 3.41Å; S293-Y296 PolarHBondContact O-N 2.85Å; S293-Y296 PolarHBondContact OG-N 3.09Å; S293-Y296 VanDerWaalsContact OG-N 3.12Å; S293-K297 WeakPolarHBondContact O-CG 3.33Å; S293-K297 PolarHBondContact O-N 2.66Å | ||
| 294 | S | 55.9 | Low | 57.9 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.6 | -33.3 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | E292 K297 K298 | E292-S294 PolarHBondContact O-N 2.62Å; S294-K297 PolarHBondContact O-N 3.41Å; S294-K298 WeakPolarHBondContact O-CB 3.26Å; S294-K298 WeakPolarHBondContact O-CG 3.26Å; S294-K298 PolarHBondContact O-N 2.83Å |
| 295 | Y | 59.2 | Low | 57.9 | Low | 171 Ų | 171 | 94.6 Ų | 94.6 | 67% | 0.671 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 170.3 | -177 | -101.4 | 0 | 0 | 0 | 111.7 | S293 K297 K298 I299 | S293-Y295 PolarHBondContact O-N 3.35Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.08Å; Y295-K298 PolarHBondContact O-N 2.94Å; Y295-I299 HydrophobicContact CD1-CD1 3.9Å; Y295-I299 HydrophobicContact CD2-CD1 4.02Å; Y295-I299 HydrophobicContact CE1-CD1 3.5Å; Y295-I299 HydrophobicContact CE2-CD1 3.63Å; Y295-I299 HydrophobicContact CG-CD1 4.14Å; Y295-I299 WeakPolarHBondContact O-CG1 3.23Å; Y295-I299 PolarHBondContact O-N 3.38Å |
| 296 | Y | 59.3 | Low | 58.5 | Low | 100 Ų | 100 | 89 Ų | 89 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 175.6 | -161.1 | -85.1 | 0 | 0 | 0 | 112.4 | S293 Y300 | S293-Y296 WeakPolarHBondContact O-CA 3.32Å; S293-Y296 WeakPolarHBondContact O-CB 3.41Å; S293-Y296 PolarHBondContact O-N 2.85Å; S293-Y296 PolarHBondContact OG-N 3.09Å; S293-Y296 VanDerWaalsContact OG-N 3.12Å; Y296-Y300 HydrophobicContact CD1-CD2 4.11Å; Y296-Y300 AromaticContact CD2-CD2 3.56Å; Y296-Y300 HydrophobicContact CD2-CD2 3.56Å; Y296-Y300 AromaticContact CD2-CE2 3.98Å; Y296-Y300 HydrophobicContact CD2-CE2 3.98Å; Y296-Y300 HydrophobicContact CE1-CD2 4.07Å; Y296-Y300 HydrophobicContact CE1-CG 4.3Å; Y296-Y300 AromaticContact CE2-CD2 3.5Å; Y296-Y300 HydrophobicContact CE2-CD2 3.5Å; Y296-Y300 AromaticContact CE2-CE2 3.87Å; Y296-Y300 HydrophobicContact CE2-CE2 3.87Å; Y296-Y300 HydrophobicContact CE2-CG 4.34Å; Y296-Y300 AromaticContact CG-CD2 3.87Å; Y296-Y300 HydrophobicContact CG-CD2 3.87Å; Y296-Y300 AromaticContact CZ-CD2 3.77Å; Y296-Y300 WeakPolarHBondContact O-CA 3.37Å; Y296-Y300 WeakPolarHBondContact O-CB 3.44Å; Y296-Y300 PolarHBondContact O-N 2.85Å |
| 297 | K | 56.2 | Low | 59.1 | Low | 46 Ų | 46 | 94 Ų | 94 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 172.6 | -62.1 | 179.1 | -155.2 | -169.9 | 0 | 111.3 | T287 Y290 P291 S293 S294 Y295 I299 G301 | T287-K297 VanDerWaalsContact CB-NZ 3.25Å; T287-K297 HydrophobicContact CG2-CD 4.18Å; T287-K297 PolarHBondContact O-NZ 3.45Å; T287-K297 PolarHBondContact OG1-NZ 3.43Å; Y290-K297 WeakPolarHBondContact O-CE 3.25Å; Y290-K297 PolarHBondContact O-NZ 2.86Å; P291-K297 WeakPolarHBondContact O-CE 3.48Å; S293-K297 WeakPolarHBondContact O-CG 3.33Å; S293-K297 PolarHBondContact O-N 2.66Å; S294-K297 PolarHBondContact O-N 3.41Å; Y295-K297 VanDerWaalsContact C-N 3.34Å; Y295-K297 PolarHBondContact O-N 3.08Å; K297-I299 PolarHBondContact O-N 3.07Å; K297-G301 WeakPolarHBondContact O-CA 3.34Å; K297-G301 PolarHBondContact O-N 3.08Å |
| 298 | K | 56 | Low | 59.7 | Low | 189 Ų | 189 | 95.5 Ų | 95.5 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -31.6 | 177.4 | -76 | -178.5 | 177.1 | -175.3 | 0 | 113.7 | S294 Y295 | S294-K298 WeakPolarHBondContact O-CB 3.26Å; S294-K298 WeakPolarHBondContact O-CG 3.26Å; S294-K298 PolarHBondContact O-N 2.83Å; Y295-K298 PolarHBondContact O-N 2.94Å |
| 299 | I | 54.6 | Low | 60.1 | Low | 79 Ų | 79 | 96.4 Ų | 96.4 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -95.8 | -34.4 | -176.7 | -61.7 | 172.9 | 0 | 0 | 0 | 113 | Y295 K297 | Y295-I299 HydrophobicContact CD1-CD1 3.9Å; Y295-I299 HydrophobicContact CD2-CD1 4.02Å; Y295-I299 HydrophobicContact CE1-CD1 3.5Å; Y295-I299 HydrophobicContact CE2-CD1 3.63Å; Y295-I299 HydrophobicContact CG-CD1 4.14Å; Y295-I299 WeakPolarHBondContact O-CG1 3.23Å; Y295-I299 PolarHBondContact O-N 3.38Å; K297-I299 PolarHBondContact O-N 3.07Å |
| 300 | Y | 55.1 | Low | 60 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 43% | 0.431 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -127.7 | 4.9 | -171.1 | -56 | -69.9 | 0 | 0 | 0 | 115 | Y296 F302 Y303 | Y296-Y300 HydrophobicContact CD1-CD2 4.11Å; Y296-Y300 AromaticContact CD2-CD2 3.56Å; Y296-Y300 HydrophobicContact CD2-CD2 3.56Å; Y296-Y300 AromaticContact CD2-CE2 3.98Å; Y296-Y300 HydrophobicContact CD2-CE2 3.98Å; Y296-Y300 HydrophobicContact CE1-CD2 4.07Å; Y296-Y300 HydrophobicContact CE1-CG 4.3Å; Y296-Y300 AromaticContact CE2-CD2 3.5Å; Y296-Y300 HydrophobicContact CE2-CD2 3.5Å; Y296-Y300 AromaticContact CE2-CE2 3.87Å; Y296-Y300 HydrophobicContact CE2-CE2 3.87Å; Y296-Y300 HydrophobicContact CE2-CG 4.34Å; Y296-Y300 AromaticContact CG-CD2 3.87Å; Y296-Y300 HydrophobicContact CG-CD2 3.87Å; Y296-Y300 AromaticContact CZ-CD2 3.77Å; Y296-Y300 WeakPolarHBondContact O-CA 3.37Å; Y296-Y300 WeakPolarHBondContact O-CB 3.44Å; Y296-Y300 PolarHBondContact O-N 2.85Å; Y300-F302 VanDerWaalsContact C-N 3.3Å; Y300-F302 PolarHBondContact O-N 2.81Å; Y300-Y303 PolarHBondContact O-N 3.1Å; Y300-Y303 VanDerWaalsContact O-N 3.08Å |
| 301 | G | 60 | Low | 59.9 | Low | 19 Ų | 19 | 110.2 Ų | 110.2 | 20% | 0.196 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -40.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | K297 | K297-G301 WeakPolarHBondContact O-CA 3.34Å; K297-G301 PolarHBondContact O-N 3.08Å |
| 302 | F | 60.3 | Low | 59.7 | Low | 114 Ų | 114 | 115 Ų | 115 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -14.1 | 173.2 | -65.1 | -77.6 | 0 | 0 | 0 | 114.5 | Y290 Y300 R304 Y305 M306 | Y290-F302 HydrophobicContact CE1-CE1 4.4Å; Y290-F302 WeakPolarHBondContact OH-CE1 3.2Å; Y290-F302 WeakPolarHBondContact OH-CZ 3.46Å; Y300-F302 VanDerWaalsContact C-N 3.3Å; Y300-F302 PolarHBondContact O-N 2.81Å; F302-R304 PolarHBondContact O-N 3.08Å; F302-R304 VanDerWaalsContact O-N 3.17Å; F302-Y305 PolarHBondContact O-N 2.89Å; F302-M306 HydrophobicContact CB-CE 3.66Å; F302-M306 HydrophobicContact CB-CG 4.35Å; F302-M306 HydrophobicContact CB-SD 4.14Å; F302-M306 PolarHBondContact O-N 3.43Å |
| 303 | Y | 60.1 | Low | 59.4 | Low | 147 Ų | 147 | 111.7 Ų | 111.7 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.5 | -177.7 | -165.8 | -85.4 | 0 | 0 | 0 | 113.1 | Y300 Y305 M306 F308 | Y300-Y303 PolarHBondContact O-N 3.1Å; Y300-Y303 VanDerWaalsContact O-N 3.08Å; Y303-Y305 PolarHBondContact O-N 3.36Å; Y303-M306 VanDerWaalsContact O-O 3.08Å; Y303-F308 HydrophobicContact CD2-CD2 4.47Å; Y303-F308 HydrophobicContact CD2-CE2 4.16Å; Y303-F308 AromaticContact CE2-CD2 3.78Å; Y303-F308 HydrophobicContact CE2-CD2 3.78Å; Y303-F308 AromaticContact CE2-CE2 3.79Å; Y303-F308 HydrophobicContact CE2-CE2 3.79Å |
| 304 | R | 60.5 | Low | 58.7 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -21.4 | 172.9 | -166.7 | 171.9 | -175.9 | 177.4 | 2.7 | 113.2 | F302 | F302-R304 PolarHBondContact O-N 3.08Å; F302-R304 VanDerWaalsContact O-N 3.17Å |
| 305 | Y | 64.1 | Low | 58 | Low | 34 Ų | 34 | 123.1 Ų | 123.1 | 13% | 0.133 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -24.7 | -173.5 | -51.7 | -70.7 | 0 | 0 | 0 | 113.3 | F302 Y303 N629 L631 | F302-Y305 PolarHBondContact O-N 2.89Å; Y303-Y305 PolarHBondContact O-N 3.36Å; Y305-N629 PolarHBondContact O-N 3.07Å; Y305-L631 HydrophobicContact CD1-CD1 3.88Å; Y305-L631 HydrophobicContact CD1-CD2 3.95Å; Y305-L631 HydrophobicContact CD1-CG 4.4Å; Y305-L631 HydrophobicContact CD2-CD2 3.8Å; Y305-L631 HydrophobicContact CE1-CD1 3.71Å; Y305-L631 HydrophobicContact CE1-CD2 4.29Å; Y305-L631 HydrophobicContact CE2-CD2 4.15Å; Y305-L631 HydrophobicContact CG-CD1 4.48Å; Y305-L631 HydrophobicContact CG-CD2 3.69Å |
| 306 | M | 67.3 | Low | 56.9 | Low | 61 Ų | 61 | 123.5 Ų | 123.5 | 30% | 0.3 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 115 | 174.2 | -52.4 | -171.8 | -47.3 | 0 | 0 | 109.8 | F302 Y303 F626 Q627 V628 | F302-M306 HydrophobicContact CB-CE 3.66Å; F302-M306 HydrophobicContact CB-CG 4.35Å; F302-M306 HydrophobicContact CB-SD 4.14Å; F302-M306 PolarHBondContact O-N 3.43Å; Y303-M306 VanDerWaalsContact O-O 3.08Å; M306-F626 HydrophobicContact CB-CD2 3.88Å; M306-F626 HydrophobicContact CB-CE2 4.45Å; M306-F626 HydrophobicContact CG-CD2 4.1Å; M306-F626 HydrophobicContact CG-CE2 4.18Å; M306-F626 HydrophobicContact SD-CD2 4.05Å; M306-F626 HydrophobicContact SD-CE2 3.65Å; M306-F626 HydrophobicContact SD-CZ 4.27Å; M306-Q627 WeakPolarHBondContact CA-O 3.39Å; M306-V628 HydrophobicContact CG-CG2 4.36Å |
| 307 | R | 66.8 | Low | 55.8 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.7 | 174.9 | -69.9 | -179.2 | 174.6 | -178 | -2.9 | 109.3 | D309 F626 Q627 | R307-D309 PolarHBondContact O-N 3.31Å; R307-F626 CarbonylContact O-C 3.2Å; R307-F626 VanDerWaalsContact O-CA 3.26Å; R307-F626 WeakPolarHBondContact O-CA 3.45Å; R307-F626 WeakPolarHBondContact O-CB 3.36Å; R307-Q627 PolarHBondContact N-O 2.78Å; R307-Q627 PolarHBondContact O-N 3.37Å |
| 308 | F | 71.7 | Confident | 54.7 | Low | 92 Ų | 92 | 133 Ų | 133 | 40% | 0.404 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57.7 | 135.9 | 171.6 | -70 | -62.4 | 0 | 0 | 0 | 111.2 | Y303 R310 Q624 F626 | Y303-F308 HydrophobicContact CD2-CD2 4.47Å; Y303-F308 HydrophobicContact CD2-CE2 4.16Å; Y303-F308 AromaticContact CE2-CD2 3.78Å; Y303-F308 HydrophobicContact CE2-CD2 3.78Å; Y303-F308 AromaticContact CE2-CE2 3.79Å; Y303-F308 HydrophobicContact CE2-CE2 3.79Å; F308-R310 PolarHBondContact O-N 3Å; F308-Q624 HydrophobicContact CD1-CG 3.8Å; F308-Q624 HydrophobicContact CE1-CG 4.32Å; F308-Q624 HydrophobicContact CG-CG 4.48Å; F308-Q624 VanDerWaalsContact CG-NE2 3.34Å; F308-F626 HydrophobicContact CD1-CB 3.99Å |
| 309 | D | 73.9 | Confident | 53.5 | Low | 52 Ų | 52 | 127.5 Ų | 127.5 | 28% | 0.278 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 131.2 | 170.9 | -67.6 | -60.9 | 0 | 0 | 0 | 109.2 | R307 T625 F626 Q627 | R307-D309 PolarHBondContact O-N 3.31Å; D309-T625 PolarHBondContact N-O 3.11Å; D309-T625 VanDerWaalsContact OD2-CB 3.23Å; D309-T625 WeakPolarHBondContact OD2-CB 3.46Å; D309-T625 PolarHBondContact OD2-OG1 3.3Å; D309-F626 PolarHBondContact OD2-N 3.43Å; D309-Q627 WeakPolarHBondContact OD1-CG 3.26Å; D309-Q627 PolarHBondContact OD1-NE2 3.37Å |
| 310 | R | 61.3 | Low | 52.4 | Low | 234 Ų | 234 | 131.9 Ų | 131.9 | 88% | 0.883 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 131.8 | 174.8 | -69.2 | -176.2 | 175.8 | -174 | -2.2 | 108.4 | F308 | F308-R310 PolarHBondContact O-N 3Š|
| 311 | P | 57.6 | Low | 51.4 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.9 | 173.1 | 27.3 | -34.3 | 0 | 0 | 0 | 109.8 | T313 | P311-T313 PolarHBondContact O-N 3.01Š|
| 312 | E | 47.8 | Very low | 49.8 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | trans | -65.9 | 95.8 | 175.6 | -68.8 | -162.2 | 153 | 0 | 0 | 110.4 | H314 | E312-H314 PolarHBondContact O-N 3.5Š| ||
| 313 | T | 43.6 | Very low | 48.3 | Very low | 124 Ų | 124 | 147 Ų | 147 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | trans | -68.6 | 99.8 | 172 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | P311 K315 | P311-T313 PolarHBondContact O-N 3.01Å; T313-K315 PolarHBondContact O-N 3.3Å | ||
| 314 | H | 41 | Very low | 47.2 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -46.4 | 115.3 | 170.1 | -84.4 | -75.2 | 0 | 0 | 0 | 110.4 | E312 K316 | E312-H314 PolarHBondContact O-N 3.5Å; H314-K316 PolarHBondContact O-N 3.45Å | ||
| 315 | K | 41.9 | Very low | 45.5 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | trans | -63.3 | 102.4 | 168.6 | -71.6 | -176.7 | 177.4 | -179.4 | 0 | 109 | T313 | T313-K315 PolarHBondContact O-N 3.3Š| ||
| 316 | K | 35.7 | Very low | 43.9 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | -104.5 | 106.1 | 160.5 | -80.3 | -170.7 | 173.6 | -178.8 | 0 | 108.6 | H314 F318 | H314-K316 PolarHBondContact O-N 3.45Å; K316-F318 PolarHBondContact O-N 3.43Å | ||
| 317 | D | 36.8 | Very low | 42.1 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 121.7 | 163.5 | -85.4 | -55.3 | 0 | 0 | 0 | 109.7 | ||||
| 318 | F | 32.8 | Very low | 40.2 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 89.6 | 158.5 | -96.6 | -79.9 | 0 | 0 | 0 | 108.3 | K316 | K316-F318 PolarHBondContact O-N 3.43Š| ||
| 319 | G | 31.9 | Very low | 38.2 | Very low | 74 Ų | 74 | 160.6 Ų | 160.6 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 117.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 320 | L | 30.8 | Very low | 36.1 | Very low | 171 Ų | 171 | 165.9 Ų | 165.9 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -109.8 | 142.8 | 148.6 | -88.2 | 83 | 0 | 0 | 0 | 109 | ||||
| 321 | K | 32.8 | Very low | 34.5 | Very low | 189 Ų | 189 | 163.7 Ų | 163.7 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -102.5 | 159.8 | -177.6 | -71.9 | -179 | 176.6 | 176.3 | 0 | 111.7 | ||||
| 322 | N | 28 | Very low | 33.2 | Very low | 158 Ų | 158 | 162 Ų | 162 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 83.5 | 136.7 | 173.8 | -47.1 | -36.8 | 0 | 0 | 0 | 114 | ||||
| 323 | K | 29.2 | Very low | 32.2 | Very low | 212 Ų | 212 | 161.7 Ų | 161.7 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | cis | -121.4 | 173.2 | 6.4 | -89.3 | 179.5 | 174.3 | 172.1 | 0 | 112.7 | ||||
| 324 | K | 35.3 | Very low | 31.4 | Very low | 204 Ų | 204 | 163.8 Ų | 163.8 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 140.4 | -177.7 | -69.6 | -177.3 | 174.7 | -175 | 0 | 114.2 | ||||
| 325 | S | 25 | Very low | 30.8 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -160.8 | 96.6 | 141.8 | 48.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 326 | V | 30.5 | Very low | 30 | Very low | 137 Ų | 137 | 158 Ų | 158 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | 73.9 | 134.5 | 89.2 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 327 | Q | 30.2 | Very low | 30.4 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | -61.4 | 156.8 | -166 | -64.5 | 141.5 | -92.6 | 0 | 0 | 115 | E329 | Q327-E329 PolarHBondContact NE2-OE1 3.12Š| ||
| 328 | E | 26.3 | Very low | 29.7 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | -138.3 | 158.2 | 126.8 | -130.5 | 167.3 | -155 | 0 | 0 | 109.6 | |||||
| 329 | E | 29.1 | Very low | 29.4 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -118.1 | 161.5 | -158.8 | -66.6 | -178.2 | 161.2 | 0 | 0 | 114.1 | Q327 | Q327-E329 PolarHBondContact NE2-OE1 3.12Š| ||
| 330 | D | 31.6 | Very low | 29.2 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 140.2 | 179.5 | -143.3 | -20.9 | 0 | 0 | 0 | 112.2 | ||||
| 331 | R | 25.8 | Very low | 28.9 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 103 | 169.3 | -71.8 | -163.7 | -173.4 | -179.2 | 6.6 | 111.5 | Y333 | R331-Y333 HydrophobicContact CB-CD2 4.28Å; R331-Y333 HydrophobicContact CB-CE2 3.82Å; R331-Y333 PolarHBondContact NH1-OH 2.81Å; R331-Y333 VanDerWaalsContact NH1-OH 3.08Å | ||
| 332 | G | 30.5 | Very low | 28.6 | Very low | 76 Ų | 76 | 153 Ų | 153 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 148.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 333 | Y | 27.7 | Very low | 28.5 | Very low | 182 Ų | 182 | 155 Ų | 155 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | trans | -130.8 | 123.8 | 171.5 | -84.8 | -82.1 | 0 | 0 | 0 | 110 | R331 | R331-Y333 HydrophobicContact CB-CD2 4.28Å; R331-Y333 HydrophobicContact CB-CE2 3.82Å; R331-Y333 PolarHBondContact NH1-OH 2.81Å; R331-Y333 VanDerWaalsContact NH1-OH 3.08Å | ||
| 334 | D | 26.5 | Very low | 28.3 | Very low | 168 Ų | 168 | 149 Ų | 149 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -65 | 146.5 | 164.3 | -79.4 | -56.2 | 0 | 0 | 0 | 110.5 | ||||
| 335 | A | 27.6 | Very low | 27.9 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -118.1 | 109.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 336 | N | 25.7 | Very low | 28 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -118.7 | 146.6 | 170.6 | -130.5 | -7.4 | 0 | 0 | 0 | 108.4 | ||||
| 337 | P | 43.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -91.4 | 147.2 | -154.6 | 34.2 | -36.5 | 0 | 0 | 0 | 115.6 | ||||
| 338 | G | 22.8 | Very low | 28 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 142.9 | 132.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 339 | E | 25.6 | Very low | 28.2 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | cis | -139 | 153.5 | 3.2 | -65 | -164.7 | 89.1 | 0 | 0 | 112.3 | ||||
| 340 | K | 28.6 | Very low | 28 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | 28.6 | 106.4 | 140.5 | -56.3 | 160.1 | -172.3 | 151.5 | 0 | 117.9 | ||||
| 341 | E | 25.2 | Very low | 27.9 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -102.8 | 152.8 | 137.2 | -73.7 | -155.2 | 132 | 0 | 0 | 110.4 | ||||
| 342 | T | 24.9 | Very low | 28.1 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 107.8 | -165.9 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 343 | M | 26.5 | Very low | 28.1 | Very low | 200 Ų | 200 | 151 Ų | 151 | 99% | 0.985 | 80% | 0.802 | S | S | * | * | trans | -94.2 | 109.7 | 154.9 | -77 | -162.5 | 169.6 | 0 | 0 | 109.6 | ||||
| 344 | A | 24.5 | Very low | 28.3 | Very low | 84 Ų | 84 | 149.2 Ų | 149.2 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -128 | 127 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 345 | D | 27.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 53.8 | 75.6 | 156.6 | -56 | -22.4 | 0 | 0 | 0 | 119.3 | ||||
| 346 | Q | 28.1 | Very low | 29 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | -119.3 | 42.6 | 122.1 | -70.3 | -157.7 | 2.1 | 0 | 0 | 112.6 | K348 | Q346-K348 PolarHBondContact O-N 2.98Š| |||
| 347 | M | 31.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 143 Ų | 143 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | -66 | 97.2 | 156.3 | -88.6 | -167.8 | 167.1 | 0 | 0 | 109.4 | ||||
| 348 | K | 27.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -133.8 | 103.1 | 163.2 | -82.5 | -168.8 | 174.5 | 179.7 | 0 | 110.8 | Q346 N350 | Q346-K348 PolarHBondContact O-N 2.98Å; K348-N350 PolarHBondContact O-N 3.07Å | ||
| 349 | N | 30.6 | Very low | 29.6 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 55.3 | 48.3 | 158.9 | -57.9 | 6.8 | 0 | 0 | 0 | 116.2 | V351 | N349-V351 PolarHBondContact O-N 3.27Š| ||
| 350 | N | 25.7 | Very low | 29.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -65.9 | 89.8 | 144.2 | -81 | 16.2 | 0 | 0 | 0 | 107.4 | K348 Y352 | K348-N350 PolarHBondContact O-N 3.07Å; N350-Y352 PolarHBondContact O-N 3.29Å | ||
| 351 | V | 29.6 | Very low | 30 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 130.9 | 154.6 | 179.4 | 0 | 0 | 0 | 0 | 105.8 | N349 P353 | N349-V351 PolarHBondContact O-N 3.27Å; V351-P353 WeakPolarHBondContact O-CD 3.3Å |
| 352 | Y | 30.2 | Very low | 30.8 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.6 | 172.7 | -79.6 | -101.4 | 0 | 0 | 0 | 108 | N350 D354 | N350-Y352 PolarHBondContact O-N 3.29Å; Y352-D354 PolarHBondContact O-N 3.35Å |
| 353 | P | 30.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 50% | 0.5 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 130.5 | 170.8 | -20 | 31.6 | 0 | 0 | 0 | 108 | V351 Y355 | V351-P353 WeakPolarHBondContact O-CD 3.3Å; P353-Y355 HydrophobicContact CB-CD1 4.49Å; P353-Y355 HydrophobicContact CB-CD2 4.01Å; P353-Y355 HydrophobicContact CB-CE1 4.13Å; P353-Y355 HydrophobicContact CB-CE2 3.61Å; P353-Y355 HydrophobicContact CB-CG 4.44Å; P353-Y355 HydrophobicContact CG-CE2 3.77Å; P353-Y355 WeakPolarHBondContact O-CD2 3.46Å; P353-Y355 PolarHBondContact O-N 3.08Å |
| 354 | D | 32.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | -73.6 | 86.1 | 177.5 | -163 | -6.2 | 0 | 0 | 0 | 106.9 | Y352 G356 | Y352-D354 PolarHBondContact O-N 3.35Å; D354-G356 PolarHBondContact O-N 2.87Å | ||
| 355 | Y | 34.9 | Very low | 31.8 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | trans | -74.2 | 51.7 | -176.8 | -74.1 | -66 | 0 | 0 | 0 | 112.1 | P353 | P353-Y355 HydrophobicContact CB-CD1 4.49Å; P353-Y355 HydrophobicContact CB-CD2 4.01Å; P353-Y355 HydrophobicContact CB-CE1 4.13Å; P353-Y355 HydrophobicContact CB-CE2 3.61Å; P353-Y355 HydrophobicContact CB-CG 4.44Å; P353-Y355 HydrophobicContact CG-CE2 3.77Å; P353-Y355 WeakPolarHBondContact O-CD2 3.46Å; P353-Y355 PolarHBondContact O-N 3.08Å | ||
| 356 | G | 33.7 | Very low | 31.9 | Very low | 23 Ų | 23 | 147.8 Ų | 147.8 | 24% | 0.237 | 72% | 0.716 | C | S | . | * | S | Bend | trans | -56.4 | 142.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 110 | D354 D358 | D354-G356 PolarHBondContact O-N 2.87Å; G356-D358 VanDerWaalsContact C-N 3.28Å; G356-D358 PolarHBondContact O-N 2.74Å |
| 357 | D | 36.9 | Very low | 32 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 46% | 0.455 | 71% | 0.712 | S | S | . | * | trans | -58.2 | 95.1 | 157.6 | -50.3 | -96 | 0 | 0 | 0 | 109.1 | Y359 W921 K954 | D357-Y359 PolarHBondContact O-N 2.74Å; D357-W921 VanDerWaalsContact OD2-CH2 3.32Å; D357-W921 WeakPolarHBondContact OD2-CH2 3.29Å; D357-K954 VanDerWaalsContact N-NZ 3.12Å; D357-K954 WeakPolarHBondContact OD2-CE 3.26Å; D357-K954 IonicContact OD2-NZ 2.72Å; D357-K954 PolarHBondContact OD2-NZ 3.45Å | ||
| 358 | D | 33.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -71.6 | 71.6 | 178.8 | -87.7 | -18.9 | 0 | 0 | 0 | 111.5 | G356 | G356-D358 VanDerWaalsContact C-N 3.28Å; G356-D358 PolarHBondContact O-N 2.74Å |
| 359 | Y | 34.3 | Very low | 32.2 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | trans | -114.3 | 31.6 | 154.4 | -88.4 | -82.3 | 0 | 0 | 0 | 110 | D357 D361 | D357-Y359 PolarHBondContact O-N 2.74Å; Y359-D361 VanDerWaalsContact C-N 3.27Å; Y359-D361 PolarHBondContact O-N 2.81Å | ||
| 360 | D | 32.8 | Very low | 32.4 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | -89.6 | 17.9 | -176 | -123.8 | 18.2 | 0 | 0 | 0 | 113.8 | Y362 V363 | D360-Y362 PolarHBondContact O-N 2.74Å; D360-V363 HydrophobicContact CB-CG2 4.47Å; D360-V363 WeakPolarHBondContact O-CG2 3.45Å; D360-V363 PolarHBondContact O-N 3.15Å | ||
| 361 | D | 30.2 | Very low | 32.6 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -2.7 | 173.6 | -123 | 7.7 | 0 | 0 | 0 | 113.6 | Y359 | Y359-D361 VanDerWaalsContact C-N 3.27Å; Y359-D361 PolarHBondContact O-N 2.81Å |
| 362 | Y | 42.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -1.8 | 176.3 | -72 | -71.3 | 0 | 0 | 0 | 115.1 | T63 D360 | T63-Y362 PolarHBondContact OG1-OH 2.94Å; D360-Y362 PolarHBondContact O-N 2.74Å |
| 363 | V | 33.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 65% | 0.648 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86.4 | -23.4 | -174.3 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | D360 | D360-V363 HydrophobicContact CB-CG2 4.47Å; D360-V363 WeakPolarHBondContact O-CG2 3.45Å; D360-V363 PolarHBondContact O-N 3.15Å |
| 364 | Q | 31.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -95.1 | 122.8 | -178.7 | -62.5 | -145.2 | 23.3 | 0 | 0 | 114 | ||
| 365 | N | 30.3 | Very low | 31.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 60.7 | 82.1 | 160.2 | -64 | -43.5 | 0 | 0 | 0 | 118.8 | ||
| 366 | R | 30.9 | Very low | 31.2 | Very low | 243 Ų | 243 | 143.2 Ų | 143.2 | 92% | 0.917 | 69% | 0.686 | S | S | * | * | -179.7 | 145.9 | 103.3 | -91.2 | 152.3 | -162.6 | -147.9 | 5 | 112.5 | R368 | R366-R368 PolarHBondContact O-N 3.22Š| |||
| 367 | R | 30.8 | Very low | 30.9 | Very low | 222 Ų | 222 | 145.7 Ų | 145.7 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | -64.2 | 118 | 161.7 | -80.5 | -177.6 | 172.7 | 173.5 | -2 | 108.3 | K369 | R367-K369 PolarHBondContact O-N 2.88Š| ||
| 368 | R | 33.4 | Very low | 30.5 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 54% | 0.536 | 73% | 0.726 | S | S | . | * | trans | -57 | 107.6 | 174.2 | -65.5 | -179.7 | -178.7 | -176.7 | -3.6 | 109.9 | E27 W62 R366 R955 | E27-R368 IonicContact OE1-NH1 3.83Å; E27-R368 IonicContact OE1-NH2 3.88Å; W62-R368 VanDerWaalsContact CZ2-CZ 3.42Å; R366-R368 PolarHBondContact O-N 3.22Å; R368-R955 VanDerWaalsContact NH2-NH1 3.14Å | ||
| 369 | K | 30.3 | Very low | 30.2 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | -103.4 | 95.9 | 160.5 | -77.5 | -168.8 | 177.1 | -175.1 | 0 | 108.1 | R367 F371 | R367-K369 PolarHBondContact O-N 2.88Å; K369-F371 PolarHBondContact O-N 2.82Å | ||
| 370 | L | 33.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 56% | 0.56 | 73% | 0.727 | S | S | * | * | trans | -65.4 | 128.9 | 157.4 | -92.6 | 74.5 | 0 | 0 | 0 | 107.1 | ||||
| 371 | F | 29.9 | Very low | 29.7 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | trans | 62.4 | 103.3 | 179.4 | -43.9 | -70.5 | 0 | 0 | 0 | 116 | K369 | K369-F371 PolarHBondContact O-N 2.82Š| ||
| 372 | S | 24 | Very low | 29.6 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -136.9 | 109.5 | 151.7 | 58.9 | 0 | 0 | 0 | 0 | 109.4 | A374 | S372-A374 PolarHBondContact O-N 3.18Š| ||
| 373 | F | 25.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | trans | -64.9 | 128.6 | 173.3 | -87.5 | -99.6 | 0 | 0 | 0 | 110.1 | T375 | F373-T375 PolarHBondContact O-N 3.27Š| ||
| 374 | A | 24.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -88.8 | 80.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S372 R376 | S372-A374 PolarHBondContact O-N 3.18Å; A374-R376 PolarHBondContact O-N 3.44Å | ||
| 375 | T | 27.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -71.7 | 92.7 | 168.3 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | F373 G377 | F373-T375 PolarHBondContact O-N 3.27Å; T375-G377 PolarHBondContact O-N 3.42Å; T375-G377 VanDerWaalsContact O-N 3.17Å | ||
| 376 | R | 27 | Very low | 29 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | trans | -74.2 | 99.1 | 168.4 | -85.2 | -175.3 | 167.6 | 169.8 | -4 | 109.9 | A374 | A374-R376 PolarHBondContact O-N 3.44Š| ||
| 377 | G | 26.3 | Very low | 29.1 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -71.3 | 162.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T375 | T375-G377 PolarHBondContact O-N 3.42Å; T375-G377 VanDerWaalsContact O-N 3.17Å | ||
| 378 | V | 28.6 | Very low | 29 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | trans | -103.8 | 138.5 | 178.3 | -177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 379 | D | 26.5 | Very low | 28.7 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 175.2 | 103.9 | 132.7 | -87.3 | -10.6 | 0 | 0 | 0 | 112 | ||||
| 380 | D | 29 | Very low | 28.5 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | 35.5 | 135.3 | 131.4 | -88.3 | 3.1 | 0 | 0 | 0 | 125.7 | ||||
| 381 | T | 27.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | trans | 87.9 | 122.4 | 134.2 | 55.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 382 | L | 29.5 | Very low | 28.4 | Very low | 149 Ų | 149 | 137 Ų | 137 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 70.2 | 146.1 | 135 | -64 | 169.5 | 0 | 0 | 0 | 118.9 | ||||
| 383 | D | 27.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | cis | -155.8 | 165.3 | -3 | -146.2 | -19.4 | 0 | 0 | 0 | 112.2 | ||||
| 384 | K | 27.2 | Very low | 28.7 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | 42 | 127.9 | 153.1 | -79.5 | 146.4 | -159.8 | 147.9 | 0 | 123.8 | ||||
| 385 | S | 26.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -83.6 | -179.6 | 143.6 | 70.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 386 | P | 43.3 | Very low | 28.7 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | -150.4 | -173.6 | 57.9 | 42.3 | -20.5 | 0 | 0 | 0 | 116.6 | |||||
| 387 | D | 31.9 | Very low | 28.8 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 62.2 | 156 | 143.5 | -72.1 | -2.4 | 0 | 0 | 0 | 122.2 | ||||
| 388 | E | 29.6 | Very low | 28.8 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | cis | -160.3 | -175.8 | -34 | -132.9 | -158.5 | 159.4 | 0 | 0 | 109.6 | ||||
| 389 | R | 26.7 | Very low | 28.8 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | trans | 8.4 | 132 | 157.3 | -57.3 | 169 | -163.4 | 166.4 | 23.7 | 118 | ||||
| 390 | G | 25.9 | Very low | 28.8 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | cis | 113.4 | 163.8 | 24.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 391 | R | 31.8 | Very low | 28.7 | Very low | 242 Ų | 242 | 147.8 Ų | 147.8 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | trans | 71.5 | 156.2 | -179.3 | -62.8 | -179.3 | 164.7 | -164.1 | -2.1 | 114.7 | ||||
| 392 | I | 28.7 | Very low | 28.5 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 65% | 0.651 | 73% | 0.726 | S | S | * | * | cis | -148.9 | 138.1 | -2 | -129.2 | 166.1 | 0 | 0 | 0 | 113.7 | ||||
| 393 | K | 26.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | 36.9 | 130.6 | 134.8 | -81.6 | 174.4 | 148.1 | -90 | 0 | 124.7 | ||||
| 394 | D | 29.4 | Very low | 28.3 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | 97 | 149.2 | 121 | -65.8 | -14.2 | 0 | 0 | 0 | 123.4 | |||||
| 395 | F | 24.7 | Very low | 28.7 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | trans | 85.4 | 150 | 167.9 | -77.1 | -75.3 | 0 | 0 | 0 | 121.9 | ||||
| 396 | Q | 28.5 | Very low | 28.8 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -130.5 | 150.9 | -154.9 | -62.6 | 177 | -37.3 | 0 | 0 | 112.8 | ||||
| 397 | N | 27.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 51.5 | 113.2 | 143.2 | -64.9 | -28.5 | 0 | 0 | 0 | 120.4 | ||||
| 398 | R | 27.4 | Very low | 28.6 | Very low | 229 Ų | 229 | 149.6 Ų | 149.6 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -177.7 | 148.1 | 95 | -102.8 | -179 | 171.8 | -179.4 | -1.3 | 116.4 | |||||
| 399 | K | 27.7 | Very low | 28.7 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | trans | 70.8 | 104.7 | 144.7 | -79.3 | -176.3 | 161.6 | -81.4 | 0 | 122.2 | ||||
| 400 | E | 28 | Very low | 28.9 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | 79.2 | 130.3 | 113.2 | -81.9 | 177.5 | -118.8 | 0 | 0 | 124.6 | |||||
| 401 | Q | 25.8 | Very low | 30 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 72.8 | 132.5 | 149.2 | -62.9 | 176.5 | 53.3 | 0 | 0 | 119.9 | ||||
| 402 | G | 23.4 | Very low | 30 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 162.4 | 64.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 403 | A | 23.9 | Very low | 30 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 60.5 | 179 | 151.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 404 | V | 29.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -139 | 153.5 | -167.5 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 405 | P | 35.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -135.8 | 138.9 | 138 | 33.8 | -20 | 0 | 0 | 0 | 115.6 | ||||
| 406 | Q | 28.9 | Very low | 31.9 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -94.3 | 174.1 | 154.8 | -110.4 | -173 | 15.3 | 0 | 0 | 108.3 | ||||
| 407 | P | 45.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | cis | -153.5 | -179.3 | 39.7 | 42.9 | -21.5 | 0 | 0 | 0 | 118.2 | ||||
| 408 | Q | 25 | Very low | 32.1 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | -173.6 | -174.4 | 119.4 | -97.3 | -174.8 | 21.9 | 0 | 0 | 111.8 | |||||
| 409 | K | 30.9 | Very low | 32 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -138.8 | 166.4 | -134.6 | -124.2 | 178.2 | -178.2 | 179.7 | 0 | 119.4 | ||||
| 410 | E | 30.3 | Very low | 32.1 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -69.3 | -167.4 | 177.2 | -130.4 | -168.7 | -104.3 | 0 | 0 | 114.5 | G412 | E410-G412 WeakPolarHBondContact OE2-CA 3.43Š| ||
| 411 | P | 51.1 | Low | 32.1 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -102.5 | 179.7 | 26.5 | 41.5 | -38.1 | 0 | 0 | 0 | 114.8 | ||||
| 412 | G | 31.8 | Very low | 32 | Very low | 57 Ų | 57 | 139.3 Ų | 139.3 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | cis | -176.5 | -165.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E410 | E410-G412 WeakPolarHBondContact OE2-CA 3.43Š| ||
| 413 | K | 28.4 | Very low | 33.3 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | cis | -152.1 | -170.4 | 6.9 | -98.4 | -171.2 | 176.6 | -177.8 | 0 | 109.5 | ||||
| 414 | A | 29.7 | Very low | 33.6 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -146.2 | -166.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 415 | P | 58 | Low | 33.6 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | cis | -122.9 | -151.5 | 10.4 | 46.8 | -31.7 | 0 | 0 | 0 | 112.9 | ||||
| 416 | E | 32.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -158.5 | 176.1 | 4.9 | -110.7 | -150.5 | -166 | 0 | 0 | 107 | ||||
| 417 | K | 33.3 | Very low | 33 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 61% | 0.613 | 74% | 0.74 | S | S | * | * | cis | -173.3 | 164.7 | -24.9 | -176.6 | -161.4 | -82.2 | 142.3 | 0 | 107.7 | ||||
| 418 | V | 27 | Very low | 32 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | 117.2 | 112 | 147.7 | -175.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 419 | F | 26 | Very low | 32.1 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | 9.2 | 167.2 | 146.2 | -65.6 | -102.9 | 0 | 0 | 0 | 124.3 | ||||
| 420 | K | 29.4 | Very low | 31.8 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 70% | 0.704 | 72% | 0.722 | S | S | * | * | cis | 176.6 | 149.2 | -41.4 | -132.6 | -173.7 | 173 | -169.2 | 0 | 111.8 | ||||
| 421 | Q | 27.2 | Very low | 31.6 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 72.2 | 119.2 | 155.8 | -68.2 | 176.9 | -98.2 | 0 | 0 | 123.5 | ||||
| 422 | D | 25.6 | Very low | 30.5 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | 41.6 | 165.3 | 116 | -70.8 | -56.8 | 0 | 0 | 0 | 124.4 | |||||
| 423 | P | 50.1 | Low | 30.2 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | cis | -144.8 | -170.1 | -29.6 | 39 | -18.7 | 0 | 0 | 0 | 116.6 | ||||
| 424 | H | 29.2 | Very low | 30 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | 92.3 | 129.1 | 141.8 | -81.3 | -23.6 | 0 | 0 | 0 | 126.6 | ||||
| 425 | Q | 29.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | 82.5 | 128.2 | 131.7 | -75.5 | -171 | 24.9 | 0 | 0 | 126.1 | ||||
| 426 | N | 25.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | 61 | 160 | 133.3 | -67.1 | -30.1 | 0 | 0 | 0 | 121.7 | ||||
| 427 | R | 26.7 | Very low | 27.9 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 76% | 0.758 | 73% | 0.728 | S | S | * | * | cis | -172.7 | 172.5 | -25.7 | 177.9 | 172.4 | 172.9 | -171.9 | -2 | 107.7 | ||||
| 428 | T | 24.7 | Very low | 27.7 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 64% | 0.638 | 74% | 0.741 | S | S | * | * | trans | 69.1 | 125.8 | 168.9 | 31.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 429 | E | 27.2 | Very low | 27.6 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | 65.3 | 118.6 | 45.4 | -58.1 | -173.4 | 110.5 | 0 | 0 | 114.8 | ||||
| 430 | F | 23.8 | Very low | 27.7 | Very low | 174 Ų | 174 | 149.3 Ų | 149.3 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | -167.4 | 175.5 | 97.7 | -117.8 | -93.6 | 0 | 0 | 0 | 113.1 | |||||
| 431 | K | 27.8 | Very low | 27.5 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -102.8 | 167.7 | -172.3 | -58.2 | 170.9 | -178.4 | 172.1 | 0 | 113.2 | ||||
| 432 | H | 26.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | 155.1 | 115.1 | 129.8 | -86.9 | -77.6 | 0 | 0 | 0 | 109.2 | |||||
| 433 | E | 25.3 | Very low | 27.3 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | 72 | 149 | 90.6 | -74 | -172.6 | 154.7 | 0 | 0 | 115 | |||||
| 434 | G | 24.9 | Very low | 26 | Very low | 74 Ų | 74 | 150.4 Ų | 150.4 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 156.4 | 10.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 435 | S | 23 | Very low | 25.8 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 40.6 | 122.2 | 152 | -70.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 436 | V | 26.2 | Very low | 25.6 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | 92.6 | 141.9 | 122.9 | 168 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 437 | K | 26.1 | Very low | 25.5 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 107.6 | 95.6 | 153.7 | -92.6 | 156.5 | -167.7 | 171.5 | 0 | 122 | ||||
| 438 | K | 29.9 | Very low | 25.4 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | 7.9 | 135.9 | 138.2 | -64.4 | 178.4 | 175.4 | 177.7 | 0 | 121 | ||||
| 439 | V | 24.6 | Very low | 25.5 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 154.1 | 136.6 | -180 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 440 | Q | 28.2 | Very low | 25.4 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -151.6 | 128.5 | 179.4 | -174.4 | -165.9 | 74.6 | 0 | 0 | 114 | ||||
| 441 | S | 25.1 | Very low | 25.5 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -151.6 | 134.7 | 165.3 | 41.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 442 | K | 25 | Very low | 25.4 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | 66.6 | 130 | 56.8 | -64.7 | 173.4 | -177.7 | 165.1 | 0 | 111.7 | |||||
| 443 | K | 24.8 | Very low | 25.3 | Very low | 181 Ų | 181 | 153.6 Ų | 153.6 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | cis | -171.2 | 172.5 | 5.1 | -124.9 | 177.4 | -177.5 | 178.4 | 0 | 111 | ||||
| 444 | T | 22.5 | Very low | 25.3 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 129.7 | 142.5 | 157.2 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 445 | K | 24.6 | Very low | 25.2 | Very low | 179 Ų | 179 | 157 Ų | 157 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | cis | 110.4 | 141.6 | 2.4 | -78.7 | -151.5 | 167.5 | -170.8 | 0 | 116.7 | ||||
| 446 | V | 26.2 | Very low | 25.3 | Very low | 105 Ų | 105 | 155.7 Ų | 155.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -166 | 144.6 | -25.2 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 447 | R | 23.5 | Very low | 25.2 | Very low | 239 Ų | 239 | 156.5 Ų | 156.5 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 55 | 134.1 | 158 | -82.8 | 172.9 | -179.8 | -177.7 | -0.1 | 122.4 | ||||
| 448 | S | 24.5 | Very low | 25.2 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 177.5 | 148.2 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 449 | A | 26.3 | Very low | 24.9 | Very low | 90 Ų | 90 | 154 Ų | 154 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -162.6 | 147.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 450 | K | 24.9 | Very low | 25.4 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 73.6 | 125.3 | 142.4 | -79.1 | 175.9 | 176.4 | 176.3 | 0 | 123.7 | ||||
| 451 | R | 26.1 | Very low | 25.2 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 79.8 | 129.1 | 129.5 | -84.3 | -173.9 | 167 | -176.8 | -3.7 | 123.5 | |||||
| 452 | Q | 25.8 | Very low | 25.3 | Very low | 135 Ų | 135 | 155.6 Ų | 155.6 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | 114.3 | 134.5 | 120.8 | -101.5 | -168.4 | 17 | 0 | 0 | 121.9 | |||||
| 453 | K | 24.4 | Very low | 25.3 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 71.6 | 158.4 | 151.6 | -72 | 175.2 | 178.5 | 174.7 | 0 | 119 | ||||
| 454 | V | 24.4 | Very low | 25.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | cis | -179.1 | 160.9 | -38.4 | 125.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 455 | K | 23.6 | Very low | 25.3 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 158.9 | 177.6 | -75.8 | 174.6 | 177.8 | -175.9 | 0 | 115.2 | ||||
| 456 | A | 23.8 | Very low | 25.4 | Very low | 87 Ų | 87 | 148.3 Ų | 148.3 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | cis | -140.9 | 170.2 | 8.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 457 | T | 25 | Very low | 25.5 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | -119.5 | 133.4 | 171.5 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 458 | I | 26 | Very low | 25.7 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -140.2 | 140.3 | 170.7 | -65.6 | -173.7 | 0 | 0 | 0 | 110.7 | ||||
| 459 | K | 23.4 | Very low | 25.9 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -113 | 160.9 | 169.2 | -121.7 | -171 | 179.5 | -163.6 | 0 | 107.2 | ||||
| 460 | P | 35.7 | Very low | 26 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -154.5 | -157.9 | 69.1 | 42.1 | -19.7 | 0 | 0 | 0 | 115.6 | |||||
| 461 | E | 24.8 | Very low | 26.2 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -88 | 168.6 | -171.9 | -49.4 | 109.2 | 138.9 | 0 | 0 | 116.1 | ||||
| 462 | Q | 26.1 | Very low | 26.4 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -160.5 | 122.1 | 131.7 | -113.8 | 171.6 | 12.2 | 0 | 0 | 116.5 | ||||
| 463 | T | 24.2 | Very low | 26.7 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 47.2 | 107.9 | 140.2 | 52 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 464 | N | 24.6 | Very low | 27 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | 30.7 | 123.2 | 121.2 | -59.4 | -4.1 | 0 | 0 | 0 | 123.1 | |||||
| 465 | S | 24.5 | Very low | 27.2 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 177.3 | 145.9 | 116.5 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 466 | S | 25.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | 115.1 | 90.1 | -1.1 | 77.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 467 | A | 29 | Very low | 27.8 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | -167.3 | 120.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 468 | L | 27.3 | Very low | 27.9 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | 66 | 138 | 93.3 | -63.1 | 168.7 | 0 | 0 | 0 | 113.2 | |||||
| 469 | I | 28.1 | Very low | 28.1 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | cis | -137.5 | 151.1 | 24.1 | -59.2 | 165.1 | 0 | 0 | 0 | 106.9 | ||||
| 470 | G | 28.5 | Very low | 28.1 | Very low | 57 Ų | 57 | 134.3 Ų | 134.3 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | cis | 102.7 | 144.9 | 26.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 471 | N | 29.3 | Very low | 27.5 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | cis | -140 | 158 | -21.9 | -78.2 | -26.9 | 0 | 0 | 0 | 105.2 | ||||
| 472 | G | 29.8 | Very low | 27.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | 128.4 | 167 | 68.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 473 | E | 31.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | cis | -164.7 | 156.7 | -2.7 | -123.1 | -153.5 | 129.2 | 0 | 0 | 112.1 | K475 | E473-K475 IonicContact OE1-NZ 2.77Š| ||
| 474 | I | 31.6 | Very low | 28.1 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 61% | 0.605 | 76% | 0.761 | S | S | * | * | trans | 78.8 | 140.7 | 142 | -72.4 | 177.8 | 0 | 0 | 0 | 121.1 | ||||
| 475 | K | 27.7 | Very low | 28.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | cis | -159.5 | 142.4 | -26.7 | -101.2 | 157.4 | -173.8 | 129.2 | 0 | 105.1 | E473 | E473-K475 IonicContact OE1-NZ 2.77Š| ||
| 476 | A | 28.6 | Very low | 28.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 58.3 | 143.9 | 73.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 477 | K | 31.3 | Very low | 28.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | cis | -139.4 | -170.7 | 30.3 | -63 | 178.1 | 176.7 | 178.6 | 0 | 110.9 | ||||
| 478 | Q | 27.4 | Very low | 28.1 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -164.7 | 127.5 | 26.7 | -153.2 | 157.8 | -7.1 | 0 | 0 | 109.2 | ||||
| 479 | Q | 30.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 40.2 | 141.1 | 99.5 | -73.1 | -174.5 | -33.8 | 0 | 0 | 116.2 | |||||
| 480 | L | 24.2 | Very low | 27.8 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | -162 | 161.2 | 3.8 | -110.4 | 156.3 | 0 | 0 | 0 | 105.5 | ||||
| 481 | G | 22.8 | Very low | 27.6 | Very low | 60 Ų | 60 | 143.2 Ų | 143.2 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | cis | 155.3 | -170.7 | 21 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 482 | V | 23.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | 92.2 | 156.5 | 170.4 | -170.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 483 | L | 25.1 | Very low | 27.2 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -98.9 | 172.2 | -155.6 | -99.8 | 83.2 | 0 | 0 | 0 | 116.9 | ||||
| 484 | P | 39.2 | Very low | 26.8 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -104.8 | 164.2 | -160.5 | 40.2 | -37.2 | 0 | 0 | 0 | 117.1 | ||||
| 485 | Q | 25.1 | Very low | 26.6 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -146.4 | 141.1 | 158.8 | -70.7 | -160.1 | 31.9 | 0 | 0 | 114.5 | ||||
| 486 | R | 25.4 | Very low | 26.3 | Very low | 222 Ų | 222 | 160.2 Ų | 160.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | 28.1 | 126.2 | 148 | -60.5 | 178.7 | 176.8 | -174.6 | -0.9 | 121 | ||||
| 487 | P | 30.3 | Very low | 26.1 | Very low | 138 Ų | 138 | 166.8 Ų | 166.8 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -80.7 | 149.9 | 156.9 | 34.5 | -32.6 | 0 | 0 | 0 | 112 | ||||
| 488 | G | 22.1 | Very low | 25.8 | Very low | 69 Ų | 69 | 162.8 Ų | 162.8 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 138.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 489 | S | 22.9 | Very low | 25.8 | Very low | 118 Ų | 118 | 164 Ų | 164 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -5 | 134.3 | 168.4 | 57.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 490 | K | 27 | Very low | 25.5 | Very low | 212 Ų | 212 | 161.6 Ų | 161.6 | 92% | 0.922 | 81% | 0.812 | S | S | * | * | trans | -134.5 | 133.7 | 151.1 | -71.9 | -171 | 177.1 | 177.6 | 0 | 111.5 | ||||
| 491 | Q | 25.1 | Very low | 25.5 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -103.3 | 170.3 | 173.2 | -77.1 | -177.6 | -28.6 | 0 | 0 | 111.4 | ||||
| 492 | H | 25.7 | Very low | 25.8 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -55 | 148.5 | 173.3 | -60.6 | -92.6 | 0 | 0 | 0 | 114 | ||||
| 493 | R | 24.8 | Very low | 25.9 | Very low | 220 Ų | 220 | 162.3 Ų | 162.3 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | -169.7 | 144.8 | 111.4 | -109.4 | -178.7 | 168.7 | 176.5 | -1.5 | 115.2 | |||||
| 494 | N | 22.8 | Very low | 26.2 | Very low | 134 Ų | 134 | 162.5 Ų | 162.5 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 43.2 | 128.5 | 143.9 | -59.4 | -3.8 | 0 | 0 | 0 | 121.5 | ||||
| 495 | R | 26.3 | Very low | 25.7 | Very low | 240 Ų | 240 | 162.8 Ų | 162.8 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -134.7 | 132.4 | 137.8 | -146.7 | 173 | -171.6 | -177.3 | 1.6 | 109.6 | ||||
| 496 | R | 22.8 | Very low | 26 | Very low | 225 Ų | 225 | 161.2 Ų | 161.2 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | -95.4 | 148.4 | 173.4 | -68.7 | 175.6 | 173.4 | 166.7 | -4.5 | 109.5 | ||||
| 497 | Y | 24.8 | Very low | 26.2 | Very low | 228 Ų | 228 | 158.2 Ų | 158.2 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -149.6 | 167.9 | 142.6 | -106.8 | -80.6 | 0 | 0 | 0 | 108.6 | ||||
| 498 | S | 23.7 | Very low | 26.1 | Very low | 91 Ų | 91 | 158.4 Ų | 158.4 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -157.2 | 159.2 | -160 | 66.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 499 | K | 27.1 | Very low | 26.4 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | 75.3 | 155.1 | 164.1 | -57 | -178.8 | 176.1 | -177.5 | 0 | 114.7 | ||||
| 500 | T | 25.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 164 Ų | 164 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -156.3 | 171.8 | 9.5 | -14.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 501 | N | 24.4 | Very low | 26.5 | Very low | 126 Ų | 126 | 159.3 Ų | 159.3 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 73.9 | 149.3 | 162.1 | -53.8 | -10 | 0 | 0 | 0 | 116.5 | ||||
| 502 | H | 28.3 | Very low | 27.6 | Very low | 158 Ų | 158 | 156.2 Ų | 156.2 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | cis | -176.1 | 167.3 | -21 | -97.9 | -27.1 | 0 | 0 | 0 | 107.6 | ||||
| 503 | T | 25.9 | Very low | 27.6 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | cis | -162.6 | 155.7 | 2.2 | 3.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 504 | Q | 30.8 | Very low | 27.7 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 68.3 | 153.1 | 148.4 | -69.7 | -176.6 | 7.3 | 0 | 0 | 119.3 | ||||
| 505 | I | 29.6 | Very low | 27.8 | Very low | 118 Ų | 118 | 148 Ų | 148 | 61% | 0.605 | 74% | 0.744 | S | S | * | * | cis | -155.6 | 143.2 | 2.8 | -126 | 168 | 0 | 0 | 0 | 113.7 | ||||
| 506 | Q | 30.7 | Very low | 27.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | trans | 60.2 | 156 | 153.6 | -66.9 | 179.3 | 48.6 | 0 | 0 | 120.9 | ||||
| 507 | K | 29.3 | Very low | 27.9 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | cis | -164 | 148.7 | -1.5 | -122 | 175.2 | -178.7 | 147.5 | 0 | 112.3 | ||||
| 508 | L | 28.8 | Very low | 27.9 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 58.9 | 153.9 | 150.2 | -95.7 | 78.6 | 0 | 0 | 0 | 120.5 | ||||
| 509 | N | 28.4 | Very low | 27.9 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -161.1 | 152.5 | -15 | -141.2 | -0.5 | 0 | 0 | 0 | 114 | ||||
| 510 | K | 27 | Very low | 27.9 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 61.9 | 141.8 | 152.6 | -75 | 179 | 178.9 | -175.2 | 0 | 123.9 | ||||
| 511 | S | 23.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -107.5 | -158.2 | 174.8 | -36.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 512 | P | 48.1 | Very low | 28.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | cis | -136.5 | 175.2 | -13.3 | 38.2 | -19.9 | 0 | 0 | 0 | 115.8 | ||||
| 513 | G | 25.9 | Very low | 28.6 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -173.7 | 91.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 514 | K | 27.2 | Very low | 28.6 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | trans | -10 | 158.8 | 151.6 | -72.1 | -176.6 | 177.4 | -173.7 | 0 | 120.4 | ||||
| 515 | S | 24.3 | Very low | 28.4 | Very low | 85 Ų | 85 | 134 Ų | 134 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | 176.7 | 156.2 | -11.4 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 516 | N | 25.6 | Very low | 28.3 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 66.6 | 164.5 | 153.6 | -67.1 | 24.4 | 0 | 0 | 0 | 117.4 | ||||
| 517 | E | 26.1 | Very low | 28.2 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -159.2 | 139.2 | -18 | -109 | 160.4 | 164.6 | 0 | 0 | 107.9 | ||||
| 518 | V | 25.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | 68.9 | 122.8 | 104.9 | 177.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 519 | E | 24.2 | Very low | 28.2 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 161.4 | 162.9 | -69.8 | 167.8 | -175.2 | 0 | 0 | 117.7 | ||||
| 520 | T | 25.5 | Very low | 28.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | cis | -138.4 | 166.9 | 8.8 | 37.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 521 | D | 34.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -100.4 | 134.8 | 152.4 | 172.4 | 37.4 | 0 | 0 | 0 | 108.3 | G523 | D521-G523 PolarHBondContact OD1-N 2.93Š| ||
| 522 | P | 33.4 | Very low | 28.2 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | -145.8 | 144.2 | 117.2 | 36.6 | -21.9 | 0 | 0 | 0 | 114.9 | |||||
| 523 | G | 24.9 | Very low | 27 | Very low | 60 Ų | 60 | 138.2 Ų | 138.2 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | trans | -95.3 | -176.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D521 | D521-G523 PolarHBondContact OD1-N 2.93Š| ||
| 524 | K | 26.6 | Very low | 26.9 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | 73.5 | 148.5 | 176.3 | -55.2 | 177 | -177.2 | 171.6 | 0 | 114.5 | ||||
| 525 | T | 27 | Very low | 26.8 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | cis | -160.4 | 151.7 | -5.5 | 6.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 526 | L | 27.9 | Very low | 27.7 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | trans | -134.9 | 135 | 147.3 | -90.6 | 178.3 | 0 | 0 | 0 | 111.9 | ||||
| 527 | R | 28.2 | Very low | 27.6 | Very low | 206 Ų | 206 | 144 Ų | 144 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | -94.5 | 168 | 167.6 | -85.9 | 170.7 | 163.7 | -136.9 | 10.3 | 107.1 | ||||
| 528 | E | 30.1 | Very low | 27.4 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 51% | 0.505 | 74% | 0.735 | S | S | . | * | cis | -165.9 | 166.4 | 11 | -132.7 | 168.1 | -122.1 | 0 | 0 | 109.9 | ||||
| 529 | K | 28.6 | Very low | 27.5 | Very low | 146 Ų | 146 | 145 Ų | 145 | 64% | 0.635 | 73% | 0.732 | S | S | * | * | trans | 68 | 155.4 | 151.8 | -67.6 | 179.6 | 165.6 | 122.8 | 0 | 119 | ||||
| 530 | E | 25.6 | Very low | 27.6 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -162.2 | 160 | -15.3 | -114 | 157.6 | -167.8 | 0 | 0 | 109.5 | ||||
| 531 | I | 27.5 | Very low | 27.6 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 46 | 147.3 | 140.6 | -65.2 | 163.5 | 0 | 0 | 0 | 120.4 | ||||
| 532 | E | 24.9 | Very low | 27.1 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | cis | -179.7 | 158.5 | -26.5 | -160.6 | -161 | 135.8 | 0 | 0 | 106.7 | ||||
| 533 | Q | 23.4 | Very low | 26.8 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | trans | 65.2 | 140.4 | 168.4 | -43.5 | -179 | 1.1 | 0 | 0 | 115.9 | ||||
| 534 | N | 24.1 | Very low | 27 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | -164.9 | 159 | 52.5 | -100.2 | -61.5 | 0 | 0 | 0 | 114.6 | |||||
| 535 | K | 23.7 | Very low | 27 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | -110.4 | 178.7 | 150 | -115.4 | -173.7 | -179.3 | -173.9 | 0 | 106.3 | ||||
| 536 | P | 43.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | cis | -126.4 | -159.8 | -20.7 | 41.2 | -24.5 | 0 | 0 | 0 | 110.6 | ||||
| 537 | L | 23.5 | Very low | 26.7 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | trans | -157.6 | 153.8 | 146 | -114.5 | 168 | 0 | 0 | 0 | 110.5 | ||||
| 538 | Q | 23.1 | Very low | 26.5 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | trans | -162.1 | 155.6 | -169 | -178.2 | 172.8 | 5.5 | 0 | 0 | 110.4 | ||||
| 539 | K | 26.8 | Very low | 26.2 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 63% | 0.63 | 71% | 0.709 | S | S | * | * | trans | 68.3 | 160.2 | 168.4 | -91.1 | 168 | 153.5 | -87.5 | 0 | 115.5 | ||||
| 540 | D | 27.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 142 Ų | 142 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | cis | -140 | 160.3 | 2.7 | -86 | -58.2 | 0 | 0 | 0 | 110.2 | ||||
| 541 | L | 24.7 | Very low | 25.7 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 72% | 0.717 | S | S | * | * | -163.9 | 154.2 | 121.4 | -133.8 | 74.9 | 0 | 0 | 0 | 111.4 | |||||
| 542 | D | 24.6 | Very low | 25.5 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | -146.9 | 161.8 | -163.5 | -138.1 | -16.8 | 0 | 0 | 0 | 112.8 | ||||
| 543 | N | 27.3 | Very low | 25.4 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 73.1 | 137.7 | 161.3 | -71.4 | -63.1 | 0 | 0 | 0 | 124.4 | ||||
| 544 | H | 28.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | 124.1 | 137 | 145.6 | -69.5 | -30.4 | 0 | 0 | 0 | 115.6 | ||||
| 545 | I | 26.4 | Very low | 25.4 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -162.3 | 166.6 | -18.3 | -129.8 | 171.4 | 0 | 0 | 0 | 109.6 | ||||
| 546 | N | 24.8 | Very low | 25.3 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -2 | 155.2 | 160.3 | -50.7 | -19.5 | 0 | 0 | 0 | 120.6 | ||||
| 547 | S | 24 | Very low | 24.3 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | cis | -174.5 | -162.9 | -5.3 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 548 | D | 24.5 | Very low | 24.3 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 60% | 0.599 | 73% | 0.733 | S | S | * | * | cis | -161.3 | 170.1 | 8.9 | -162.8 | 16.7 | 0 | 0 | 0 | 112 | ||||
| 549 | K | 23.8 | Very low | 24.3 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | 16.7 | 120.6 | 155 | -77.7 | 171 | -151.8 | 86 | 0 | 124.1 | ||||
| 550 | M | 22 | Very low | 24.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | 74.8 | 130.8 | 107.1 | -154.9 | 177.9 | 77.4 | 0 | 0 | 122.8 | |||||
| 551 | S | 22.1 | Very low | 24 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | 131.8 | 119.1 | 125 | -155.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 552 | T | 23.5 | Very low | 24 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 62.9 | 130.5 | 138.8 | 51.7 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 553 | R | 21.9 | Very low | 24 | Very low | 248 Ų | 248 | 149.4 Ų | 149.4 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | trans | 65.9 | 144.9 | 145.1 | -67 | 171.6 | 170.1 | 172 | -2.9 | 118.6 | ||||
| 554 | G | 22 | Very low | 23.8 | Very low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | 155.4 | 166.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 555 | K | 24.9 | Very low | 23.6 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | 79.6 | 113.2 | 166.3 | -66.7 | -175.1 | 173.5 | -178.4 | 0 | 122.2 | ||||
| 556 | T | 22.2 | Very low | 23.5 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | 69.2 | 160.9 | 134.3 | 68.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 557 | S | 22.6 | Very low | 23.5 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | -162 | 159.8 | 22.4 | 82.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 558 | K | 23.6 | Very low | 23.5 | Very low | 206 Ų | 206 | 152.4 Ų | 152.4 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | 79.6 | 158.7 | 146.8 | -76 | 174.3 | 178 | 175.4 | 0 | 122.4 | ||||
| 559 | K | 23.6 | Very low | 23.7 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -114.3 | 157.9 | -169.6 | -59.3 | 176.1 | 173.5 | -177.4 | 0 | 112.8 | ||||
| 560 | K | 23.9 | Very low | 23.7 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 170 | 164.6 | 135.8 | -98.5 | -179 | 178.6 | -172.7 | 0 | 109 | ||||
| 561 | S | 23.2 | Very low | 23.8 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | 177.4 | 132.9 | -38.2 | 51.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 562 | Y | 24.3 | Very low | 23.9 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | trans | -131.3 | 159.8 | -177.8 | -85.5 | -81.3 | 0 | 0 | 0 | 114.3 | ||||
| 563 | L | 24.7 | Very low | 24 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -145.5 | 130.8 | -173.1 | -93.5 | 165.4 | 0 | 0 | 0 | 112.7 | ||||
| 564 | R | 22.8 | Very low | 24.2 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 37.7 | 133 | 142.5 | -175.2 | -177.9 | -72.8 | -99.7 | 3.6 | 122.6 | E566 | R564-E566 IonicContact NH1-OE1 2.7Å; R564-E566 PolarHBondContact NH1-OE1 2.77Å | ||
| 565 | G | 24.5 | Very low | 24.4 | Very low | 65 Ų | 65 | 153 Ų | 153 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | 155.7 | 102.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 566 | E | 25 | Very low | 24.4 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 61% | 0.607 | 78% | 0.784 | S | S | * | * | 73.5 | 98.1 | 66.4 | -60.7 | -178.8 | 163.2 | 0 | 0 | 111.8 | R564 | R564-E566 IonicContact NH1-OE1 2.7Å; R564-E566 PolarHBondContact NH1-OE1 2.77Å | |||
| 567 | W | 23.6 | Very low | 24.8 | Very low | 224 Ų | 224 | 153 Ų | 153 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | 73.9 | 147.3 | 104.7 | -59.9 | 116.5 | 0 | 0 | 0 | 113.3 | |||||
| 568 | D | 25.5 | Very low | 25 | Very low | 105 Ų | 105 | 156 Ų | 156 | 56% | 0.561 | 80% | 0.796 | S | S | * | * | cis | -163.9 | 173.4 | 14.7 | -135.5 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 569 | H | 27.1 | Very low | 25.2 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 64 | 128.2 | 155.4 | -63.3 | 2.1 | 0 | 0 | 0 | 120.1 | ||||
| 570 | A | 24.7 | Very low | 25.3 | Very low | 104 Ų | 104 | 154.1 Ų | 154.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | 83.7 | 148.7 | 74.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 571 | G | 24 | Very low | 25.4 | Very low | 70 Ų | 70 | 152.6 Ų | 152.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | cis | 172.2 | 165.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 572 | E | 24.9 | Very low | 25.5 | Very low | 201 Ų | 201 | 152 Ų | 152 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | 62.9 | 139.1 | 168.2 | -63.7 | 175.1 | 152.6 | 0 | 0 | 120.5 | ||||
| 573 | E | 25.5 | Very low | 25.6 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | -164.7 | 147.4 | 124.3 | -124.6 | 175.6 | -158.1 | 0 | 0 | 112.4 | |||||
| 574 | D | 26.1 | Very low | 25.5 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 178.2 | 168.3 | -71.9 | -64.3 | 0 | 0 | 0 | 110.2 | ||||
| 575 | G | 25.5 | Very low | 25.6 | Very low | 66 Ų | 66 | 145.6 Ų | 145.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | cis | 144.6 | 155.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 576 | D | 25.9 | Very low | 25.8 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 60.1 | 138 | 168.7 | -151.8 | 5.2 | 0 | 0 | 0 | 119.5 | ||||
| 577 | H | 29.3 | Very low | 25.8 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -159.2 | 109.1 | 154.5 | -108.9 | 35.2 | 0 | 0 | 0 | 110.3 | ||||
| 578 | N | 27.4 | Very low | 26 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -95 | 165.2 | -174.3 | -141.8 | -36.7 | 0 | 0 | 0 | 112.4 | ||||
| 579 | R | 28.2 | Very low | 26 | Very low | 231 Ų | 231 | 145.9 Ų | 145.9 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -135 | 109 | -157.3 | -168.6 | -172.7 | -168.7 | -176.9 | 6.3 | 116 | ||||
| 580 | T | 25.1 | Very low | 26 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -157.4 | 143.6 | 168.8 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 581 | E | 26.7 | Very low | 26.2 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | cis | -149.5 | -165.9 | -13.7 | -138.7 | -135 | -52.4 | 0 | 0 | 105.3 | ||||
| 582 | S | 24.8 | Very low | 26.2 | Very low | 77 Ų | 77 | 151.1 Ų | 151.1 | 54% | 0.538 | 81% | 0.81 | S | S | . | * | cis | -151 | 175.7 | 9.1 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 583 | R | 25.5 | Very low | 26.3 | Very low | 230 Ų | 230 | 146 Ų | 146 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 1 | 134.6 | 152.4 | -68.8 | 164.3 | 170.1 | 166.8 | -2.1 | 119.4 | ||||
| 584 | G | 22.8 | Very low | 26.2 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -140 | 139.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 585 | N | 25.4 | Very low | 26.1 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -155 | 134.3 | 165.9 | -152.1 | -3.2 | 0 | 0 | 0 | 112.9 | ||||
| 586 | A | 27.9 | Very low | 26.1 | Very low | 78 Ų | 78 | 150.5 Ų | 150.5 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | 75 | 135.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 587 | T | 25.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | 84.6 | 126.9 | 156.4 | 61.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 588 | R | 27.1 | Very low | 26.3 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 94% | 0.94 | 77% | 0.773 | S | S | * | * | trans | 54 | 121.6 | 155.4 | -75 | 178.8 | 159.5 | 144 | -6.3 | 118.3 | ||||
| 589 | G | 26 | Very low | 26.3 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -96.3 | 166.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 590 | D | 27.5 | Very low | 26.4 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -151.1 | -174.1 | 135.9 | -103.7 | -35.9 | 0 | 0 | 0 | 107.8 | ||||
| 591 | S | 28 | Very low | 26.6 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -86.7 | -172.6 | -165.5 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 592 | E | 25.6 | Very low | 26.9 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 84.2 | 81.3 | 162.5 | -54.5 | -166.4 | 141.3 | 0 | 0 | 118.7 | ||||
| 593 | S | 25.6 | Very low | 27.1 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | 40.8 | 139.7 | 111.6 | 67 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 594 | M | 23.1 | Very low | 27.6 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | 91.4 | 119.4 | 129.2 | -92.9 | 171.7 | 16.3 | 0 | 0 | 121.8 | |||||
| 595 | W | 25.2 | Very low | 28.8 | Very low | 216 Ų | 216 | 139 Ų | 139 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 81.8 | 159.7 | 143.4 | -58.9 | 130.8 | 0 | 0 | 0 | 122.1 | ||||
| 596 | E | 25.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 93 | 134.6 | 154.7 | -53.6 | -143.7 | 129.2 | 0 | 0 | 119.6 | ||||
| 597 | Q | 30.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | cis | -167.3 | 166.4 | -29.8 | -126.9 | -168.5 | 96.2 | 0 | 0 | 109.6 | ||||
| 598 | Q | 27.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 60.1 | 152.7 | 178.4 | -84 | 74.7 | 55.8 | 0 | 0 | 117.4 | ||||
| 599 | G | 28.5 | Very low | 32.2 | Very low | 62 Ų | 62 | 140.6 Ų | 140.6 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 172.5 | 158.8 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 600 | D | 30.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | 64.9 | 148.8 | 166.3 | -54 | -13.9 | 0 | 0 | 0 | 118.7 | ||||
| 601 | M | 27.7 | Very low | 34.3 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | cis | -171.6 | 156.6 | -21 | -103.2 | -166.2 | -90.5 | 0 | 0 | 106.1 | ||||
| 602 | A | 34.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | cis | -168.1 | -179 | -13.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 603 | M | 28.6 | Very low | 36.9 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | 70.9 | 145.2 | 179.1 | -67.9 | 172.4 | 168.3 | 0 | 0 | 116.3 | ||||
| 604 | D | 36.9 | Very low | 38.3 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -130.5 | 158.7 | -0.4 | -113.2 | -18.2 | 0 | 0 | 0 | 111.3 | ||||
| 605 | P | 46.4 | Very low | 40.1 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -87.7 | 179.6 | 174.7 | 37.7 | -34.3 | 0 | 0 | 0 | 112.9 | ||||
| 606 | D | 46.9 | Very low | 41.8 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 81 | 47.4 | 168 | -55.6 | -10.9 | 0 | 0 | 0 | 118.5 | ||||
| 607 | E | 43.1 | Very low | 43.3 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | -122.8 | 131.7 | 136 | -75.4 | -157.9 | 143.8 | 0 | 0 | 110.4 | D609 | E607-D609 PolarHBondContact O-N 2.97Š| ||
| 608 | E | 46.4 | Very low | 45 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -78.2 | 98.2 | 177.2 | -69.2 | -172.5 | 131.7 | 0 | 0 | 110.3 | L610 | E608-L610 VanDerWaalsContact C-N 3.27Å; E608-L610 HydrophobicContact CB-CG 4.45Å; E608-L610 PolarHBondContact O-N 3.35Å | ||
| 609 | D | 41 | Very low | 46.8 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -68.1 | 86.7 | 169.2 | -175.6 | 13.6 | 0 | 0 | 0 | 110.4 | E607 T611 | E607-D609 PolarHBondContact O-N 2.97Å; D609-T611 PolarHBondContact O-N 3.37Å; D609-T611 WeakPolarHBondContact OD2-CG2 3.46Å | ||
| 610 | L | 49.6 | Very low | 48.7 | Very low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 57.4 | 176.2 | -72.8 | 173.1 | 0 | 0 | 0 | 111.8 | E608 P612 | E608-L610 VanDerWaalsContact C-N 3.27Å; E608-L610 HydrophobicContact CB-CG 4.45Å; E608-L610 PolarHBondContact O-N 3.35Å; L610-P612 VanDerWaalsContact O-CD 3.28Å; L610-P612 WeakPolarHBondContact O-CD 3.4Å; L610-P612 VanDerWaalsContact O-N 3.16Å | ||
| 611 | T | 48.9 | Very low | 50.8 | Low | 101 Ų | 101 | 138.4 Ų | 138.4 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 117.2 | 166.3 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | D609 A613 | D609-T611 PolarHBondContact O-N 3.37Å; D609-T611 WeakPolarHBondContact OD2-CG2 3.46Å; T611-A613 PolarHBondContact O-N 2.88Å |
| 612 | P | 52.3 | Low | 53.1 | Low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 127.5 | -178.7 | -25.7 | 35.5 | 0 | 0 | 0 | 110.6 | L610 | L610-P612 VanDerWaalsContact O-CD 3.28Å; L610-P612 WeakPolarHBondContact O-CD 3.4Å; L610-P612 VanDerWaalsContact O-N 3.16Å |
| 613 | A | 55.6 | Low | 55.1 | Low | 81 Ų | 81 | 144.2 Ų | 144.2 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T611 V615 | T611-A613 PolarHBondContact O-N 2.88Å; A613-V615 PolarHBondContact O-N 3.44Å |
| 614 | P | 54.9 | Low | 57.5 | Low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -58.9 | 114.5 | -171.3 | 21.6 | -33.2 | 0 | 0 | 0 | 111.1 | F616 | P614-F616 HydrophobicContact CB-CE2 4.46Å; P614-F616 HydrophobicContact CG-CE2 4.09Å; P614-F616 HydrophobicContact CG-CZ 4.25Å; P614-F616 VanDerWaalsContact O-CD2 3.23Å; P614-F616 WeakPolarHBondContact O-CD2 3.32Å; P614-F616 PolarHBondContact O-N 2.89Å | ||
| 615 | V | 60.8 | Low | 59.4 | Low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -73.9 | 93.5 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | A613 D617 | A613-V615 PolarHBondContact O-N 3.44Å; V615-D617 PolarHBondContact O-N 3.45Å | ||
| 616 | F | 60.9 | Low | 61 | Low | 174 Ų | 174 | 137.6 Ų | 137.6 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.2 | 171.6 | -63.9 | -81.1 | 0 | 0 | 0 | 110.2 | P614 T618 | P614-F616 HydrophobicContact CB-CE2 4.46Å; P614-F616 HydrophobicContact CG-CE2 4.09Å; P614-F616 HydrophobicContact CG-CZ 4.25Å; P614-F616 VanDerWaalsContact O-CD2 3.23Å; P614-F616 WeakPolarHBondContact O-CD2 3.32Å; P614-F616 PolarHBondContact O-N 2.89Å; F616-T618 PolarHBondContact O-N 3.47Å |
| 617 | D | 57.3 | Low | 62.4 | Low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.8 | 172.6 | -82.4 | -44.5 | 0 | 0 | 0 | 111 | V615 R619 | V615-D617 PolarHBondContact O-N 3.45Å; D617-R619 PolarHBondContact O-N 2.96Å |
| 618 | T | 66.8 | Low | 63.6 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 80% | 0.798 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.1 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | F616 V620 | F616-T618 PolarHBondContact O-N 3.47Å; T618-V620 PolarHBondContact O-N 3.06Å |
| 619 | R | 64.8 | Low | 64.5 | Low | 247 Ų | 247 | 127.3 Ų | 127.3 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | trans | -54.8 | 112.6 | -177.9 | -80.9 | -174.4 | 171.3 | -172.7 | -2.1 | 111 | D617 N621 | D617-R619 PolarHBondContact O-N 2.96Å; R619-N621 PolarHBondContact O-N 2.77Å | ||
| 620 | V | 68.4 | Low | 65.7 | Low | 95 Ų | 95 | 129.8 Ų | 129.8 | 58% | 0.576 | 68% | 0.679 | S | S | * | * | trans | -56.1 | 118.3 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | T618 W622 | T618-V620 PolarHBondContact O-N 3.06Å; V620-W622 HydrophobicContact CB-CZ2 4.25Å; V620-W622 HydrophobicContact CG1-CD2 3.86Å; V620-W622 HydrophobicContact CG1-CE3 4.23Å; V620-W622 HydrophobicContact CG1-CG 4.34Å; V620-W622 HydrophobicContact CG1-CH2 4.23Å; V620-W622 HydrophobicContact CG1-CZ2 3.86Å; V620-W622 HydrophobicContact CG1-CZ3 4.4Å; V620-W622 PolarHBondContact O-N 3.21Å; V620-W622 VanDerWaalsContact O-N 3.16Å | ||
| 621 | N | 75.5 | Confident | 66.5 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | trans | -84.2 | 85.8 | 176.1 | -176.9 | 9.1 | 0 | 0 | 0 | 110.4 | R619 N623 Q624 | R619-N621 PolarHBondContact O-N 2.77Å; N621-N623 PolarHBondContact O-N 3.03Å; N621-N623 PolarHBondContact OD1-N 3.26Å; N621-Q624 HydrophobicContact CB-CB 4.2Å; N621-Q624 VanDerWaalsContact O-CB 3.27Å; N621-Q624 WeakPolarHBondContact O-CB 3.08Å; N621-Q624 PolarHBondContact O-N 3.49Å | ||
| 622 | W | 75.6 | Confident | 67.4 | Low | 223 Ų | 223 | 123 Ų | 123 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13 | 178.6 | -60.9 | 102.9 | 0 | 0 | 0 | 115 | V620 | V620-W622 HydrophobicContact CB-CZ2 4.25Å; V620-W622 HydrophobicContact CG1-CD2 3.86Å; V620-W622 HydrophobicContact CG1-CE3 4.23Å; V620-W622 HydrophobicContact CG1-CG 4.34Å; V620-W622 HydrophobicContact CG1-CH2 4.23Å; V620-W622 HydrophobicContact CG1-CZ2 3.86Å; V620-W622 HydrophobicContact CG1-CZ3 4.4Å; V620-W622 PolarHBondContact O-N 3.21Å; V620-W622 VanDerWaalsContact O-N 3.16Å |
| 623 | N | 76.9 | Confident | 68.1 | Low | 145 Ų | 145 | 118.4 Ų | 118.4 | 78% | 0.775 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 1.3 | 175.5 | -65 | -9 | 0 | 0 | 0 | 113.2 | N621 T625 | N621-N623 PolarHBondContact O-N 3.03Å; N621-N623 PolarHBondContact OD1-N 3.26Å; N623-T625 PolarHBondContact O-N 2.67Å |
| 624 | Q | 77.7 | Confident | 68.7 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | trans | -80.5 | 109.5 | -177.5 | -171 | 172.8 | 8.2 | 0 | 0 | 111.7 | F308 N621 | F308-Q624 HydrophobicContact CD1-CG 3.8Å; F308-Q624 HydrophobicContact CE1-CG 4.32Å; F308-Q624 HydrophobicContact CG-CG 4.48Å; F308-Q624 VanDerWaalsContact CG-NE2 3.34Å; N621-Q624 HydrophobicContact CB-CB 4.2Å; N621-Q624 VanDerWaalsContact O-CB 3.27Å; N621-Q624 WeakPolarHBondContact O-CB 3.08Å; N621-Q624 PolarHBondContact O-N 3.49Å | ||
| 625 | T | 78.4 | Confident | 69.3 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | trans | -85.9 | 164.8 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | D309 N623 | D309-T625 PolarHBondContact N-O 3.11Å; D309-T625 VanDerWaalsContact OD2-CB 3.23Å; D309-T625 WeakPolarHBondContact OD2-CB 3.46Å; D309-T625 PolarHBondContact OD2-OG1 3.3Å; N623-T625 PolarHBondContact O-N 2.67Å | ||
| 626 | F | 80.1 | Confident | 69.7 | Low | 98 Ų | 98 | 114.9 Ų | 114.9 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -145.5 | 144.3 | 176 | 57.7 | -87 | 0 | 0 | 0 | 111.5 | M306 R307 F308 D309 V628 | M306-F626 HydrophobicContact CB-CD2 3.88Å; M306-F626 HydrophobicContact CB-CE2 4.45Å; M306-F626 HydrophobicContact CG-CD2 4.1Å; M306-F626 HydrophobicContact CG-CE2 4.18Å; M306-F626 HydrophobicContact SD-CD2 4.05Å; M306-F626 HydrophobicContact SD-CE2 3.65Å; M306-F626 HydrophobicContact SD-CZ 4.27Å; R307-F626 CarbonylContact O-C 3.2Å; R307-F626 VanDerWaalsContact O-CA 3.26Å; R307-F626 WeakPolarHBondContact O-CA 3.45Å; R307-F626 WeakPolarHBondContact O-CB 3.36Å; F308-F626 HydrophobicContact CD1-CB 3.99Å; D309-F626 PolarHBondContact OD2-N 3.43Å; F626-V628 HydrophobicContact CD2-CG2 3.56Å; F626-V628 HydrophobicContact CE2-CG2 3.47Å; F626-V628 VanDerWaalsContact CE2-CG2 3.47Å |
| 627 | Q | 74.5 | Confident | 70.4 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.1 | 173.5 | -63.8 | 174.9 | 30.1 | 0 | 0 | 109.9 | M306 R307 D309 | M306-Q627 WeakPolarHBondContact CA-O 3.39Å; R307-Q627 PolarHBondContact N-O 2.78Å; R307-Q627 PolarHBondContact O-N 3.37Å; D309-Q627 WeakPolarHBondContact OD1-CG 3.26Å; D309-Q627 PolarHBondContact OD1-NE2 3.37Å |
| 628 | V | 69.9 | Low | 71.4 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.3 | 179.1 | -176 | 0 | 0 | 0 | 0 | 109.4 | M306 F626 | M306-V628 HydrophobicContact CG-CG2 4.36Å; F626-V628 HydrophobicContact CD2-CG2 3.56Å; F626-V628 HydrophobicContact CE2-CG2 3.47Å; F626-V628 VanDerWaalsContact CE2-CG2 3.47Å |
| 629 | N | 65.2 | Low | 72 | Confident | 90 Ų | 90 | 97.9 Ų | 97.9 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | trans | -75.9 | 142.9 | 168.8 | -69.7 | -55.3 | 0 | 0 | 0 | 110.2 | Y305 L631 | Y305-N629 PolarHBondContact O-N 3.07Å; N629-L631 PolarHBondContact O-N 2.66Å | ||
| 630 | H | 66 | Low | 72.7 | Confident | 187 Ų | 187 | 92.6 Ų | 92.6 | 87% | 0.866 | 46% | 0.458 | S | S | * | . | trans | -58.1 | 110.2 | 175.1 | 178.6 | -77.3 | 0 | 0 | 0 | 110.8 | ||||
| 631 | L | 65.4 | Low | 73.1 | Confident | 51 Ų | 51 | 89.2 Ų | 89.2 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | trans | -115.1 | 103.5 | -177.1 | 177.9 | 62.9 | 0 | 0 | 0 | 109.8 | Y305 N629 L633 | Y305-L631 HydrophobicContact CD1-CD1 3.88Å; Y305-L631 HydrophobicContact CD1-CD2 3.95Å; Y305-L631 HydrophobicContact CD1-CG 4.4Å; Y305-L631 HydrophobicContact CD2-CD2 3.8Å; Y305-L631 HydrophobicContact CE1-CD1 3.71Å; Y305-L631 HydrophobicContact CE1-CD2 4.29Å; Y305-L631 HydrophobicContact CE2-CD2 4.15Å; Y305-L631 HydrophobicContact CG-CD1 4.48Å; Y305-L631 HydrophobicContact CG-CD2 3.69Å; N629-L631 PolarHBondContact O-N 2.66Å; L631-L633 HydrophobicContact CD1-CD2 4.3Å; L631-L633 HydrophobicContact CD2-CD2 3.86Å; L631-L633 HydrophobicContact CD2-CG 4.47Å; L631-L633 HydrophobicContact CG-CD2 4.02Å; L631-L633 HydrophobicContact CG-CG 4.38Å | ||
| 632 | D | 68.6 | Low | 73.2 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | trans | -87.4 | 116.9 | 159.1 | 174.6 | 26.2 | 0 | 0 | 0 | 108.9 | Q634 S635 | D632-Q634 WeakPolarHBondContact OD1-CB 3.36Å; D632-Q634 PolarHBondContact OD1-N 2.9Å; D632-S635 PolarHBondContact O-OG 3.36Å; D632-S635 WeakPolarHBondContact OD2-CB 3.42Å; D632-S635 PolarHBondContact OD2-N 2.87Å | ||
| 633 | L | 67.6 | Low | 73.1 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -70.6 | -30.3 | 175.6 | -70.3 | 175.8 | 0 | 0 | 0 | 112.2 | F289 Y290 L631 S635 R636 | F289-L633 HydrophobicContact CB-CB 3.97Å; F289-L633 HydrophobicContact CB-CD2 4.07Å; F289-L633 HydrophobicContact CB-CG 4.4Å; F289-L633 HydrophobicContact CD1-CB 4.12Å; F289-L633 VanDerWaalsContact CD1-O 3.24Å; F289-L633 WeakPolarHBondContact CD1-O 3.42Å; F289-L633 HydrophobicContact CG-CB 3.95Å; Y290-L633 HydrophobicContact CE1-CD2 4.16Å; L631-L633 HydrophobicContact CD1-CD2 4.3Å; L631-L633 HydrophobicContact CD2-CD2 3.86Å; L631-L633 HydrophobicContact CD2-CG 4.47Å; L631-L633 HydrophobicContact CG-CD2 4.02Å; L631-L633 HydrophobicContact CG-CG 4.38Å; L633-S635 VanDerWaalsContact C-N 3.33Å; L633-S635 PolarHBondContact O-N 2.78Å; L633-R636 WeakPolarHBondContact O-CB 3.11Å; L633-R636 PolarHBondContact O-N 3.3Å |
| 634 | Q | 66.8 | Low | 73.1 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 5% | 0.051 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -65.8 | -37.6 | 177.7 | -71.7 | -73.6 | 16.8 | 0 | 0 | 111.3 | F289 D632 R636 R637 S648 L652 | F289-Q634 HydrophobicContact CE1-CG 4.49Å; D632-Q634 WeakPolarHBondContact OD1-CB 3.36Å; D632-Q634 PolarHBondContact OD1-N 2.9Å; Q634-R636 PolarHBondContact O-N 2.96Å; Q634-R637 PolarHBondContact O-N 2.91Å; Q634-R637 VanDerWaalsContact O-N 3.11Å; Q634-S648 PolarHBondContact NE2-O 2.69Å; Q634-L652 HydrophobicContact CB-CB 4.21Å; Q634-L652 HydrophobicContact CB-CD1 3.91Å; Q634-L652 HydrophobicContact CB-CG 3.91Å; Q634-L652 HydrophobicContact CG-CD1 3.84Å; Q634-L652 HydrophobicContact CG-CG 3.97Å |
| 635 | S | 67.2 | Low | 73.1 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -60.4 | -7.8 | 171.5 | 79.4 | 0 | 0 | 0 | 0 | 115.6 | D632 L633 | D632-S635 PolarHBondContact O-OG 3.36Å; D632-S635 WeakPolarHBondContact OD2-CB 3.42Å; D632-S635 PolarHBondContact OD2-N 2.87Å; L633-S635 VanDerWaalsContact C-N 3.33Å; L633-S635 PolarHBondContact O-N 2.78Å |
| 636 | R | 70.2 | Confident | 73.5 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -96.6 | -13.1 | 177 | -60.8 | -60.4 | -177.1 | 176.2 | -6.4 | 114.1 | L633 Q634 | L633-R636 WeakPolarHBondContact O-CB 3.11Å; L633-R636 PolarHBondContact O-N 3.3Å; Q634-R636 PolarHBondContact O-N 2.96Å |
| 637 | R | 76.6 | Confident | 73.9 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 5% | 0.053 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -82.3 | 143 | -179 | -170.5 | 175.4 | 167.3 | -142.9 | 5 | 111 | F289 Q634 S648 G649 L651 Y943 | F289-R637 HydrophobicContact CD1-CB 4.44Å; F289-R637 HydrophobicContact CE1-CB 4.49Å; Q634-R637 PolarHBondContact O-N 2.91Å; Q634-R637 VanDerWaalsContact O-N 3.11Å; R637-S648 PolarHBondContact NH1-OG 3.13Å; R637-S648 PolarHBondContact NH2-OG 2.86Å; R637-G649 PolarHBondContact NH1-O 2.9Å; R637-L651 HydrophobicContact CB-CD2 3.78Å; R637-L651 HydrophobicContact CG-CD2 3.71Å; R637-Y943 PolarHBondContact NH2-OH 3.18Å |
| 638 | S | 77.8 | Confident | 74.3 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | trans | -69.8 | 158.7 | 173.2 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | L651 | S638-L651 WeakPolarHBondContact O-CD1 3.32Š| ||
| 639 | D | 78.8 | Confident | 75.3 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -75.4 | -10.1 | 166 | 55.9 | -24.7 | 0 | 0 | 0 | 113.4 | Q267 L268 Y270 L651 | Q267-D639 CarbonylContact C-O 3.56Å; Q267-D639 WeakPolarHBondContact CA-O 3.43Å; L268-D639 PolarHBondContact N-O 3.06Å; Y270-D639 HydrophobicContact CE2-CB 3.96Å; D639-L651 HydrophobicContact CB-CD1 4.36Å |
| 640 | W | 79.1 | Confident | 76.6 | Confident | 135 Ų | 135 | 52.3 Ų | 52.3 | 51% | 0.511 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 143.9 | 174.4 | -71.3 | 67 | 0 | 0 | 0 | 111.8 | Q264 D642 | Q264-W640 WeakPolarHBondContact O-CZ3 3.34Å; W640-D642 PolarHBondContact O-N 3.19Å |
| 641 | I | 77.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | trans | -75.3 | 98.9 | 176.9 | -67.6 | -179.8 | 0 | 0 | 0 | 110.1 | V266 L268 L643 V893 R941 | V266-I641 HydrophobicContact CB-CD1 3.97Å; V266-I641 HydrophobicContact CG1-CD1 3.72Å; V266-I641 WeakPolarHBondContact O-CD1 3.45Å; V266-I641 VanDerWaalsContact O-CG1 3.31Å; V266-I641 WeakPolarHBondContact O-CG1 3.46Å; L268-I641 HydrophobicContact CD1-CG1 4.36Å; L268-I641 HydrophobicContact CD2-CD1 3.95Å; L268-I641 HydrophobicContact CD2-CG1 3.76Å; L268-I641 HydrophobicContact CG-CD1 4.37Å; L268-I641 HydrophobicContact CG-CG1 3.68Å; I641-L643 HydrophobicContact CG2-CD2 3.73Å; I641-L643 HydrophobicContact CG2-CG 4.47Å; I641-L643 PolarHBondContact O-N 3.09Å; I641-V893 HydrophobicContact CG2-CG1 3.45Å; I641-V893 VanDerWaalsContact CG2-CG1 3.45Å; I641-R941 HydrophobicContact CD1-CB 4.45Å; I641-R941 HydrophobicContact CD1-CG 4.5Å | ||
| 642 | D | 77.3 | Confident | 79 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -74.7 | 102.4 | 163 | 177.7 | 0.5 | 0 | 0 | 0 | 109.6 | W640 S644 C645 | W640-D642 PolarHBondContact O-N 3.19Å; D642-S644 PolarHBondContact O-N 3.06Å; D642-S644 WeakPolarHBondContact OD1-CA 3.31Å; D642-S644 WeakPolarHBondContact OD1-CB 3.2Å; D642-S644 PolarHBondContact OD1-N 2.94Å; D642-S644 PolarHBondContact OD1-OG 3.49Å; D642-S644 PolarHBondContact OD2-OG 2.92Å; D642-C645 HydrophobicContact CB-CB 3.94Å; D642-C645 PolarHBondContact O-N 3.08Å; D642-C645 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 643 | L | 74.3 | Confident | 80.1 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | 178.5 | -59.7 | 175.4 | 0 | 0 | 0 | 113.3 | I641 V893 N894 | I641-L643 HydrophobicContact CG2-CD2 3.73Å; I641-L643 HydrophobicContact CG2-CG 4.47Å; I641-L643 PolarHBondContact O-N 3.09Å; L643-V893 HydrophobicContact CD2-CG1 4.42Å; L643-N894 VanDerWaalsContact CB-OD1 3.31Å; L643-N894 WeakPolarHBondContact CB-OD1 3.22Å; L643-N894 WeakPolarHBondContact CD2-OD1 3.42Å; L643-N894 PolarHBondContact O-OD1 2.76Å |
| 644 | S | 75.5 | Confident | 81.2 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -18.3 | 174.1 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | D642 N646 | D642-S644 PolarHBondContact O-N 3.06Å; D642-S644 WeakPolarHBondContact OD1-CA 3.31Å; D642-S644 WeakPolarHBondContact OD1-CB 3.2Å; D642-S644 PolarHBondContact OD1-N 2.94Å; D642-S644 PolarHBondContact OD1-OG 3.49Å; D642-S644 PolarHBondContact OD2-OG 2.92Å; S644-N646 PolarHBondContact O-N 2.96Å; S644-N646 VanDerWaalsContact O-N 3.11Å |
| 645 | C | 79.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -92.9 | 69.6 | -165.6 | -171.9 | 0 | 0 | 0 | 0 | 114 | C288 D642 V647 S648 | C288-C645 HydrophobicContact CB-CB 3.56Å; C288-C645 WeakPolarHBondContact CB-SG 3.16Å; C288-C645 WeakPolarHBondContact SG-CB 3.4Å; C288-C645 CovalentContact SG-SG 2.03Å; C288-C645 PolarHBondContact SG-SG 3.32Å; D642-C645 HydrophobicContact CB-CB 3.94Å; D642-C645 PolarHBondContact O-N 3.08Å; D642-C645 WeakPolarHBondContact OD2-CB 3.5Å; C645-V647 PolarHBondContact O-N 3.04Å; C645-S648 PolarHBondContact O-OG 3.49Å; C645-S648 VanDerWaalsContact O-OG 3.13Å; C645-S648 WeakPolarHBondContact SG-CB 3.36Å; C645-S648 PolarHBondContact SG-OG 2.98Å | ||
| 646 | N | 86.4 | Confident | 83.5 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.4 | -168.6 | 69.6 | 2.8 | 0 | 0 | 0 | 117.2 | N286 S644 Y890 W891 | N286-N646 PolarHBondContact ND2-OD1 3.48Å; S644-N646 PolarHBondContact O-N 2.96Å; S644-N646 VanDerWaalsContact O-N 3.11Å; N646-Y890 HydrophobicContact CB-CD2 4.36Å; N646-W891 WeakPolarHBondContact O-CB 3.23Å; N646-W891 PolarHBondContact O-N 2.87Å |
| 647 | V | 87.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -7.7 | 179 | -67.7 | 0 | 0 | 0 | 0 | 115.3 | L279 M282 E283 N286 C645 G649 | L279-V647 HydrophobicContact CB-CB 4.17Å; L279-V647 HydrophobicContact CB-CG1 4.37Å; L279-V647 HydrophobicContact CD1-CB 4.49Å; L279-V647 HydrophobicContact CD1-CG1 4.29Å; L279-V647 PolarHBondContact N-O 2.88Å; M282-V647 HydrophobicContact CB-CG1 4.12Å; E283-V647 HydrophobicContact CG-CB 4.48Å; E283-V647 HydrophobicContact CG-CG2 4.12Å; N286-V647 HydrophobicContact CB-CG2 3.56Å; N286-V647 VanDerWaalsContact ND2-CG1 3.31Å; N286-V647 WeakPolarHBondContact ND2-CG1 3.42Å; N286-V647 WeakPolarHBondContact ND2-CG2 3.35Å; C645-V647 PolarHBondContact O-N 3.04Å; V647-G649 PolarHBondContact O-N 2.95Å |
| 648 | S | 83.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -77.2 | -23.6 | -161.2 | 49.5 | 0 | 0 | 0 | 0 | 116.6 | Q634 R637 C645 | Q634-S648 PolarHBondContact NE2-O 2.69Å; R637-S648 PolarHBondContact NH1-OG 3.13Å; R637-S648 PolarHBondContact NH2-OG 2.86Å; C645-S648 PolarHBondContact O-OG 3.49Å; C645-S648 VanDerWaalsContact O-OG 3.13Å; C645-S648 WeakPolarHBondContact SG-CB 3.36Å; C645-S648 PolarHBondContact SG-OG 2.98Å | ||
| 649 | G | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 71.1 | -165.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T277 R637 V647 Y943 | T277-G649 WeakPolarHBondContact O-CA 3.42Å; T277-G649 WeakPolarHBondContact OG1-CA 3.44Å; R637-G649 PolarHBondContact NH1-O 2.9Å; V647-G649 PolarHBondContact O-N 2.95Å; G649-Y943 WeakPolarHBondContact O-CD2 3.43Å; G649-Y943 WeakPolarHBondContact O-CE2 3.44Å | ||
| 650 | N | 92.3 | Very high | 87 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -68.4 | 153.2 | 175.2 | -70.8 | -62 | 0 | 0 | 0 | 112.2 | I271 D275 T277 I942 Y943 | I271-N650 HydrophobicContact CB-CB 4.35Å; I271-N650 HydrophobicContact CD1-CB 3.91Å; I271-N650 HydrophobicContact CG1-CB 4.19Å; D275-N650 WeakPolarHBondContact OD2-CB 3.34Å; D275-N650 PolarHBondContact OD2-ND2 3.1Å; T277-N650 PolarHBondContact OG1-N 2.79Å; N650-I942 WeakPolarHBondContact OD1-CA 3.32Å; N650-Y943 HydrophobicContact CB-CD2 4.41Å; N650-Y943 PolarHBondContact ND2-N 3.26Å; N650-Y943 PolarHBondContact ND2-O 3.16Å; N650-Y943 WeakPolarHBondContact OD1-CD2 3.41Å; N650-Y943 PolarHBondContact OD1-N 3.01Å |
| 651 | L | 91 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141.7 | 175.3 | -61.5 | 170.4 | 0 | 0 | 0 | 110.3 | L268 Y270 I271 R637 S638 D639 | L268-L651 HydrophobicContact CB-CD1 3.68Å; L268-L651 HydrophobicContact CB-CG 4.39Å; L268-L651 HydrophobicContact CD1-CD1 4.15Å; L268-L651 HydrophobicContact CD1-CG 4.3Å; Y270-L651 CarbonylContact C-O 3.45Å; Y270-L651 WeakPolarHBondContact CA-O 3.39Å; Y270-L651 HydrophobicContact CD1-CB 3.57Å; Y270-L651 HydrophobicContact CD1-CD1 4.41Å; Y270-L651 HydrophobicContact CE1-CB 3.89Å; Y270-L651 HydrophobicContact CE1-CD1 4.11Å; Y270-L651 HydrophobicContact CE2-CD1 4.3Å; Y270-L651 HydrophobicContact CG-CB 4.05Å; I271-L651 PolarHBondContact N-O 2.8Å; R637-L651 HydrophobicContact CB-CD2 3.78Å; R637-L651 HydrophobicContact CG-CD2 3.71Å; S638-L651 WeakPolarHBondContact O-CD1 3.32Å; D639-L651 HydrophobicContact CB-CD1 4.36Å |
| 652 | L | 91.4 | Very high | 88.7 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.1 | -178.5 | -61 | -173.8 | 0 | 0 | 0 | 112 | N274 Q634 | N274-L652 HydrophobicContact CB-CD1 4.34Å; N274-L652 HydrophobicContact CB-CD2 3.8Å; Q634-L652 HydrophobicContact CB-CB 4.21Å; Q634-L652 HydrophobicContact CB-CD1 3.91Å; Q634-L652 HydrophobicContact CB-CG 3.91Å; Q634-L652 HydrophobicContact CG-CD1 3.84Å; Q634-L652 HydrophobicContact CG-CG 3.97Å |
| 653 | L | 91.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -78 | 131.9 | 170.6 | 177.1 | 58.6 | 0 | 0 | 0 | 110.1 | I271 D657 A658 V685 K687 Y697 | I271-L653 PolarHBondContact O-N 3.14Å; L653-D657 HydrophobicContact CD1-CB 3.78Å; L653-D657 HydrophobicContact CG-CB 4.37Å; L653-A658 HydrophobicContact CD2-CB 3.77Å; L653-A658 HydrophobicContact CG-CB 4.12Å; L653-V685 HydrophobicContact CD2-CB 4.5Å; L653-V685 HydrophobicContact CD2-CG1 3.8Å; L653-K687 HydrophobicContact CD1-CB 4.39Å; L653-K687 HydrophobicContact CD1-CD 3.45Å; L653-K687 VanDerWaalsContact CD1-CD 3.45Å; L653-K687 HydrophobicContact CD2-CB 3.87Å; L653-K687 HydrophobicContact CD2-CD 4.25Å; L653-K687 HydrophobicContact CG-CD 4.5Å; L653-Y697 HydrophobicContact CD2-CE1 4.29Å |
| 654 | N | 90.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 37 Ų | 37 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 127.5 | 176 | -176.3 | -8.8 | 0 | 0 | 0 | 110.9 | S656 D657 A658 | N654-S656 PolarHBondContact ND2-OG 3.41Å; N654-S656 PolarHBondContact O-N 2.59Å; N654-S656 VanDerWaalsContact O-N 3.09Å; N654-S656 PolarHBondContact OD1-N 3.09Å; N654-S656 PolarHBondContact OD1-OG 3.29Å; N654-S656 VanDerWaalsContact OD1-OG 3.13Å; N654-D657 PolarHBondContact O-N 3.12Å; N654-A658 PolarHBondContact O-N 2.84Å |
| 655 | P | 91.8 | Very high | 91.5 | Very high | 68 Ų | 68 | 33 Ų | 33 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -51.3 | -31.8 | 177.3 | -27.5 | 32.4 | 0 | 0 | 0 | 114.7 | Y272 L659 | Y272-P655 HydrophobicContact CD2-CB 4.3Å; Y272-P655 HydrophobicContact CD2-CG 4.13Å; Y272-P655 HydrophobicContact CE2-CB 3.7Å; Y272-P655 HydrophobicContact CE2-CG 3.76Å; P655-L659 VanDerWaalsContact O-CB 3.27Å; P655-L659 WeakPolarHBondContact O-CB 3.49Å; P655-L659 VanDerWaalsContact O-CG 3.25Å; P655-L659 WeakPolarHBondContact O-CG 3.09Å; P655-L659 PolarHBondContact O-N 2.84Å |
| 656 | S | 91.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 43% | 0.427 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | N654 T660 | N654-S656 PolarHBondContact ND2-OG 3.41Å; N654-S656 PolarHBondContact O-N 2.59Å; N654-S656 VanDerWaalsContact O-N 3.09Å; N654-S656 PolarHBondContact OD1-N 3.09Å; N654-S656 PolarHBondContact OD1-OG 3.29Å; N654-S656 VanDerWaalsContact OD1-OG 3.13Å; S656-T660 VanDerWaalsContact O-CB 3.26Å; S656-T660 WeakPolarHBondContact O-CB 3.23Å; S656-T660 PolarHBondContact O-N 3.18Å; S656-T660 VanDerWaalsContact O-N 3.11Å; S656-T660 PolarHBondContact O-OG1 3.12Å |
| 657 | D | 91.2 | Very high | 92.7 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.1 | -50.7 | -178.6 | -70.9 | 36.7 | 0 | 0 | 0 | 110.1 | L653 N654 T660 V661 K687 | L653-D657 HydrophobicContact CD1-CB 3.78Å; L653-D657 HydrophobicContact CG-CB 4.37Å; N654-D657 PolarHBondContact O-N 3.12Å; D657-T660 PolarHBondContact O-N 2.73Å; D657-V661 WeakPolarHBondContact O-CG2 3.25Å; D657-V661 PolarHBondContact O-N 3.31Å; D657-K687 IonicContact OD2-NZ 3.76Å; D657-K687 PolarHBondContact OD2-NZ 2.66Å |
| 658 | A | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y272 L653 N654 V661 V662 V685 | Y272-A658 HydrophobicContact CD1-CB 3.38Å; Y272-A658 HydrophobicContact CD2-CB 4.31Å; Y272-A658 HydrophobicContact CE1-CB 4.01Å; Y272-A658 HydrophobicContact CG-CB 3.56Å; L653-A658 HydrophobicContact CD2-CB 3.77Å; L653-A658 HydrophobicContact CG-CB 4.12Å; N654-A658 PolarHBondContact O-N 2.84Å; A658-V661 PolarHBondContact O-N 3.34Å; A658-V662 VanDerWaalsContact O-CG2 3.32Å; A658-V662 WeakPolarHBondContact O-CG2 3.48Å; A658-V662 PolarHBondContact O-N 3.06Å; A658-V685 HydrophobicContact CB-CB 4.41Å; A658-V685 HydrophobicContact CB-CG1 4.22Å |
| 659 | L | 95.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | -177 | -66.7 | 175.4 | 0 | 0 | 0 | 112.3 | Y272 P655 V661 V662 Y663 V682 | Y272-L659 HydrophobicContact CE1-CD2 4.07Å; Y272-L659 HydrophobicContact CE1-CG 4.33Å; P655-L659 VanDerWaalsContact O-CB 3.27Å; P655-L659 WeakPolarHBondContact O-CB 3.49Å; P655-L659 VanDerWaalsContact O-CG 3.25Å; P655-L659 WeakPolarHBondContact O-CG 3.09Å; P655-L659 PolarHBondContact O-N 2.84Å; L659-V661 VanDerWaalsContact C-N 3.33Å; L659-V661 PolarHBondContact O-N 3.12Å; L659-V662 PolarHBondContact O-N 3.03Å; L659-Y663 HydrophobicContact CB-CD2 4.17Å; L659-Y663 HydrophobicContact CB-CE2 3.83Å; L659-Y663 HydrophobicContact CD2-CE2 4.33Å; L659-Y663 HydrophobicContact CG-CE2 4.5Å; L659-Y663 WeakPolarHBondContact O-CB 3.15Å; L659-Y663 WeakPolarHBondContact O-CD2 3.41Å; L659-Y663 PolarHBondContact O-N 3.29Å; L659-V682 HydrophobicContact CD2-CG2 4.15Å |
| 660 | T | 94.5 | Very high | 93.7 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.9 | -44.6 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | S656 D657 A664 | S656-T660 VanDerWaalsContact O-CB 3.26Å; S656-T660 WeakPolarHBondContact O-CB 3.23Å; S656-T660 PolarHBondContact O-N 3.18Å; S656-T660 VanDerWaalsContact O-N 3.11Å; S656-T660 PolarHBondContact O-OG1 3.12Å; D657-T660 PolarHBondContact O-N 2.73Å; T660-A664 VanDerWaalsContact O-CB 3.28Å; T660-A664 WeakPolarHBondContact O-CB 3.47Å; T660-A664 PolarHBondContact O-N 2.73Å; T660-A664 VanDerWaalsContact O-N 3.13Å |
| 661 | V | 95.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -43 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | D657 A658 L659 F665 Y697 L699 I717 T719 L742 | D657-V661 WeakPolarHBondContact O-CG2 3.25Å; D657-V661 PolarHBondContact O-N 3.31Å; A658-V661 PolarHBondContact O-N 3.34Å; L659-V661 VanDerWaalsContact C-N 3.33Å; L659-V661 PolarHBondContact O-N 3.12Å; V661-F665 WeakPolarHBondContact O-CB 3.35Å; V661-F665 PolarHBondContact O-N 2.89Å; V661-F665 VanDerWaalsContact O-N 3.08Å; V661-Y697 HydrophobicContact CG1-CD1 4.23Å; V661-Y697 HydrophobicContact CG1-CG 4.24Å; V661-Y697 HydrophobicContact CG2-CE1 4.05Å; V661-Y697 HydrophobicContact CG2-CE2 4.33Å; V661-L699 HydrophobicContact CG1-CD2 4.26Å; V661-I717 HydrophobicContact CG1-CD1 3.52Å; V661-T719 HydrophobicContact CG2-CG2 4.2Å; V661-L742 HydrophobicContact CG1-CD2 4.16Å |
| 662 | V | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 178.2 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | A658 L659 F665 M666 L679 V682 V685 L699 L701 | A658-V662 VanDerWaalsContact O-CG2 3.32Å; A658-V662 WeakPolarHBondContact O-CG2 3.48Å; A658-V662 PolarHBondContact O-N 3.06Å; L659-V662 PolarHBondContact O-N 3.03Å; V662-F665 PolarHBondContact O-N 3.4Å; V662-M666 HydrophobicContact CG1-CG 4.38Å; V662-M666 WeakPolarHBondContact O-CB 3.17Å; V662-M666 WeakPolarHBondContact O-CG 3.42Å; V662-M666 PolarHBondContact O-N 2.82Å; V662-L679 HydrophobicContact CG1-CD2 3.88Å; V662-V682 HydrophobicContact CG1-CG2 4.01Å; V662-V682 HydrophobicContact CG2-CG1 4.45Å; V662-V682 HydrophobicContact CG2-CG2 4.39Å; V662-V685 HydrophobicContact CG2-CG2 3.92Å; V662-L699 HydrophobicContact CG2-CD1 4.27Å; V662-L699 HydrophobicContact CG2-CD2 3.9Å; V662-L701 HydrophobicContact CG1-CD1 4.15Å; V662-L701 HydrophobicContact CG1-CD2 3.85Å; V662-L701 HydrophobicContact CG2-CD2 4.02Å |
| 663 | Y | 95.8 | Very high | 94.1 | Very high | 127 Ų | 127 | 54.7 Ų | 54.7 | 50% | 0.498 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | -179.2 | -66.1 | -47 | 0 | 0 | 0 | 111.5 | L659 F665 M666 D667 L679 | L659-Y663 HydrophobicContact CB-CD2 4.17Å; L659-Y663 HydrophobicContact CB-CE2 3.83Å; L659-Y663 HydrophobicContact CD2-CE2 4.33Å; L659-Y663 HydrophobicContact CG-CE2 4.5Å; L659-Y663 WeakPolarHBondContact O-CB 3.15Å; L659-Y663 WeakPolarHBondContact O-CD2 3.41Å; L659-Y663 PolarHBondContact O-N 3.29Å; Y663-F665 PolarHBondContact O-N 2.74Å; Y663-M666 PolarHBondContact O-N 3.02Å; Y663-D667 VanDerWaalsContact O-CG 3.28Å; Y663-D667 PolarHBondContact O-N 3.07Å; Y663-L679 HydrophobicContact CE1-CD2 4.11Å |
| 664 | A | 94.8 | Very high | 94.1 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -28.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T660 R668 L742 | T660-A664 VanDerWaalsContact O-CB 3.28Å; T660-A664 WeakPolarHBondContact O-CB 3.47Å; T660-A664 PolarHBondContact O-N 2.73Å; T660-A664 VanDerWaalsContact O-N 3.13Å; A664-R668 WeakPolarHBondContact O-CG 3.26Å; A664-L742 HydrophobicContact CB-CD1 3.53Å |
| 665 | F | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.9 | -45.9 | 169.1 | 177 | -92.5 | 0 | 0 | 0 | 112.4 | L237 I240 L241 V661 V662 Y663 D667 R668 L669 L699 L713 H715 I717 | L237-F665 HydrophobicContact CD2-CZ 4.45Å; I240-F665 HydrophobicContact CD1-CE2 4.22Å; I240-F665 HydrophobicContact CD1-CZ 3.83Å; I240-F665 HydrophobicContact CG2-CD2 4.39Å; I240-F665 HydrophobicContact CG2-CE2 4.03Å; I240-F665 HydrophobicContact CG2-CZ 4.5Å; L241-F665 HydrophobicContact CD1-CD2 4.11Å; L241-F665 HydrophobicContact CD1-CE2 4.48Å; L241-F665 HydrophobicContact CG-CD2 4.3Å; V661-F665 WeakPolarHBondContact O-CB 3.35Å; V661-F665 PolarHBondContact O-N 2.89Å; V661-F665 VanDerWaalsContact O-N 3.08Å; V662-F665 PolarHBondContact O-N 3.4Å; Y663-F665 PolarHBondContact O-N 2.74Å; F665-D667 VanDerWaalsContact C-N 3.3Å; F665-D667 PolarHBondContact O-N 2.92Å; F665-R668 PolarHBondContact O-N 3.08Å; F665-L669 PolarHBondContact O-N 3.3Å; F665-L699 HydrophobicContact CB-CD1 3.99Å; F665-L699 HydrophobicContact CD1-CD1 4.1Å; F665-L699 HydrophobicContact CG-CD1 3.99Å; F665-L713 HydrophobicContact CE1-CD1 3.67Å; F665-L713 HydrophobicContact CE1-CD2 4.23Å; F665-L713 HydrophobicContact CZ-CD1 4.11Å; F665-H715 AromaticContact CE2-CD2 3.7Å; F665-H715 AromaticContact CZ-CD2 3.79Å; F665-I717 HydrophobicContact CD2-CG2 4.07Å; F665-I717 HydrophobicContact CE2-CG2 4.16Å |
| 666 | M | 96.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.044 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 178.8 | -75.9 | -59.5 | -55.2 | 0 | 0 | 112.9 | V662 Y663 L669 N670 F677 L679 L701 L703 | V662-M666 HydrophobicContact CG1-CG 4.38Å; V662-M666 WeakPolarHBondContact O-CB 3.17Å; V662-M666 WeakPolarHBondContact O-CG 3.42Å; V662-M666 PolarHBondContact O-N 2.82Å; Y663-M666 PolarHBondContact O-N 3.02Å; M666-L669 HydrophobicContact CE-CD2 3.82Å; M666-L669 PolarHBondContact O-N 2.82Å; M666-L669 HydrophobicContact SD-CD2 3.76Å; M666-N670 WeakPolarHBondContact O-CB 3.25Å; M666-N670 PolarHBondContact O-N 2.95Å; M666-N670 PolarHBondContact O-ND2 2.99Å; M666-F677 HydrophobicContact CE-CB 4.47Å; M666-F677 WeakPolarHBondContact CE-O 3.39Å; M666-L679 HydrophobicContact CE-CB 4.19Å; M666-L701 HydrophobicContact CG-CD1 4.37Å; M666-L701 HydrophobicContact SD-CD1 4.02Å; M666-L703 HydrophobicContact CE-CD2 3.81Å; M666-L703 HydrophobicContact SD-CD1 4.42Å; M666-L703 HydrophobicContact SD-CD2 3.67Å |
| 667 | D | 94.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 174.2 | -71.3 | -24.7 | 0 | 0 | 0 | 110.8 | Y663 F665 N670 E671 | Y663-D667 VanDerWaalsContact O-CG 3.28Å; Y663-D667 PolarHBondContact O-N 3.07Å; F665-D667 VanDerWaalsContact C-N 3.3Å; F665-D667 PolarHBondContact O-N 2.92Å; D667-N670 PolarHBondContact O-N 2.84Å; D667-E671 VanDerWaalsContact O-CB 3.25Å; D667-E671 WeakPolarHBondContact O-CB 3.27Å; D667-E671 PolarHBondContact O-N 3.49Å |
| 668 | R | 94.4 | Very high | 94.5 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 176.2 | -65 | -58.6 | -173.3 | -176.5 | -2.4 | 112.8 | I240 L241 A664 F665 N670 E671 K672 | I240-R668 HydrophobicContact CG2-CB 3.52Å; L241-R668 HydrophobicContact CD2-CB 4.4Å; L241-R668 HydrophobicContact CD2-CG 4.22Å; A664-R668 WeakPolarHBondContact O-CG 3.26Å; F665-R668 PolarHBondContact O-N 3.08Å; R668-N670 VanDerWaalsContact C-N 3.31Å; R668-N670 PolarHBondContact O-N 2.94Å; R668-E671 WeakPolarHBondContact CD-OE2 3.45Å; R668-E671 IonicContact CZ-OE2 2.71Å; R668-E671 IonicContact NE-OE2 3.84Å; R668-E671 IonicContact NH1-OE1 2.64Å; R668-E671 PolarHBondContact NH1-OE1 2.85Å; R668-E671 IonicContact NH1-OE2 3.7Å; R668-E671 PolarHBondContact NH1-OE2 3.41Å; R668-K672 WeakPolarHBondContact O-CB 3.37Å; R668-K672 PolarHBondContact O-N 3.43Å |
| 669 | L | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 172.9 | 177 | 71.1 | 0 | 0 | 0 | 110.6 | I240 F665 M666 H673 F677 L703 | I240-L669 HydrophobicContact CD1-CB 4.17Å; I240-L669 HydrophobicContact CD1-CD1 3.36Å; I240-L669 HydrophobicContact CD1-CG 4.35Å; I240-L669 HydrophobicContact CG1-CD1 4.36Å; F665-L669 PolarHBondContact O-N 3.3Å; M666-L669 HydrophobicContact CE-CD2 3.82Å; M666-L669 PolarHBondContact O-N 2.82Å; M666-L669 HydrophobicContact SD-CD2 3.76Å; L669-H673 WeakPolarHBondContact O-CB 3.4Å; L669-H673 PolarHBondContact O-CD2 3.1Å; L669-H673 PolarHBondContact O-N 3.37Å; L669-F677 HydrophobicContact CD1-CD2 3.93Å; L669-F677 HydrophobicContact CD1-CE2 4.24Å; L669-F677 HydrophobicContact CD2-CB 3.83Å; L669-F677 HydrophobicContact CD2-CD2 3.99Å; L669-F677 HydrophobicContact CD2-CG 4.14Å; L669-F677 HydrophobicContact CG-CB 4.45Å; L669-F677 HydrophobicContact CG-CD2 3.88Å; L669-L703 HydrophobicContact CD2-CD1 3.99Å |
| 670 | N | 94.2 | Very high | 94.6 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -84.2 | -28 | -176.6 | -80.2 | -42.5 | 0 | 0 | 0 | 114.7 | M666 D667 R668 K672 K674 G675 R676 F677 | M666-N670 WeakPolarHBondContact O-CB 3.25Å; M666-N670 PolarHBondContact O-N 2.95Å; M666-N670 PolarHBondContact O-ND2 2.99Å; D667-N670 PolarHBondContact O-N 2.84Å; R668-N670 VanDerWaalsContact C-N 3.31Å; R668-N670 PolarHBondContact O-N 2.94Å; N670-K672 VanDerWaalsContact C-N 3.29Å; N670-K674 CarbonylContact O-C 3.58Å; N670-K674 VanDerWaalsContact O-CA 3.25Å; N670-K674 WeakPolarHBondContact O-CA 3.39Å; N670-K674 PolarHBondContact O-N 2.86Å; N670-G675 PolarHBondContact O-N 2.7Å; N670-G675 VanDerWaalsContact OD1-C 3.23Å; N670-G675 VanDerWaalsContact OD1-CA 3.27Å; N670-G675 WeakPolarHBondContact OD1-CA 3.23Å; N670-R676 PolarHBondContact OD1-N 2.61Å; N670-F677 PolarHBondContact ND2-O 2.92Å; N670-F677 PolarHBondContact OD1-N 3.37Å; N670-F677 VanDerWaalsContact OD1-N 3.08Å; N670-F677 PolarHBondContact OD1-O 3.43Å |
| 671 | E | 94.3 | Very high | 94.6 | Very high | 131 Ų | 131 | 65 Ų | 65 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.6 | -46.7 | 165.9 | 179.9 | -177.1 | -147.6 | 0 | 0 | 109.7 | D667 R668 | D667-E671 VanDerWaalsContact O-CB 3.25Å; D667-E671 WeakPolarHBondContact O-CB 3.27Å; D667-E671 PolarHBondContact O-N 3.49Å; R668-E671 WeakPolarHBondContact CD-OE2 3.45Å; R668-E671 IonicContact CZ-OE2 2.71Å; R668-E671 IonicContact NE-OE2 3.84Å; R668-E671 IonicContact NH1-OE1 2.64Å; R668-E671 PolarHBondContact NH1-OE1 2.85Å; R668-E671 IonicContact NH1-OE2 3.7Å; R668-E671 PolarHBondContact NH1-OE2 3.41Å |
| 672 | K | 93.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 179.1 | -171 | 166.3 | -167.2 | 166.7 | 0 | 113.7 | Q238 G239 I240 R668 N670 | Q238-K672 PolarHBondContact O-NZ 2.91Å; G239-K672 VanDerWaalsContact C-NZ 3.31Å; G239-K672 PolarHBondContact O-NZ 2.83Å; I240-K672 HydrophobicContact CG1-CD 4.46Å; R668-K672 WeakPolarHBondContact O-CB 3.37Å; R668-K672 PolarHBondContact O-N 3.43Å; N670-K672 VanDerWaalsContact C-N 3.29Å |
| 673 | H | 93.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -102.7 | 17.8 | -174 | -59.3 | -66.6 | 0 | 0 | 0 | 114.2 | F236 L669 G675 R676 F677 | F236-H673 AromaticContact CD1-CE1 3.78Å; F236-H673 PolarHBondContact O-NE2 3.1Å; L669-H673 WeakPolarHBondContact O-CB 3.4Å; L669-H673 PolarHBondContact O-CD2 3.1Å; L669-H673 PolarHBondContact O-N 3.37Å; H673-G675 PolarHBondContact O-N 3.47Å; H673-R676 HydrophobicContact CB-CB 4.04Å; H673-R676 VanDerWaalsContact O-CB 3.23Å; H673-R676 WeakPolarHBondContact O-CB 3.33Å; H673-R676 PolarHBondContact O-N 2.9Å; H673-F677 HydrophobicContact CB-CD2 4.24Å; H673-F677 HydrophobicContact CB-CE2 4.05Å; H673-F677 AromaticContact CD2-CE2 3.9Å; H673-F677 AromaticContact CG-CE2 3.98Å |
| 674 | K | 91.3 | Very high | 94.7 | Very high | 200 Ų | 200 | 60.5 Ų | 60.5 | 87% | 0.87 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 45.8 | 175.7 | -53.5 | -176.4 | -179 | -175.8 | 0 | 114.4 | N670 R676 | N670-K674 CarbonylContact O-C 3.58Å; N670-K674 VanDerWaalsContact O-CA 3.25Å; N670-K674 WeakPolarHBondContact O-CA 3.39Å; N670-K674 PolarHBondContact O-N 2.86Å; K674-R676 VanDerWaalsContact C-N 3.31Å; K674-R676 PolarHBondContact O-N 2.96Å |
| 675 | G | 89.7 | Confident | 94.9 | Very high | 46 Ų | 46 | 58.8 Ų | 58.8 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 14.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N670 H673 F677 | N670-G675 PolarHBondContact O-N 2.7Å; N670-G675 VanDerWaalsContact OD1-C 3.23Å; N670-G675 VanDerWaalsContact OD1-CA 3.27Å; N670-G675 WeakPolarHBondContact OD1-CA 3.23Å; H673-G675 PolarHBondContact O-N 3.47Å; G675-F677 VanDerWaalsContact C-N 3.26Å; G675-F677 PolarHBondContact O-N 2.87Å |
| 676 | R | 93.2 | Very high | 95 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 33% | 0.328 | 29% | 0.288 | S | S | . | . | trans | -58.6 | -30.7 | -176.8 | 175.7 | 173.9 | 178.6 | 164.2 | 4.3 | 114.5 | N670 H673 K674 D705 A706 | N670-R676 PolarHBondContact OD1-N 2.61Å; H673-R676 HydrophobicContact CB-CB 4.04Å; H673-R676 VanDerWaalsContact O-CB 3.23Å; H673-R676 WeakPolarHBondContact O-CB 3.33Å; H673-R676 PolarHBondContact O-N 2.9Å; K674-R676 VanDerWaalsContact C-N 3.31Å; K674-R676 PolarHBondContact O-N 2.96Å; R676-D705 VanDerWaalsContact CG-OD1 3.23Å; R676-D705 WeakPolarHBondContact CG-OD1 3.48Å; R676-D705 IonicContact CZ-OD1 3.92Å; R676-D705 IonicContact CZ-OD2 2.85Å; R676-D705 IonicContact NE-OD1 2.74Å; R676-D705 PolarHBondContact NE-OD1 2.86Å; R676-D705 IonicContact NE-OD2 3.62Å; R676-D705 IonicContact NH2-OD1 2.8Å; R676-D705 PolarHBondContact NH2-OD1 2.64Å; R676-D705 IonicContact NH2-OD2 3.51Å; R676-D705 PolarHBondContact NH2-OD2 2.96Å; R676-A706 HydrophobicContact CG-CB 4.31Å; R676-A706 PolarHBondContact O-N 3.27Å; R676-A706 VanDerWaalsContact O-N 3.15Å | ||
| 677 | F | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116 | -170 | -60.5 | -71.8 | 0 | 0 | 0 | 111.3 | I232 F236 M666 L669 N670 H673 G675 L703 L711 | I232-F677 HydrophobicContact CD1-CD1 4.2Å; I232-F677 HydrophobicContact CD1-CE1 3.83Å; I232-F677 HydrophobicContact CD1-CE2 4.41Å; I232-F677 HydrophobicContact CD1-CZ 3.94Å; F236-F677 HydrophobicContact CB-CE2 4.36Å; F236-F677 HydrophobicContact CB-CZ 4.32Å; F236-F677 HydrophobicContact CD1-CE2 4.27Å; F236-F677 HydrophobicContact CD1-CZ 4.04Å; F236-F677 AromaticContact CD2-CZ 3.98Å; F236-F677 HydrophobicContact CD2-CZ 3.98Å; F236-F677 HydrophobicContact CE1-CZ 4.37Å; F236-F677 HydrophobicContact CE2-CZ 4.3Å; F236-F677 HydrophobicContact CG-CE2 4.24Å; F236-F677 AromaticContact CG-CZ 3.85Å; F236-F677 HydrophobicContact CG-CZ 3.85Å; F236-F677 HydrophobicContact CZ-CZ 4.5Å; M666-F677 HydrophobicContact CE-CB 4.47Å; M666-F677 WeakPolarHBondContact CE-O 3.39Å; L669-F677 HydrophobicContact CD1-CD2 3.93Å; L669-F677 HydrophobicContact CD1-CE2 4.24Å; L669-F677 HydrophobicContact CD2-CB 3.83Å; L669-F677 HydrophobicContact CD2-CD2 3.99Å; L669-F677 HydrophobicContact CD2-CG 4.14Å; L669-F677 HydrophobicContact CG-CB 4.45Å; L669-F677 HydrophobicContact CG-CD2 3.88Å; N670-F677 PolarHBondContact ND2-O 2.92Å; N670-F677 PolarHBondContact OD1-N 3.37Å; N670-F677 VanDerWaalsContact OD1-N 3.08Å; N670-F677 PolarHBondContact OD1-O 3.43Å; H673-F677 HydrophobicContact CB-CD2 4.24Å; H673-F677 HydrophobicContact CB-CE2 4.05Å; H673-F677 AromaticContact CD2-CE2 3.9Å; H673-F677 AromaticContact CG-CE2 3.98Å; G675-F677 VanDerWaalsContact C-N 3.26Å; G675-F677 PolarHBondContact O-N 2.87Å; F677-L703 HydrophobicContact CB-CD1 4.38Å; F677-L711 HydrophobicContact CE1-CD1 4.16Å |
| 678 | T | 95.5 | Very high | 94.9 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.8 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | L703 K704 | T678-L703 CarbonylContact O-C 2.92Å; T678-L703 WeakPolarHBondContact O-CA 3.13Å; T678-K704 PolarHBondContact N-O 3.29Å; T678-K704 PolarHBondContact O-N 2.64Å; T678-K704 PolarHBondContact OG1-O 3Å; T678-K704 VanDerWaalsContact OG1-O 3.1Å |
| 679 | L | 96.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 51 Ų | 51 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126 | 173.5 | 178.9 | 62.5 | 0 | 0 | 0 | 109.2 | V662 Y663 M666 V682 L701 L703 | V662-L679 HydrophobicContact CG1-CD2 3.88Å; Y663-L679 HydrophobicContact CE1-CD2 4.11Å; M666-L679 HydrophobicContact CE-CB 4.19Å; L679-V682 HydrophobicContact CD2-CG2 4.29Å; L679-L701 HydrophobicContact CD1-CB 3.97Å; L679-L701 HydrophobicContact CD1-CD1 4.31Å; L679-L701 HydrophobicContact CD1-CD2 4.11Å; L679-L701 HydrophobicContact CD1-CG 4.36Å; L679-L703 HydrophobicContact CB-CD2 4.34Å; L679-L703 HydrophobicContact CD1-CD2 3.79Å |
| 680 | V | 95.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -49.6 | 176 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | E702 K704 L710 | V680-E702 HydrophobicContact CB-CB 4.3Å; V680-E702 HydrophobicContact CB-CG 4.19Å; V680-E702 WeakPolarHBondContact CB-O 3.39Å; V680-E702 WeakPolarHBondContact CG1-OE2 3.12Å; V680-E702 PolarHBondContact N-O 2.89Å; V680-K704 HydrophobicContact CG2-CB 3.56Å; V680-L710 HydrophobicContact CG2-CD2 4.01Å |
| 681 | R | 95.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.9 | 171.8 | 74.9 | -169.8 | 96.2 | 173.3 | 13.5 | 112.3 | L683 E702 | R681-L683 HydrophobicContact CG-CD2 3.85Å; R681-L683 HydrophobicContact CG-CG 3.95Å; R681-E702 HydrophobicContact CG-CB 3.87Å; R681-E702 IonicContact CZ-OE1 3.66Å; R681-E702 IonicContact CZ-OE2 2.69Å; R681-E702 PolarHBondContact N-O 2.03Å; R681-E702 IonicContact NE-OE1 2.71Å; R681-E702 IonicContact NE-OE2 3.38Å; R681-E702 PolarHBondContact NE-OE2 2.62Å; R681-E702 IonicContact NH2-OE1 3.87Å; R681-E702 PolarHBondContact NH2-OE1 3.35Å; R681-E702 VanDerWaalsContact NH2-OE1 3.12Å; R681-E702 IonicContact NH2-OE2 3.29Å; R681-E702 PolarHBondContact NH2-OE2 3.06Å; R681-E702 PolarHBondContact O-N 2.8Å |
| 682 | V | 97.2 | Very high | 93.8 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.8 | 163.4 | -175 | 0 | 0 | 0 | 0 | 107.4 | Y272 L659 V662 L679 V685 L701 | Y272-V682 HydrophobicContact CD1-CG1 4.08Å; Y272-V682 HydrophobicContact CE1-CB 4.29Å; Y272-V682 HydrophobicContact CE1-CG1 3.96Å; L659-V682 HydrophobicContact CD2-CG2 4.15Å; V662-V682 HydrophobicContact CG1-CG2 4.01Å; V662-V682 HydrophobicContact CG2-CG1 4.45Å; V662-V682 HydrophobicContact CG2-CG2 4.39Å; L679-V682 HydrophobicContact CD2-CG2 4.29Å; V682-V685 HydrophobicContact CG1-CG2 3.5Å; V682-V685 VanDerWaalsContact CG1-CG2 3.5Å; V682-L701 HydrophobicContact CB-CD2 4.22Å; V682-L701 HydrophobicContact CG1-CD2 4Å; V682-L701 HydrophobicContact CG2-CD2 4.01Å |
| 683 | L | 95.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -43.9 | -178.5 | -72.5 | 168 | 0 | 0 | 0 | 111.7 | P222 R223 L226 P273 R681 E700 E702 | P222-L683 HydrophobicContact CB-CD2 3.52Å; R223-L683 VanDerWaalsContact CD-O 3.26Å; R223-L683 WeakPolarHBondContact CD-O 3.33Å; R223-L683 HydrophobicContact CG-CB 4.48Å; R223-L683 WeakPolarHBondContact CG-O 3.38Å; L226-L683 HydrophobicContact CD1-CD1 3.33Å; L226-L683 HydrophobicContact CD2-CD1 3.93Å; L226-L683 HydrophobicContact CG-CD1 4.19Å; P273-L683 WeakPolarHBondContact CD-O 3.32Å; R681-L683 HydrophobicContact CG-CD2 3.85Å; R681-L683 HydrophobicContact CG-CG 3.95Å; L683-E700 HydrophobicContact CB-CB 4.44Å; L683-E700 WeakPolarHBondContact CB-O 3.32Å; L683-E700 PolarHBondContact N-O 3.18Å; L683-E702 HydrophobicContact CD1-CB 4.07Å; L683-E702 HydrophobicContact CG-CB 4.48Å |
| 684 | N | 97 | Very high | 93.3 | Very high | 14 Ų | 14 | 52 Ų | 52 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 143.5 | 179.7 | -169.4 | 17.7 | 0 | 0 | 0 | 109.9 | Y272 V686 E700 | Y272-N684 CarbonylContact O-C 3.57Å; Y272-N684 WeakPolarHBondContact O-CA 3.37Å; N684-V686 WeakPolarHBondContact ND2-CG2 3.38Å; N684-E700 HydrophobicContact CB-CB 3.85Å; N684-E700 HydrophobicContact CB-CG 3.98Å; N684-E700 WeakPolarHBondContact CB-OE2 3.25Å; N684-E700 PolarHBondContact N-O 2.92Å; N684-E700 VanDerWaalsContact N-O 3.15Å; N684-E700 PolarHBondContact ND2-OE2 3.38Å; N684-E700 PolarHBondContact O-N 2.99Å |
| 685 | V | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 103.5 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | I271 Y272 L653 A658 V662 V682 Y697 L698 L699 | I271-V685 WeakPolarHBondContact CA-O 3.12Å; Y272-V685 HydrophobicContact CD1-CB 4.49Å; Y272-V685 HydrophobicContact CD1-CG2 4.28Å; Y272-V685 PolarHBondContact N-O 3.09Å; Y272-V685 PolarHBondContact O-N 3.17Å; L653-V685 HydrophobicContact CD2-CB 4.5Å; L653-V685 HydrophobicContact CD2-CG1 3.8Å; A658-V685 HydrophobicContact CB-CB 4.41Å; A658-V685 HydrophobicContact CB-CG1 4.22Å; V662-V685 HydrophobicContact CG2-CG2 3.92Å; V682-V685 HydrophobicContact CG1-CG2 3.5Å; V682-V685 VanDerWaalsContact CG1-CG2 3.5Å; V685-Y697 HydrophobicContact CG1-CD1 3.97Å; V685-L698 VanDerWaalsContact CA-O 3.29Å; V685-L698 WeakPolarHBondContact CA-O 3.07Å; V685-L699 HydrophobicContact CG1-CD2 3.91Å; V685-L699 HydrophobicContact CG2-CD2 4.03Å |
| 686 | V | 97.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 112.2 | -179.7 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | Y270 I271 N684 Y697 L698 I942 | Y270-V686 CarbonylContact O-C 3.03Å; Y270-V686 WeakPolarHBondContact O-CA 3.16Å; I271-V686 HydrophobicContact CD1-CG2 4.38Å; I271-V686 HydrophobicContact CG1-CG1 4.46Å; I271-V686 HydrophobicContact CG1-CG2 4.27Å; N684-V686 WeakPolarHBondContact ND2-CG2 3.38Å; V686-Y697 CarbonylContact O-C 3.51Å; V686-Y697 VanDerWaalsContact O-CA 3.25Å; V686-Y697 WeakPolarHBondContact O-CA 3.49Å; V686-L698 HydrophobicContact CB-CB 4.09Å; V686-L698 HydrophobicContact CG2-CB 4.47Å; V686-L698 PolarHBondContact N-O 3.11Å; V686-L698 PolarHBondContact O-N 3.35Å; V686-I942 HydrophobicContact CG1-CD1 4.05Å; V686-I942 HydrophobicContact CG2-CD1 4.45Å |
| 687 | K | 96.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.7 | 178.7 | 177.4 | -171.7 | -175.5 | -179.8 | 0 | 110.6 | Y270 L653 D657 V689 R696 Y697 | Y270-K687 PolarHBondContact N-O 3.44Å; Y270-K687 PolarHBondContact O-N 3.2Å; L653-K687 HydrophobicContact CD1-CB 4.39Å; L653-K687 HydrophobicContact CD1-CD 3.45Å; L653-K687 VanDerWaalsContact CD1-CD 3.45Å; L653-K687 HydrophobicContact CD2-CB 3.87Å; L653-K687 HydrophobicContact CD2-CD 4.25Å; L653-K687 HydrophobicContact CG-CD 4.5Å; D657-K687 IonicContact OD2-NZ 3.76Å; D657-K687 PolarHBondContact OD2-NZ 2.66Å; K687-V689 HydrophobicContact CD-CG2 4.39Å; K687-V689 HydrophobicContact CG-CG2 4.34Å; K687-R696 CarbonylContact C-O 3.54Å; K687-R696 WeakPolarHBondContact CA-O 3.45Å; K687-Y697 HydrophobicContact CB-CD1 3.8Å; K687-Y697 HydrophobicContact CB-CE1 3.74Å; K687-Y697 HydrophobicContact CD-CE1 3.67Å; K687-Y697 WeakPolarHBondContact CE-OH 3.09Å; K687-Y697 HydrophobicContact CG-CD1 4.05Å; K687-Y697 HydrophobicContact CG-CE1 3.59Å; K687-Y697 HydrophobicContact CG-CE2 4.28Å |
| 688 | R | 94.7 | Very high | 94 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.6 | 166.8 | -178.6 | 55.5 | 151.2 | -126 | 1.6 | 109.1 | Y250 Q267 S269 S695 R696 V939 E940 | Y250-R688 HydrophobicContact CE1-CG 4.11Å; Y250-R688 VanDerWaalsContact OH-CG 3.26Å; Y250-R688 WeakPolarHBondContact OH-CG 3.38Å; Q267-R688 VanDerWaalsContact O-CZ 3.28Å; Q267-R688 PolarHBondContact O-NH1 2.93Å; Q267-R688 PolarHBondContact O-NH2 2.95Å; S269-R688 PolarHBondContact OG-NH1 3.25Å; S269-R688 VanDerWaalsContact OG-NH1 3.14Å; R688-S695 CarbonylContact O-C 3.51Å; R688-S695 WeakPolarHBondContact O-CA 3.35Å; R688-S695 WeakPolarHBondContact O-CB 3.42Å; R688-R696 HydrophobicContact CB-CB 4.3Å; R688-R696 PolarHBondContact N-O 2.87Å; R688-R696 PolarHBondContact O-N 3.07Å; R688-V939 PolarHBondContact NH2-O 2.96Å; R688-E940 IonicContact NH1-OE1 3.51Å |
| 689 | V | 91.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 26% | 0.255 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -84.3 | 131.8 | -170.2 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | Y250 Y270 K687 | Y250-V689 VanDerWaalsContact CE1-O 3.31Å; Y250-V689 WeakPolarHBondContact CE1-O 3.42Å; Y270-V689 HydrophobicContact CD2-CG2 3.74Å; Y270-V689 HydrophobicContact CE2-CG2 3.62Å; K687-V689 HydrophobicContact CD-CG2 4.39Å; K687-V689 HydrophobicContact CG-CG2 4.34Å |
| 690 | D | 91.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | trans | -138.4 | 122.6 | 156.3 | 154.3 | -8.4 | 0 | 0 | 0 | 106.1 | P248 T249 Y250 Y692 R693 G694 S695 | P248-D690 WeakPolarHBondContact CA-OD2 3.42Å; T249-D690 PolarHBondContact N-OD2 2.87Å; T249-D690 PolarHBondContact OG1-OD2 2.91Å; Y250-D690 HydrophobicContact CD1-CB 4.06Å; Y250-D690 HydrophobicContact CE1-CB 3.7Å; D690-Y692 WeakPolarHBondContact OD1-CA 3.41Å; D690-Y692 PolarHBondContact OD1-N 2.99Å; D690-R693 PolarHBondContact OD1-N 2.71Å; D690-G694 VanDerWaalsContact CB-O 3.25Å; D690-G694 WeakPolarHBondContact CB-O 2.95Å; D690-G694 CarbonylContact O-C 3.58Å; D690-G694 WeakPolarHBondContact O-CA 3.49Å; D690-G694 PolarHBondContact O-N 2.88Å; D690-G694 PolarHBondContact OD1-N 2.83Å; D690-S695 PolarHBondContact N-OG 3.26Å; D690-S695 PolarHBondContact O-N 3.47Å; D690-S695 PolarHBondContact O-OG 3.11Å | ||
| 691 | G | 84.4 | Confident | 94.2 | Very high | 53 Ų | 53 | 28.3 Ų | 28.3 | 55% | 0.546 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -92.1 | -0.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I721 | G691-I721 WeakPolarHBondContact O-CD1 3.42Š|
| 692 | Y | 84.9 | Confident | 94.2 | Very high | 168 Ų | 168 | 23.9 Ų | 23.9 | 66% | 0.659 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -107.3 | -49.4 | -176.1 | -68.7 | -74.6 | 0 | 0 | 0 | 112.2 | T249 D690 H723 | T249-Y692 HydrophobicContact CG2-CD2 4.4Å; T249-Y692 HydrophobicContact CG2-CG 4.42Å; D690-Y692 WeakPolarHBondContact OD1-CA 3.41Å; D690-Y692 PolarHBondContact OD1-N 2.99Å; Y692-H723 PolarHBondContact O-NE2 3.29Å |
| 693 | R | 87.3 | Confident | 94.2 | Very high | 107 Ų | 107 | 22.8 Ų | 22.8 | 40% | 0.404 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -103.9 | -34.1 | 179 | -65.9 | 177 | -177.8 | 169.5 | 5 | 112.2 | N247 P248 T249 D690 I721 | N247-R693 VanDerWaalsContact CG-NH1 3.3Å; N247-R693 WeakPolarHBondContact O-CD 3.4Å; N247-R693 PolarHBondContact O-NH1 3.34Å; N247-R693 PolarHBondContact OD1-NH1 3.04Å; P248-R693 PolarHBondContact O-NH1 2.82Å; T249-R693 HydrophobicContact CG2-CB 4.49Å; T249-R693 HydrophobicContact CG2-CG 3.75Å; D690-R693 PolarHBondContact OD1-N 2.71Å; R693-I721 PolarHBondContact O-N 3.38Å |
| 694 | G | 90.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139 | 160.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D690 Y718 T719 | D690-G694 VanDerWaalsContact CB-O 3.25Å; D690-G694 WeakPolarHBondContact CB-O 2.95Å; D690-G694 CarbonylContact O-C 3.58Å; D690-G694 WeakPolarHBondContact O-CA 3.49Å; D690-G694 PolarHBondContact O-N 2.88Å; D690-G694 PolarHBondContact OD1-N 2.83Å; G694-Y718 PolarHBondContact N-OH 2.97Å; G694-Y718 WeakPolarHBondContact O-CE2 3.07Å; G694-Y718 VanDerWaalsContact O-CZ 3.27Å; G694-Y718 PolarHBondContact O-OH 3.44Å; G694-T719 WeakPolarHBondContact CA-O 3.48Å |
| 695 | S | 93.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144.4 | -175.9 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | R688 D690 Y718 T719 | R688-S695 CarbonylContact O-C 3.51Å; R688-S695 WeakPolarHBondContact O-CA 3.35Å; R688-S695 WeakPolarHBondContact O-CB 3.42Å; D690-S695 PolarHBondContact N-OG 3.26Å; D690-S695 PolarHBondContact O-N 3.47Å; D690-S695 PolarHBondContact O-OG 3.11Å; S695-Y718 VanDerWaalsContact O-CD2 3.24Å; S695-Y718 WeakPolarHBondContact O-CD2 3.5Å; S695-T719 PolarHBondContact N-O 2.74Å; S695-T719 PolarHBondContact O-N 3.13Å; S695-T719 PolarHBondContact O-OG1 3.01Å |
| 696 | R | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 141.3 | 171.8 | 169.5 | 170.3 | 63.3 | 85.1 | 1.4 | 109.9 | Y246 K687 R688 Y716 Y718 F748 M869 E938 E940 | Y246-R696 HydrophobicContact CE2-CB 4.12Å; Y246-R696 HydrophobicContact CE2-CG 4.46Å; Y246-R696 VanDerWaalsContact OH-CD 3.26Å; Y246-R696 WeakPolarHBondContact OH-CD 3.36Å; Y246-R696 PolarHBondContact OH-NE 3.26Å; Y246-R696 VanDerWaalsContact OH-NE 3.07Å; K687-R696 CarbonylContact C-O 3.54Å; K687-R696 WeakPolarHBondContact CA-O 3.45Å; R688-R696 HydrophobicContact CB-CB 4.3Å; R688-R696 PolarHBondContact N-O 2.87Å; R688-R696 PolarHBondContact O-N 3.07Å; R696-Y716 HydrophobicContact CG-CD1 4Å; R696-Y716 HydrophobicContact CG-CE1 4.31Å; R696-Y716 VanDerWaalsContact NH1-CE1 3.28Å; R696-Y718 HydrophobicContact CB-CD2 4.18Å; R696-F748 VanDerWaalsContact CD-CE1 3.42Å; R696-M869 PolarHBondContact NH2-SD 3.32Å; R696-M869 VanDerWaalsContact NH2-SD 3.4Å; R696-E938 IonicContact CZ-OE2 3.17Å; R696-E938 IonicContact NE-OE2 2.68Å; R696-E938 PolarHBondContact NE-OE2 3.13Å; R696-E938 IonicContact NH2-OE2 2.74Å; R696-E938 PolarHBondContact NH2-OE2 3.16Å; R696-E940 IonicContact CZ-OE2 3.65Å; R696-E940 IonicContact NH1-OE2 2.75Å; R696-E940 PolarHBondContact NH1-OE2 3.17Å; R696-E940 IonicContact NH2-OE1 3.26Å; R696-E940 IonicContact NH2-OE2 2.87Å; R696-E940 PolarHBondContact NH2-OE2 3.06Å; R696-E940 VanDerWaalsContact NH2-OE2 3.1Å |
| 697 | Y | 97.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.9 | 173.1 | -62.5 | -107.6 | 0 | 0 | 0 | 110.5 | L653 V661 V685 V686 K687 Y716 I717 T719 | L653-Y697 HydrophobicContact CD2-CE1 4.29Å; V661-Y697 HydrophobicContact CG1-CD1 4.23Å; V661-Y697 HydrophobicContact CG1-CG 4.24Å; V661-Y697 HydrophobicContact CG2-CE1 4.05Å; V661-Y697 HydrophobicContact CG2-CE2 4.33Å; V685-Y697 HydrophobicContact CG1-CD1 3.97Å; V686-Y697 CarbonylContact O-C 3.51Å; V686-Y697 VanDerWaalsContact O-CA 3.25Å; V686-Y697 WeakPolarHBondContact O-CA 3.49Å; K687-Y697 HydrophobicContact CB-CD1 3.8Å; K687-Y697 HydrophobicContact CB-CE1 3.74Å; K687-Y697 HydrophobicContact CD-CE1 3.67Å; K687-Y697 WeakPolarHBondContact CE-OH 3.09Å; K687-Y697 HydrophobicContact CG-CD1 4.05Å; K687-Y697 HydrophobicContact CG-CE1 3.59Å; K687-Y697 HydrophobicContact CG-CE2 4.28Å; Y697-Y716 WeakPolarHBondContact O-CA 3.37Å; Y697-I717 PolarHBondContact N-O 3.23Å; Y697-I717 PolarHBondContact O-N 2.83Å; Y697-T719 HydrophobicContact CD2-CG2 3.99Å; Y697-T719 HydrophobicContact CE2-CG2 3.51Å; Y697-T719 WeakPolarHBondContact CE2-OG1 3.37Å |
| 698 | L | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124 | 156.8 | -175.5 | 57.3 | 0 | 0 | 0 | 107.9 | V685 V686 E700 T714 Y716 K862 | V685-L698 VanDerWaalsContact CA-O 3.29Å; V685-L698 WeakPolarHBondContact CA-O 3.07Å; V686-L698 HydrophobicContact CB-CB 4.09Å; V686-L698 HydrophobicContact CG2-CB 4.47Å; V686-L698 PolarHBondContact N-O 3.11Å; V686-L698 PolarHBondContact O-N 3.35Å; L698-E700 HydrophobicContact CD2-CG 4.39Å; L698-E700 HydrophobicContact CG-CG 4.23Å; L698-T714 HydrophobicContact CD1-CG2 3.91Å; L698-Y716 HydrophobicContact CB-CD1 3.97Å; L698-Y716 HydrophobicContact CB-CE1 3.56Å; L698-Y716 HydrophobicContact CD1-CD1 4.03Å; L698-Y716 HydrophobicContact CD1-CD2 4.1Å; L698-Y716 HydrophobicContact CD1-CE1 3.91Å; L698-Y716 HydrophobicContact CD1-CE2 3.97Å; L698-Y716 HydrophobicContact CD1-CG 4.12Å; L698-Y716 HydrophobicContact CD2-CE1 4.46Å; L698-Y716 HydrophobicContact CG-CE1 4.17Å; L698-K862 HydrophobicContact CD2-CB 4.4Å |
| 699 | L | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | 169.1 | -58.8 | -167.7 | 0 | 0 | 0 | 110 | V661 V662 F665 V685 L701 L713 T714 H715 I717 | V661-L699 HydrophobicContact CG1-CD2 4.26Å; V662-L699 HydrophobicContact CG2-CD1 4.27Å; V662-L699 HydrophobicContact CG2-CD2 3.9Å; F665-L699 HydrophobicContact CB-CD1 3.99Å; F665-L699 HydrophobicContact CD1-CD1 4.1Å; F665-L699 HydrophobicContact CG-CD1 3.99Å; V685-L699 HydrophobicContact CG1-CD2 3.91Å; V685-L699 HydrophobicContact CG2-CD2 4.03Å; L699-L701 HydrophobicContact CB-CG 4.36Å; L699-L701 HydrophobicContact CD1-CD1 4.46Å; L699-L713 HydrophobicContact CB-CD2 4.46Å; L699-T714 CarbonylContact O-C 3.59Å; L699-T714 VanDerWaalsContact O-CA 3.27Å; L699-T714 WeakPolarHBondContact O-CA 3.34Å; L699-H715 PolarHBondContact N-O 2.74Å; L699-H715 PolarHBondContact O-N 2.93Å; L699-I717 HydrophobicContact CD1-CD1 3.52Å; L699-I717 HydrophobicContact CD2-CD1 4.17Å; L699-I717 HydrophobicContact CG-CD1 3.68Å; L699-I717 HydrophobicContact CG-CG1 4.3Å |
| 700 | E | 97.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 112 | 166 | -48.6 | -161.2 | 84 | 0 | 0 | 110.4 | L226 L683 N684 L698 L713 T714 K862 | L226-E700 HydrophobicContact CD2-CB 4.24Å; L226-E700 WeakPolarHBondContact CD2-OE1 3.22Å; L683-E700 HydrophobicContact CB-CB 4.44Å; L683-E700 WeakPolarHBondContact CB-O 3.32Å; L683-E700 PolarHBondContact N-O 3.18Å; N684-E700 HydrophobicContact CB-CB 3.85Å; N684-E700 HydrophobicContact CB-CG 3.98Å; N684-E700 WeakPolarHBondContact CB-OE2 3.25Å; N684-E700 PolarHBondContact N-O 2.92Å; N684-E700 VanDerWaalsContact N-O 3.15Å; N684-E700 PolarHBondContact ND2-OE2 3.38Å; N684-E700 PolarHBondContact O-N 2.99Å; L698-E700 HydrophobicContact CD2-CG 4.39Å; L698-E700 HydrophobicContact CG-CG 4.23Å; E700-L713 CarbonylContact C-O 3.55Å; E700-L713 VanDerWaalsContact CA-O 3.24Å; E700-L713 WeakPolarHBondContact CA-O 3.22Å; E700-T714 HydrophobicContact CG-CG2 4.05Å; E700-T714 PolarHBondContact OE1-OG1 2.8Å; E700-T714 VanDerWaalsContact OE1-OG1 3.1Å; E700-K862 WeakPolarHBondContact OE1-CD 2.99Å; E700-K862 WeakPolarHBondContact OE1-CE 3.24Å; E700-K862 IonicContact OE1-NZ 2.73Å; E700-K862 PolarHBondContact OE1-NZ 2.79Å; E700-K862 IonicContact OE2-NZ 3.37Å |
| 701 | L | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.7 | -172.2 | -52 | 177.4 | 0 | 0 | 0 | 110.4 | V662 M666 L679 V682 L699 L703 R712 L713 | V662-L701 HydrophobicContact CG1-CD1 4.15Å; V662-L701 HydrophobicContact CG1-CD2 3.85Å; V662-L701 HydrophobicContact CG2-CD2 4.02Å; M666-L701 HydrophobicContact CG-CD1 4.37Å; M666-L701 HydrophobicContact SD-CD1 4.02Å; L679-L701 HydrophobicContact CD1-CB 3.97Å; L679-L701 HydrophobicContact CD1-CD1 4.31Å; L679-L701 HydrophobicContact CD1-CD2 4.11Å; L679-L701 HydrophobicContact CD1-CG 4.36Å; V682-L701 HydrophobicContact CB-CD2 4.22Å; V682-L701 HydrophobicContact CG1-CD2 4Å; V682-L701 HydrophobicContact CG2-CD2 4.01Å; L699-L701 HydrophobicContact CB-CG 4.36Å; L699-L701 HydrophobicContact CD1-CD1 4.46Å; L701-L703 HydrophobicContact CB-CD2 3.96Å; L701-L703 HydrophobicContact CB-CG 4.36Å; L701-L703 HydrophobicContact CD1-CD2 4.45Å; L701-R712 WeakPolarHBondContact O-CA 3.37Å; L701-L713 HydrophobicContact CB-CB 4.43Å; L701-L713 HydrophobicContact CD1-CD2 4.32Å; L701-L713 HydrophobicContact CG-CD2 4.49Å; L701-L713 PolarHBondContact N-O 2.69Å; L701-L713 PolarHBondContact O-N 2.81Å |
| 702 | E | 96.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118.9 | 163.1 | -168.4 | -177.3 | -120 | 0 | 0 | 108.2 | V680 R681 L683 L710 | V680-E702 HydrophobicContact CB-CB 4.3Å; V680-E702 HydrophobicContact CB-CG 4.19Å; V680-E702 WeakPolarHBondContact CB-O 3.39Å; V680-E702 WeakPolarHBondContact CG1-OE2 3.12Å; V680-E702 PolarHBondContact N-O 2.89Å; R681-E702 HydrophobicContact CG-CB 3.87Å; R681-E702 IonicContact CZ-OE1 3.66Å; R681-E702 IonicContact CZ-OE2 2.69Å; R681-E702 PolarHBondContact N-O 2.03Å; R681-E702 IonicContact NE-OE1 2.71Å; R681-E702 IonicContact NE-OE2 3.38Å; R681-E702 PolarHBondContact NE-OE2 2.62Å; R681-E702 IonicContact NH2-OE1 3.87Å; R681-E702 PolarHBondContact NH2-OE1 3.35Å; R681-E702 VanDerWaalsContact NH2-OE1 3.12Å; R681-E702 IonicContact NH2-OE2 3.29Å; R681-E702 PolarHBondContact NH2-OE2 3.06Å; R681-E702 PolarHBondContact O-N 2.8Å; L683-E702 HydrophobicContact CD1-CB 4.07Å; L683-E702 HydrophobicContact CG-CB 4.48Å; E702-L710 HydrophobicContact CG-CD2 4.32Å |
| 703 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 155.2 | 178.3 | -54.8 | -174.9 | 0 | 0 | 0 | 110.2 | I232 M666 L669 F677 T678 L679 L701 L710 L711 L713 | I232-L703 HydrophobicContact CD1-CD1 4.28Å; M666-L703 HydrophobicContact CE-CD2 3.81Å; M666-L703 HydrophobicContact SD-CD1 4.42Å; M666-L703 HydrophobicContact SD-CD2 3.67Å; L669-L703 HydrophobicContact CD2-CD1 3.99Å; F677-L703 HydrophobicContact CB-CD1 4.38Å; T678-L703 CarbonylContact O-C 2.92Å; T678-L703 WeakPolarHBondContact O-CA 3.13Å; L679-L703 HydrophobicContact CB-CD2 4.34Å; L679-L703 HydrophobicContact CD1-CD2 3.79Å; L701-L703 HydrophobicContact CB-CD2 3.96Å; L701-L703 HydrophobicContact CB-CG 4.36Å; L701-L703 HydrophobicContact CD1-CD2 4.45Å; L703-L710 CarbonylContact O-C 3.58Å; L703-L710 WeakPolarHBondContact O-CA 2.95Å; L703-L711 PolarHBondContact N-O 2.77Å; L703-L711 PolarHBondContact O-N 3.29Å; L703-L713 HydrophobicContact CD1-CB 3.87Å; L703-L713 HydrophobicContact CD1-CD1 3.77Å; L703-L713 HydrophobicContact CD1-CG 4.49Å; L703-L713 HydrophobicContact CG-CB 4.28Å |
| 704 | K | 95.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 29.3 Ų | 29.3 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.1 | 171.6 | -179.6 | 175.6 | -176.3 | 176.9 | 0 | 109.6 | T678 V680 G708 Q709 L710 | T678-K704 PolarHBondContact N-O 3.29Å; T678-K704 PolarHBondContact O-N 2.64Å; T678-K704 PolarHBondContact OG1-O 3Å; T678-K704 VanDerWaalsContact OG1-O 3.1Å; V680-K704 HydrophobicContact CG2-CB 3.56Å; K704-G708 WeakPolarHBondContact CE-O 3.12Å; K704-Q709 WeakPolarHBondContact CA-O 3.45Å; K704-L710 HydrophobicContact CB-CD2 4.25Å |
| 705 | D | 93.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 163.3 | 177 | -166.9 | 12.7 | 0 | 0 | 0 | 111.1 | R676 N707 G708 Q709 L711 | R676-D705 VanDerWaalsContact CG-OD1 3.23Å; R676-D705 WeakPolarHBondContact CG-OD1 3.48Å; R676-D705 IonicContact CZ-OD1 3.92Å; R676-D705 IonicContact CZ-OD2 2.85Å; R676-D705 IonicContact NE-OD1 2.74Å; R676-D705 PolarHBondContact NE-OD1 2.86Å; R676-D705 IonicContact NE-OD2 3.62Å; R676-D705 IonicContact NH2-OD1 2.8Å; R676-D705 PolarHBondContact NH2-OD1 2.64Å; R676-D705 IonicContact NH2-OD2 3.51Å; R676-D705 PolarHBondContact NH2-OD2 2.96Å; D705-N707 PolarHBondContact O-N 2.86Å; D705-N707 VanDerWaalsContact O-N 3.1Å; D705-G708 WeakPolarHBondContact O-CA 3.49Å; D705-G708 PolarHBondContact O-N 3.12Å; D705-Q709 PolarHBondContact N-O 3.23Å; D705-L711 HydrophobicContact CB-CD1 4.05Å |
| 706 | A | 89.6 | Confident | 95.3 | Very high | 81 Ų | 81 | 29.8 Ų | 29.8 | 67% | 0.669 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R676 G708 | R676-A706 HydrophobicContact CG-CB 4.31Å; R676-A706 PolarHBondContact O-N 3.27Å; R676-A706 VanDerWaalsContact O-N 3.15Å; A706-G708 PolarHBondContact O-N 2.85Å |
| 707 | N | 89.6 | Confident | 95.3 | Very high | 139 Ų | 139 | 29.8 Ų | 29.8 | 74% | 0.743 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.4 | 173.5 | -66.1 | -22 | 0 | 0 | 0 | 113.7 | D705 Q709 | D705-N707 PolarHBondContact O-N 2.86Å; D705-N707 VanDerWaalsContact O-N 3.1Å; N707-Q709 VanDerWaalsContact C-N 3.33Å; N707-Q709 PolarHBondContact O-N 3.47Å |
| 708 | G | 90.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 37% | 0.371 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 83.8 | -2.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K704 D705 A706 | K704-G708 WeakPolarHBondContact CE-O 3.12Å; D705-G708 WeakPolarHBondContact O-CA 3.49Å; D705-G708 PolarHBondContact O-N 3.12Å; A706-G708 PolarHBondContact O-N 2.85Å |
| 709 | Q | 94 | Very high | 95 | Very high | 92 Ų | 92 | 29.8 Ų | 29.8 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | trans | -68.9 | 136.4 | 176.9 | -176.9 | 174.4 | 13.5 | 0 | 0 | 111.5 | K704 D705 N707 L711 | K704-Q709 WeakPolarHBondContact CA-O 3.45Å; D705-Q709 PolarHBondContact N-O 3.23Å; N707-Q709 VanDerWaalsContact C-N 3.33Å; N707-Q709 PolarHBondContact O-N 3.47Å; Q709-L711 HydrophobicContact CG-CD2 4.36Å | ||
| 710 | L | 95.6 | Very high | 94.6 | Very high | 76 Ų | 76 | 31.9 Ų | 31.9 | 40% | 0.398 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 137.2 | 170.3 | -63 | 177.2 | 0 | 0 | 0 | 110.7 | V229 V680 E702 L703 K704 | V229-L710 HydrophobicContact CG1-CB 4.4Å; V680-L710 HydrophobicContact CG2-CD2 4.01Å; E702-L710 HydrophobicContact CG-CD2 4.32Å; L703-L710 CarbonylContact O-C 3.58Å; L703-L710 WeakPolarHBondContact O-CA 2.95Å; K704-L710 HydrophobicContact CB-CD2 4.25Å |
| 711 | L | 96.1 | Very high | 94 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.1 | 178.7 | -61.9 | 174.7 | 0 | 0 | 0 | 109.1 | H230 I232 F677 L703 D705 Q709 | H230-L711 HydrophobicContact CB-CD2 4.18Å; H230-L711 CarbonylContact O-C 3.35Å; H230-L711 VanDerWaalsContact O-CA 3.27Å; H230-L711 WeakPolarHBondContact O-CA 3.31Å; I232-L711 HydrophobicContact CG1-CD1 4.41Å; F677-L711 HydrophobicContact CE1-CD1 4.16Å; L703-L711 PolarHBondContact N-O 2.77Å; L703-L711 PolarHBondContact O-N 3.29Å; D705-L711 HydrophobicContact CB-CD1 4.05Å; Q709-L711 HydrophobicContact CG-CD2 4.36Å |
| 712 | R | 95.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 40 Ų | 40 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139.7 | 167.8 | 66.3 | -176.8 | 172.9 | 128.5 | -9.2 | 110.8 | L226 Y227 V229 H230 L231 I232 L701 D858 | L226-R712 HydrophobicContact CD1-CB 3.72Å; L226-R712 HydrophobicContact CD1-CG 4.37Å; L226-R712 WeakPolarHBondContact O-CD 3.18Å; L226-R712 PolarHBondContact O-NE 3.2Å; Y227-R712 PolarHBondContact O-NH2 3.18Å; V229-R712 HydrophobicContact CB-CB 4.13Å; V229-R712 HydrophobicContact CB-CG 4.3Å; V229-R712 HydrophobicContact CG1-CB 4.1Å; V229-R712 WeakPolarHBondContact O-CD 3.2Å; V229-R712 WeakPolarHBondContact O-CG 3.4Å; V229-R712 PolarHBondContact O-NE 3.39Å; H230-R712 PolarHBondContact O-N 3.47Å; L231-R712 HydrophobicContact CB-CG 4.34Å; L231-R712 HydrophobicContact CD1-CG 4.08Å; I232-R712 WeakPolarHBondContact CG2-O 3.44Å; I232-R712 PolarHBondContact N-O 3.4Å; L701-R712 WeakPolarHBondContact O-CA 3.37Å; R712-D858 IonicContact CZ-OD1 2.77Å; R712-D858 VanDerWaalsContact CZ-OD1 3.24Å; R712-D858 IonicContact CZ-OD2 3.4Å; R712-D858 IonicContact NH1-OD1 2.87Å; R712-D858 PolarHBondContact NH1-OD1 3.2Å; R712-D858 IonicContact NH1-OD2 3.78Å; R712-D858 PolarHBondContact NH1-OD2 3.25Å; R712-D858 IonicContact NH2-OD1 3.55Å; R712-D858 PolarHBondContact NH2-OD1 2.91Å; R712-D858 IonicContact NH2-OD2 2.7Å |
| 713 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.2 | 167.9 | 179 | 155.7 | 0 | 0 | 0 | 107.6 | I232 L237 F665 L699 E700 L701 L703 H715 | I232-L713 HydrophobicContact CG2-CB 3.93Å; I232-L713 HydrophobicContact CG2-CD1 4.39Å; I232-L713 HydrophobicContact CG2-CG 4.09Å; L237-L713 HydrophobicContact CD2-CD1 3.66Å; L237-L713 HydrophobicContact CD2-CG 4.29Å; F665-L713 HydrophobicContact CE1-CD1 3.67Å; F665-L713 HydrophobicContact CE1-CD2 4.23Å; F665-L713 HydrophobicContact CZ-CD1 4.11Å; L699-L713 HydrophobicContact CB-CD2 4.46Å; E700-L713 CarbonylContact C-O 3.55Å; E700-L713 VanDerWaalsContact CA-O 3.24Å; E700-L713 WeakPolarHBondContact CA-O 3.22Å; L701-L713 HydrophobicContact CB-CB 4.43Å; L701-L713 HydrophobicContact CD1-CD2 4.32Å; L701-L713 HydrophobicContact CG-CD2 4.49Å; L701-L713 PolarHBondContact N-O 2.69Å; L701-L713 PolarHBondContact O-N 2.81Å; L703-L713 HydrophobicContact CD1-CB 3.87Å; L703-L713 HydrophobicContact CD1-CD1 3.77Å; L703-L713 HydrophobicContact CD1-CG 4.49Å; L703-L713 HydrophobicContact CG-CB 4.28Å; L713-H715 HydrophobicContact CD2-CB 3.73Å; L713-H715 HydrophobicContact CG-CB 4.44Å |
| 714 | T | 96.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 106.9 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 107.8 | L698 L699 E700 W750 K862 | L698-T714 HydrophobicContact CD1-CG2 3.91Å; L699-T714 CarbonylContact O-C 3.59Å; L699-T714 VanDerWaalsContact O-CA 3.27Å; L699-T714 WeakPolarHBondContact O-CA 3.34Å; E700-T714 HydrophobicContact CG-CG2 4.05Å; E700-T714 PolarHBondContact OE1-OG1 2.8Å; E700-T714 VanDerWaalsContact OE1-OG1 3.1Å; T714-W750 HydrophobicContact CG2-CH2 4.41Å; T714-W750 HydrophobicContact CG2-CZ2 3.73Å; T714-W750 PolarHBondContact O-NE1 2.96Å; T714-K862 HydrophobicContact CG2-CD 3.81Å; T714-K862 HydrophobicContact CG2-CG 3.77Å |
| 715 | H | 95.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 135.4 | -168 | -172.3 | 45.3 | 0 | 0 | 0 | 112.9 | L237 F665 L699 L713 | L237-H715 HydrophobicContact CD1-CB 4.26Å; F665-H715 AromaticContact CE2-CD2 3.7Å; F665-H715 AromaticContact CZ-CD2 3.79Å; L699-H715 PolarHBondContact N-O 2.74Å; L699-H715 PolarHBondContact O-N 2.93Å; L713-H715 HydrophobicContact CD2-CB 3.73Å; L713-H715 HydrophobicContact CG-CB 4.44Å |
| 716 | Y | 96.8 | Very high | 85 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.4 | 172.6 | -79.9 | -67 | 0 | 0 | 0 | 111.8 | R696 Y697 L698 F748 W750 K862 V865 M869 | R696-Y716 HydrophobicContact CG-CD1 4Å; R696-Y716 HydrophobicContact CG-CE1 4.31Å; R696-Y716 VanDerWaalsContact NH1-CE1 3.28Å; Y697-Y716 WeakPolarHBondContact O-CA 3.37Å; L698-Y716 HydrophobicContact CB-CD1 3.97Å; L698-Y716 HydrophobicContact CB-CE1 3.56Å; L698-Y716 HydrophobicContact CD1-CD1 4.03Å; L698-Y716 HydrophobicContact CD1-CD2 4.1Å; L698-Y716 HydrophobicContact CD1-CE1 3.91Å; L698-Y716 HydrophobicContact CD1-CE2 3.97Å; L698-Y716 HydrophobicContact CD1-CG 4.12Å; L698-Y716 HydrophobicContact CD2-CE1 4.46Å; L698-Y716 HydrophobicContact CG-CE1 4.17Å; Y716-F748 HydrophobicContact CD1-CD1 4.27Å; Y716-F748 AromaticContact CD1-CE1 3.79Å; Y716-F748 HydrophobicContact CD1-CE1 3.79Å; Y716-F748 AromaticContact CD2-CD1 3.86Å; Y716-F748 HydrophobicContact CD2-CD1 3.86Å; Y716-F748 AromaticContact CD2-CE1 3.67Å; Y716-F748 HydrophobicContact CD2-CE1 3.67Å; Y716-F748 AromaticContact CE1-CE1 3.88Å; Y716-F748 HydrophobicContact CE1-CE1 3.88Å; Y716-F748 HydrophobicContact CE2-CD1 4.39Å; Y716-F748 AromaticContact CE2-CE1 3.76Å; Y716-F748 HydrophobicContact CE2-CE1 3.76Å; Y716-F748 AromaticContact CG-CD1 3.81Å; Y716-F748 HydrophobicContact CG-CD1 3.81Å; Y716-F748 AromaticContact CG-CE1 3.7Å; Y716-F748 HydrophobicContact CG-CE1 3.7Å; Y716-F748 AromaticContact CZ-CE1 3.87Å; Y716-W750 HydrophobicContact CE2-CB 4.37Å; Y716-K862 WeakPolarHBondContact CE2-O 3.1Å; Y716-K862 PolarHBondContact OH-O 2.87Å; Y716-V865 HydrophobicContact CE2-CG2 4.03Å; Y716-M869 HydrophobicContact CE2-CE 4.31Å; Y716-M869 VanDerWaalsContact OH-CE 3.29Å; Y716-M869 WeakPolarHBondContact OH-CE 3.46Å |
| 717 | I | 95.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 160.6 | 174.4 | 62.7 | -179.6 | 0 | 0 | 0 | 109.8 | L241 V661 F665 Y697 L699 L742 | L241-I717 HydrophobicContact CD1-CB 4.05Å; L241-I717 HydrophobicContact CD1-CG2 3.68Å; V661-I717 HydrophobicContact CG1-CD1 3.52Å; F665-I717 HydrophobicContact CD2-CG2 4.07Å; F665-I717 HydrophobicContact CE2-CG2 4.16Å; Y697-I717 PolarHBondContact N-O 3.23Å; Y697-I717 PolarHBondContact O-N 2.83Å; L699-I717 HydrophobicContact CD1-CD1 3.52Å; L699-I717 HydrophobicContact CD2-CD1 4.17Å; L699-I717 HydrophobicContact CG-CD1 3.68Å; L699-I717 HydrophobicContact CG-CG1 4.3Å; I717-L742 HydrophobicContact CD1-CD2 4.09Å |
| 718 | Y | 94.9 | Very high | 80.5 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.1 | -177.1 | -168.1 | -125.2 | 0 | 0 | 0 | 110.5 | Y246 G694 S695 R696 L720 C743 | Y246-Y718 HydrophobicContact CD2-CD2 4.03Å; Y246-Y718 HydrophobicContact CD2-CE2 4.21Å; Y246-Y718 HydrophobicContact CD2-CG 4.23Å; Y246-Y718 AromaticContact CE2-CD2 3.77Å; Y246-Y718 HydrophobicContact CE2-CD2 3.77Å; Y246-Y718 AromaticContact CE2-CE2 3.83Å; Y246-Y718 HydrophobicContact CE2-CE2 3.83Å; Y246-Y718 HydrophobicContact CE2-CG 4.41Å; G694-Y718 PolarHBondContact N-OH 2.97Å; G694-Y718 WeakPolarHBondContact O-CE2 3.07Å; G694-Y718 VanDerWaalsContact O-CZ 3.27Å; G694-Y718 PolarHBondContact O-OH 3.44Å; S695-Y718 VanDerWaalsContact O-CD2 3.24Å; S695-Y718 WeakPolarHBondContact O-CD2 3.5Å; R696-Y718 HydrophobicContact CB-CD2 4.18Å; Y718-L720 HydrophobicContact CD1-CD2 4.08Å; Y718-L720 HydrophobicContact CD1-CG 3.92Å; Y718-L720 HydrophobicContact CE1-CD2 3.61Å; Y718-L720 HydrophobicContact CE1-CG 3.97Å; Y718-C743 PolarHBondContact N-O 3.46Å; Y718-C743 PolarHBondContact O-N 2.92Å; Y718-C743 PolarHBondContact O-SG 2.88Å |
| 719 | T | 92.8 | Very high | 78.4 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 92.5 | 175 | 60.2 | 0 | 0 | 0 | 0 | 109.6 | V661 G694 S695 Y697 V741 L742 | V661-T719 HydrophobicContact CG2-CG2 4.2Å; G694-T719 WeakPolarHBondContact CA-O 3.48Å; S695-T719 PolarHBondContact N-O 2.74Å; S695-T719 PolarHBondContact O-N 3.13Å; S695-T719 PolarHBondContact O-OG1 3.01Å; Y697-T719 HydrophobicContact CD2-CG2 3.99Å; Y697-T719 HydrophobicContact CE2-CG2 3.51Å; Y697-T719 WeakPolarHBondContact CE2-OG1 3.37Å; T719-V741 CarbonylContact C-O 3.49Å; T719-L742 HydrophobicContact CG2-CD2 3.6Å; T719-L742 HydrophobicContact CG2-CG 4.44Å |
| 720 | L | 89 | Confident | 75.8 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134 | 176.7 | -87.1 | 171.1 | 0 | 0 | 0 | 111.6 | C244 Y718 L740 V741 | C244-L720 HydrophobicContact CB-CD1 3.73Å; Y718-L720 HydrophobicContact CD1-CD2 4.08Å; Y718-L720 HydrophobicContact CD1-CG 3.92Å; Y718-L720 HydrophobicContact CE1-CD2 3.61Å; Y718-L720 HydrophobicContact CE1-CG 3.97Å; L720-L740 WeakPolarHBondContact O-CA 3.19Å; L720-V741 HydrophobicContact CB-CB 4.49Å; L720-V741 PolarHBondContact N-O 3.02Å; L720-V741 PolarHBondContact O-N 2.84Å |
| 721 | I | 85.7 | Confident | 73.6 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 103.3 | 168.7 | -64.3 | 171.4 | 0 | 0 | 0 | 107.7 | G691 R693 H723 P738 L740 | G691-I721 WeakPolarHBondContact O-CD1 3.42Å; R693-I721 PolarHBondContact O-N 3.38Å; I721-H723 VanDerWaalsContact CG2-CE1 3.49Å; I721-H723 WeakPolarHBondContact CG2-CE1 3.31Å; I721-H723 WeakPolarHBondContact CG2-NE2 3.47Å; I721-H723 PolarHBondContact O-N 3.15Å; I721-P738 HydrophobicContact CG2-CB 3.82Å; I721-P738 HydrophobicContact CG2-CG 4.46Å; I721-L740 HydrophobicContact CG1-CD2 3.87Å |
| 722 | R | 75.3 | Confident | 70.9 | Confident | 152 Ų | 152 | 87.7 Ų | 87.7 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 97.8 | 172 | -72.5 | -165.1 | 173.3 | -149.4 | -2.6 | 111 | N724 Q739 V741 | R722-N724 PolarHBondContact O-N 3.32Å; R722-Q739 HydrophobicContact CB-CB 4.44Å; R722-Q739 WeakPolarHBondContact CB-O 3.24Å; R722-Q739 PolarHBondContact N-O 3.44Å; R722-Q739 PolarHBondContact O-N 2.9Å; R722-V741 HydrophobicContact CG-CG2 4.1Å |
| 723 | H | 66.4 | Low | 68.2 | Low | 134 Ų | 134 | 96.8 Ų | 96.8 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | trans | -67.1 | 122.7 | 157.8 | -55.7 | -66.6 | 0 | 0 | 0 | 108.3 | Y692 I721 P725 | Y692-H723 PolarHBondContact O-NE2 3.29Å; I721-H723 VanDerWaalsContact CG2-CE1 3.49Å; I721-H723 WeakPolarHBondContact CG2-CE1 3.31Å; I721-H723 WeakPolarHBondContact CG2-NE2 3.47Å; I721-H723 PolarHBondContact O-N 3.15Å; H723-P725 VanDerWaalsContact O-CD 3.28Å; H723-P725 WeakPolarHBondContact O-CD 3.49Å | ||
| 724 | N | 55.8 | Low | 65.5 | Low | 140 Ų | 140 | 104.3 Ų | 104.3 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | trans | -89.6 | 106.5 | -170.7 | -166.2 | 18.9 | 0 | 0 | 0 | 111 | R722 L726 | R722-N724 PolarHBondContact O-N 3.32Å; N724-L726 PolarHBondContact O-N 3.45Å; N724-L726 VanDerWaalsContact O-N 3.14Å | ||
| 725 | P | 48.7 | Very low | 62.9 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | trans | -96 | 67 | -164.3 | 37.9 | -31 | 0 | 0 | 0 | 111.5 | H723 | H723-P725 VanDerWaalsContact O-CD 3.28Å; H723-P725 WeakPolarHBondContact O-CD 3.49Å | ||
| 726 | L | 44 | Very low | 60.5 | Low | 149 Ų | 149 | 119.4 Ų | 119.4 | 78% | 0.78 | 57% | 0.569 | S | S | * | * | trans | 179 | 109.3 | 156.5 | -103.4 | 161.1 | 0 | 0 | 0 | 112.6 | N724 | N724-L726 PolarHBondContact O-N 3.45Å; N724-L726 VanDerWaalsContact O-N 3.14Å | ||
| 727 | R | 39.4 | Very low | 58.3 | Low | 244 Ų | 244 | 128 Ų | 128 | 92% | 0.921 | 61% | 0.609 | S | S | * | * | trans | -152.8 | 71.9 | 140.4 | -142.7 | -179.3 | -163.6 | -154 | 2.2 | 110.3 | Q729 | R727-Q729 VanDerWaalsContact C-N 3.27Å; R727-Q729 PolarHBondContact O-N 3.3Å; R727-Q729 VanDerWaalsContact O-N 3.14Å | ||
| 728 | N | 45.1 | Very low | 56.5 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | trans | -88.9 | 57.4 | -176.6 | -164.7 | 39.9 | 0 | 0 | 0 | 112.3 | ||||
| 729 | Q | 46.5 | Very low | 55.2 | Low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -162.6 | 141.7 | 156.4 | -119 | 163.8 | -15.4 | 0 | 0 | 110.9 | R727 | R727-Q729 VanDerWaalsContact C-N 3.27Å; R727-Q729 PolarHBondContact O-N 3.3Å; R727-Q729 VanDerWaalsContact O-N 3.14Å |
| 730 | D | 39.8 | Very low | 54.5 | Low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 66.7 | 131.4 | 171 | -51.4 | -29.7 | 0 | 0 | 0 | 119.1 | ||
| 731 | F | 49 | Very low | 54.4 | Low | 196 Ų | 196 | 142.4 Ų | 142.4 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -73.3 | 127.8 | -164.7 | -68.5 | -110.1 | 0 | 0 | 0 | 113.4 | ||||
| 732 | I | 39.2 | Very low | 54.8 | Low | 128 Ų | 128 | 142.9 Ų | 142.9 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | trans | -160.5 | 133.7 | 143.9 | -99.6 | 145.4 | 0 | 0 | 0 | 108.3 | E734 | I732-E734 HydrophobicContact CG2-CB 4.1Å; I732-E734 HydrophobicContact CG2-CG 3.79Å; I732-E734 PolarHBondContact O-N 2.94Å | ||
| 733 | F | 40.7 | Very low | 55.6 | Low | 212 Ų | 212 | 135.7 Ų | 135.7 | 93% | 0.93 | 66% | 0.662 | S | S | * | * | trans | -82.6 | 55.9 | 179.8 | -99.3 | -86.1 | 0 | 0 | 0 | 112.7 | ||||
| 734 | E | 39.2 | Very low | 57 | Low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -91.1 | 109.8 | 163 | -75.8 | -168.3 | 157.3 | 0 | 0 | 109.6 | I732 S736 | I732-E734 HydrophobicContact CG2-CB 4.1Å; I732-E734 HydrophobicContact CG2-CG 3.79Å; I732-E734 PolarHBondContact O-N 2.94Å; E734-S736 VanDerWaalsContact C-N 3.32Å; E734-S736 PolarHBondContact O-N 2.68Å | ||
| 735 | R | 40.2 | Very low | 58.8 | Low | 242 Ų | 242 | 124.1 Ų | 124.1 | 91% | 0.913 | 60% | 0.604 | S | S | * | * | trans | -66 | 92.7 | 168 | -84 | -176.8 | 170.1 | 175.3 | -2.7 | 108.7 | Q737 | R735-Q737 PolarHBondContact O-N 2.95Å; R735-Q737 VanDerWaalsContact O-N 3.12Å | ||
| 736 | S | 46.5 | Very low | 60.8 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118 | 170.6 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | E734 | E734-S736 VanDerWaalsContact C-N 3.32Å; E734-S736 PolarHBondContact O-N 2.68Å |
| 737 | Q | 50.7 | Low | 63 | Low | 183 Ų | 183 | 117.3 Ų | 117.3 | 86% | 0.855 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134.3 | -178.8 | -70 | -177.1 | -16.8 | 0 | 0 | 109.7 | R735 Q739 | R735-Q737 PolarHBondContact O-N 2.95Å; R735-Q737 VanDerWaalsContact O-N 3.12Å; Q737-Q739 PolarHBondContact O-N 2.86Å |
| 738 | P | 57.6 | Low | 65.6 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 133 | -177.6 | 25.9 | -33.7 | 0 | 0 | 0 | 110.4 | I721 L740 | I721-P738 HydrophobicContact CG2-CB 3.82Å; I721-P738 HydrophobicContact CG2-CG 4.46Å; P738-L740 PolarHBondContact O-N 2.88Å |
| 739 | Q | 66.8 | Low | 67.9 | Low | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.3 | -179 | -169.4 | 178.1 | 25.8 | 0 | 0 | 109.8 | R722 Q737 V741 | R722-Q739 HydrophobicContact CB-CB 4.44Å; R722-Q739 WeakPolarHBondContact CB-O 3.24Å; R722-Q739 PolarHBondContact N-O 3.44Å; R722-Q739 PolarHBondContact O-N 2.9Å; Q737-Q739 PolarHBondContact O-N 2.86Å; Q739-V741 HydrophobicContact CG-CG2 4.32Å |
| 740 | L | 78.6 | Confident | 70.2 | Confident | 119 Ų | 119 | 99.6 Ų | 99.6 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.2 | 171.6 | -65 | 175.6 | 0 | 0 | 0 | 110 | L720 I721 P738 | L720-L740 WeakPolarHBondContact O-CA 3.19Å; I721-L740 HydrophobicContact CG1-CD2 3.87Å; P738-L740 PolarHBondContact O-N 2.88Å |
| 741 | V | 87.9 | Confident | 72.8 | Confident | 36 Ų | 36 | 95.4 Ų | 95.4 | 22% | 0.218 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.2 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | T719 L720 R722 Q739 | T719-V741 CarbonylContact C-O 3.49Å; L720-V741 HydrophobicContact CB-CB 4.49Å; L720-V741 PolarHBondContact N-O 3.02Å; L720-V741 PolarHBondContact O-N 2.84Å; R722-V741 HydrophobicContact CG-CG2 4.1Å; Q739-V741 HydrophobicContact CG-CG2 4.32Å |
| 742 | L | 92.9 | Very high | 75 | Confident | 36 Ų | 36 | 88 Ų | 88 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.4 | 172.3 | -75.8 | 166.1 | 0 | 0 | 0 | 110.8 | L241 P242 V661 A664 I717 T719 | L241-L742 HydrophobicContact CD1-CB 4.2Å; L241-L742 HydrophobicContact CD2-CB 3.96Å; P242-L742 WeakPolarHBondContact CD-O 3.2Å; P242-L742 WeakPolarHBondContact CG-O 3.36Å; V661-L742 HydrophobicContact CG1-CD2 4.16Å; A664-L742 HydrophobicContact CB-CD1 3.53Å; I717-L742 HydrophobicContact CD1-CD2 4.09Å; T719-L742 HydrophobicContact CG2-CD2 3.6Å; T719-L742 HydrophobicContact CG2-CG 4.44Å |
| 743 | C | 93.4 | Very high | 77.6 | Confident | 2 Ų | 2 | 87.2 Ų | 87.2 | 1% | 0.014 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 160.2 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | P242 C244 Y718 | P242-C743 HydrophobicContact CG-CB 4.32Å; P242-C743 CarbonylContact O-C 3.51Å; P242-C743 WeakPolarHBondContact O-CA 2.84Å; P242-C743 WeakPolarHBondContact O-CB 3.49Å; C244-C743 HydrophobicContact CB-CB 3.56Å; C244-C743 WeakPolarHBondContact CB-SG 3.33Å; C244-C743 WeakPolarHBondContact SG-CB 3.5Å; C244-C743 CovalentContact SG-SG 2.03Å; C244-C743 PolarHBondContact SG-SG 3.02Å; Y718-C743 PolarHBondContact N-O 3.46Å; Y718-C743 PolarHBondContact O-N 2.92Å; Y718-C743 PolarHBondContact O-SG 2.88Å |
| 744 | N | 94.2 | Very high | 80.3 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.2 | 173.9 | 173.5 | 58.6 | 0 | 0 | 0 | 109.3 | L241 P242 D243 C244 V746 | L241-N744 HydrophobicContact CB-CB 4.28Å; P242-N744 PolarHBondContact O-N 2.7Å; D243-N744 PolarHBondContact OD1-ND2 3.23Å; C244-N744 PolarHBondContact N-O 2.59Å; C244-N744 PolarHBondContact SG-O 3.04Å; C244-N744 VanDerWaalsContact SG-O 3.37Å; N744-V746 PolarHBondContact O-N 2.87Å |
| 745 | P | 94.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 112.3 | -179.7 | 29.2 | -33.9 | 0 | 0 | 0 | 110.4 | Y246 F748 | Y246-P745 HydrophobicContact CD2-CB 3.76Å; Y246-P745 HydrophobicContact CG-CB 4.07Å; P745-F748 HydrophobicContact CB-CB 3.93Å; P745-F748 HydrophobicContact CG-CB 4.12Å; P745-F748 PolarHBondContact O-N 3.01Å |
| 746 | V | 91.3 | Very high | 85.9 | Confident | 76 Ų | 76 | 59 Ų | 59 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.2 | -179.8 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | D243 C244 N744 F748 | D243-V746 HydrophobicContact CB-CG2 3.64Å; C244-V746 PolarHBondContact O-N 3.1Å; N744-V746 PolarHBondContact O-N 2.87Å; V746-F748 PolarHBondContact O-N 2.98Å |
| 747 | G | 89.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 87 | -45.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | R749 Y868 | G747-R749 PolarHBondContact O-N 2.88Å; G747-Y868 VanDerWaalsContact C-CE2 3.45Å |
| 748 | F | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | trans | -72.9 | 83.7 | -174.3 | -158.5 | -79.5 | 0 | 0 | 0 | 112.8 | Y246 R696 Y716 P745 V746 V865 Y868 M869 | Y246-F748 HydrophobicContact CD1-CB 4.18Å; Y246-F748 AromaticContact CD1-CD2 3.41Å; Y246-F748 HydrophobicContact CD1-CD2 3.41Å; Y246-F748 VanDerWaalsContact CD1-CD2 3.41Å; Y246-F748 HydrophobicContact CD1-CE2 4.11Å; Y246-F748 HydrophobicContact CD1-CG 4.09Å; Y246-F748 AromaticContact CE1-CD2 3.28Å; Y246-F748 HydrophobicContact CE1-CD2 3.28Å; Y246-F748 AromaticContact CE1-CE2 3.48Å; Y246-F748 HydrophobicContact CE1-CE2 3.48Å; Y246-F748 VanDerWaalsContact CE1-CE2 3.48Å; Y246-F748 HydrophobicContact CE1-CG 4.18Å; Y246-F748 HydrophobicContact CG-CB 4.15Å; Y246-F748 HydrophobicContact CG-CD2 4.13Å; Y246-F748 HydrophobicContact CG-CG 4.38Å; Y246-F748 AromaticContact CZ-CD2 3.92Å; Y246-F748 AromaticContact CZ-CE2 3.92Å; R696-F748 VanDerWaalsContact CD-CE1 3.42Å; Y716-F748 HydrophobicContact CD1-CD1 4.27Å; Y716-F748 AromaticContact CD1-CE1 3.79Å; Y716-F748 HydrophobicContact CD1-CE1 3.79Å; Y716-F748 AromaticContact CD2-CD1 3.86Å; Y716-F748 HydrophobicContact CD2-CD1 3.86Å; Y716-F748 AromaticContact CD2-CE1 3.67Å; Y716-F748 HydrophobicContact CD2-CE1 3.67Å; Y716-F748 AromaticContact CE1-CE1 3.88Å; Y716-F748 HydrophobicContact CE1-CE1 3.88Å; Y716-F748 HydrophobicContact CE2-CD1 4.39Å; Y716-F748 AromaticContact CE2-CE1 3.76Å; Y716-F748 HydrophobicContact CE2-CE1 3.76Å; Y716-F748 AromaticContact CG-CD1 3.81Å; Y716-F748 HydrophobicContact CG-CD1 3.81Å; Y716-F748 AromaticContact CG-CE1 3.7Å; Y716-F748 HydrophobicContact CG-CE1 3.7Å; Y716-F748 AromaticContact CZ-CE1 3.87Å; P745-F748 HydrophobicContact CB-CB 3.93Å; P745-F748 HydrophobicContact CG-CB 4.12Å; P745-F748 PolarHBondContact O-N 3.01Å; V746-F748 PolarHBondContact O-N 2.98Å; F748-V865 HydrophobicContact CD1-CG1 4.29Å; F748-V865 HydrophobicContact CD1-CG2 4.27Å; F748-V865 HydrophobicContact CD2-CG1 4.27Å; F748-V865 HydrophobicContact CE1-CB 4.41Å; F748-V865 HydrophobicContact CE1-CG2 3.87Å; F748-V865 HydrophobicContact CG-CG1 4.16Å; F748-V865 HydrophobicContact CZ-CB 4.35Å; F748-V865 HydrophobicContact CZ-CG2 4.17Å; F748-Y868 AromaticContact CD2-CD1 3.97Å; F748-Y868 HydrophobicContact CD2-CD1 3.97Å; F748-Y868 HydrophobicContact CD2-CD2 4.35Å; F748-Y868 AromaticContact CD2-CG 3.71Å; F748-Y868 HydrophobicContact CD2-CG 3.71Å; F748-Y868 HydrophobicContact CE2-CG 4.33Å; F748-M869 HydrophobicContact CE1-CE 4.08Å; F748-M869 HydrophobicContact CE2-CB 4.2Å; F748-M869 HydrophobicContact CZ-CB 4.15Å; F748-M869 HydrophobicContact CZ-CE 3.67Å; F748-M869 HydrophobicContact CZ-SD 3.76Å | ||
| 749 | R | 92.1 | Very high | 92.6 | Very high | 157 Ų | 157 | 43.3 Ų | 43.3 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | trans | -141.5 | 122.4 | -177.3 | -69.4 | -176.8 | 57 | -141.1 | -16.3 | 112.1 | G747 | G747-R749 PolarHBondContact O-N 2.88Š| ||
| 750 | W | 94.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 10% | 0.095 | 20% | 0.198 | C | C | . | . | trans | -67.5 | 155.4 | 171.8 | 79.5 | -79.5 | 0 | 0 | 0 | 112.4 | L231 T714 Y716 P752 R861 K862 V865 | L231-W750 HydrophobicContact CD1-CZ2 4.19Å; L231-W750 HydrophobicContact CD2-CH2 4.1Å; L231-W750 HydrophobicContact CD2-CZ2 4.12Å; T714-W750 HydrophobicContact CG2-CH2 4.41Å; T714-W750 HydrophobicContact CG2-CZ2 3.73Å; T714-W750 PolarHBondContact O-NE1 2.96Å; Y716-W750 HydrophobicContact CE2-CB 4.37Å; W750-P752 HydrophobicContact CE3-CB 4.38Å; W750-P752 HydrophobicContact CH2-CB 3.72Å; W750-P752 HydrophobicContact CZ2-CB 4.43Å; W750-P752 VanDerWaalsContact CZ3-CA 3.48Å; W750-P752 HydrophobicContact CZ3-CB 3.7Å; W750-R861 WeakPolarHBondContact CB-O 3.49Å; W750-R861 HydrophobicContact CE3-CB 4.16Å; W750-R861 HydrophobicContact CZ3-CB 4.22Å; W750-K862 HydrophobicContact CD2-CG 4.25Å; W750-K862 HydrophobicContact CE3-CB 4.49Å; W750-K862 HydrophobicContact CE3-CG 3.96Å; W750-K862 HydrophobicContact CH2-CG 4.3Å; W750-K862 HydrophobicContact CZ3-CG 3.96Å; W750-V865 HydrophobicContact CB-CG2 4.26Å | ||
| 751 | N | 95.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 31.5 Ų | 31.5 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | trans | -114.8 | 112.7 | -179.6 | -177.9 | 4.9 | 0 | 0 | 0 | 110.7 | D753 A754 | N751-D753 PolarHBondContact O-N 3.28Å; N751-D753 PolarHBondContact OD1-N 2.94Å; N751-D753 VanDerWaalsContact OD1-N 3.1Å; N751-A754 HydrophobicContact CB-CB 4.05Å | ||
| 752 | P | 94.5 | Very high | 95.1 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19 | -179.1 | 29.6 | -35.8 | 0 | 0 | 0 | 114.1 | L231 W750 R861 | L231-P752 HydrophobicContact CD2-CB 3.76Å; L231-P752 HydrophobicContact CD2-CG 4.05Å; W750-P752 HydrophobicContact CE3-CB 4.38Å; W750-P752 HydrophobicContact CH2-CB 3.72Å; W750-P752 HydrophobicContact CZ2-CB 4.43Å; W750-P752 VanDerWaalsContact CZ3-CA 3.48Å; W750-P752 HydrophobicContact CZ3-CB 3.7Å; P752-R861 WeakPolarHBondContact O-CD 3.19Å; P752-R861 PolarHBondContact O-NE 2.93Å; P752-R861 PolarHBondContact O-NH1 3.01Å |
| 753 | D | 94.8 | Very high | 95 | Very high | 112 Ų | 112 | 30.3 Ų | 30.3 | 60% | 0.599 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -0.7 | -172.5 | -58.1 | -58.3 | 0 | 0 | 0 | 113.2 | N751 N787 | N751-D753 PolarHBondContact O-N 3.28Å; N751-D753 PolarHBondContact OD1-N 2.94Å; N751-D753 VanDerWaalsContact OD1-N 3.1Å; D753-N787 PolarHBondContact O-ND2 2.84Å |
| 754 | A | 97.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 135 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | N751 V756 I842 R861 | N751-A754 HydrophobicContact CB-CB 4.05Å; A754-V756 PolarHBondContact O-N 3.12Å; A754-I842 HydrophobicContact CB-CD1 3.99Å; A754-I842 HydrophobicContact CB-CG1 4.31Å; A754-R861 PolarHBondContact O-NE 2.93Å |
| 755 | T | 98.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 128.6 | 175 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | H757 N787 N789 R813 S841 I842 | T755-H757 VanDerWaalsContact CG2-NE2 3.3Å; T755-H757 WeakPolarHBondContact CG2-NE2 3.46Å; T755-N787 VanDerWaalsContact CA-O 3.31Å; T755-N787 WeakPolarHBondContact CA-O 2.98Å; T755-N789 HydrophobicContact CG2-CB 4.49Å; T755-R813 PolarHBondContact OG1-NH1 3.13Å; T755-S841 WeakPolarHBondContact O-CB 3.42Å; T755-I842 PolarHBondContact O-N 2.91Å |
| 756 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.6 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110 | A754 F758 N787 F788 N789 I842 F844 V857 I860 R861 | A754-V756 PolarHBondContact O-N 3.12Å; V756-F758 HydrophobicContact CB-CE2 4.19Å; V756-F758 HydrophobicContact CG1-CD2 4.1Å; V756-F758 HydrophobicContact CG1-CE2 3.61Å; V756-F758 HydrophobicContact CG1-CZ 4.09Å; V756-N787 PolarHBondContact N-O 3.5Å; V756-F788 HydrophobicContact CB-CB 4.42Å; V756-F788 CarbonylContact O-C 3.52Å; V756-F788 WeakPolarHBondContact O-CA 3.5Å; V756-F788 WeakPolarHBondContact O-CB 3.35Å; V756-N789 PolarHBondContact O-N 3.26Å; V756-I842 CarbonylContact C-O 3.45Å; V756-I842 WeakPolarHBondContact CA-O 3.16Å; V756-I842 HydrophobicContact CG2-CB 4.42Å; V756-I842 HydrophobicContact CG2-CD1 4.45Å; V756-F844 HydrophobicContact CG1-CB 4.11Å; V756-V857 HydrophobicContact CB-CG1 4.19Å; V756-V857 HydrophobicContact CG2-CG1 3.85Å; V756-I860 HydrophobicContact CG1-CB 4.49Å; V756-I860 HydrophobicContact CG1-CD1 4.02Å; V756-I860 HydrophobicContact CG1-CG2 3.93Å; V756-I860 HydrophobicContact CG2-CG2 4.19Å; V756-R861 HydrophobicContact CG2-CG 3.82Å |
| 757 | H | 98.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 104.4 | -178.2 | -66 | -107.5 | 0 | 0 | 0 | 110 | T755 N789 I791 I836 I842 F844 | T755-H757 VanDerWaalsContact CG2-NE2 3.3Å; T755-H757 WeakPolarHBondContact CG2-NE2 3.46Å; H757-N789 CarbonylContact C-O 3.6Å; H757-N789 WeakPolarHBondContact CA-O 3.38Å; H757-I791 HydrophobicContact CB-CD1 4.19Å; H757-I836 HydrophobicContact CB-CD1 3.52Å; H757-I836 HydrophobicContact CB-CG1 4.37Å; H757-I842 PolarHBondContact N-O 3.17Å; H757-F844 PolarHBondContact O-N 2.94Å |
| 758 | F | 98.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.7 | 175 | -68.9 | -102.1 | 0 | 0 | 0 | 108.7 | V756 M776 F788 N789 L790 I791 F844 F852 I856 V857 I860 | V756-F758 HydrophobicContact CB-CE2 4.19Å; V756-F758 HydrophobicContact CG1-CD2 4.1Å; V756-F758 HydrophobicContact CG1-CE2 3.61Å; V756-F758 HydrophobicContact CG1-CZ 4.09Å; F758-M776 HydrophobicContact CD1-CE 4.16Å; F758-M776 HydrophobicContact CD2-CE 3.7Å; F758-M776 HydrophobicContact CE1-CE 4.24Å; F758-M776 HydrophobicContact CE2-CE 3.78Å; F758-M776 HydrophobicContact CG-CE 3.91Å; F758-M776 HydrophobicContact CZ-CE 4.06Å; F758-F788 HydrophobicContact CD2-CD2 4.25Å; F758-F788 HydrophobicContact CE2-CB 4.23Å; F758-F788 HydrophobicContact CE2-CD2 4.35Å; F758-N789 PolarHBondContact N-O 3.45Å; F758-L790 HydrophobicContact CB-CD1 4.06Å; F758-I791 PolarHBondContact O-N 3.16Å; F758-F844 WeakPolarHBondContact CA-O 3.48Å; F758-F844 HydrophobicContact CD1-CB 4.47Å; F758-F844 AromaticContact CD1-CD1 3.59Å; F758-F844 HydrophobicContact CD1-CD1 3.59Å; F758-F844 HydrophobicContact CD1-CE1 4.29Å; F758-F844 HydrophobicContact CD1-CG 4.38Å; F758-F844 AromaticContact CE1-CD1 3.69Å; F758-F844 HydrophobicContact CE1-CD1 3.69Å; F758-F844 HydrophobicContact CE1-CE1 4.15Å; F758-F844 HydrophobicContact CE1-CG 4.36Å; F758-F844 HydrophobicContact CG-CD1 4.48Å; F758-F852 HydrophobicContact CD1-CE1 4.15Å; F758-F852 HydrophobicContact CD1-CZ 4.15Å; F758-F852 HydrophobicContact CE1-CD1 4.21Å; F758-F852 AromaticContact CE1-CE1 3.84Å; F758-F852 HydrophobicContact CE1-CE1 3.84Å; F758-F852 HydrophobicContact CE1-CZ 4.28Å; F758-I856 HydrophobicContact CE1-CG1 4.4Å; F758-I856 HydrophobicContact CE1-CG2 4.49Å; F758-I856 HydrophobicContact CZ-CG1 4.43Å; F758-I856 HydrophobicContact CZ-CG2 4.11Å; F758-V857 HydrophobicContact CE2-CG2 4.13Å; F758-V857 HydrophobicContact CZ-CG2 4.17Å; F758-I860 HydrophobicContact CE1-CD1 4.03Å; F758-I860 HydrophobicContact CZ-CD1 3.79Å |
| 759 | I | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.9 | -175.1 | -45.7 | -173.3 | 0 | 0 | 0 | 110.2 | I791 T793 L829 I833 I836 V843 F844 C846 | I759-I791 WeakPolarHBondContact CA-O 3.4Å; I759-I791 HydrophobicContact CD1-CD1 4.32Å; I759-I791 HydrophobicContact CG1-CB 4.3Å; I759-I791 HydrophobicContact CG1-CD1 4.19Å; I759-I791 HydrophobicContact CG2-CB 4.37Å; I759-I791 HydrophobicContact CG2-CG2 4.4Å; I759-T793 HydrophobicContact CG2-CG2 4.49Å; I759-L829 HydrophobicContact CB-CD2 4.18Å; I759-L829 HydrophobicContact CG2-CD2 4.04Å; I759-L829 WeakPolarHBondContact O-CD2 3.5Å; I759-I833 HydrophobicContact CD1-CB 4.46Å; I759-I833 HydrophobicContact CD1-CG1 3.67Å; I759-I836 HydrophobicContact CD1-CD1 3.98Å; I759-V843 HydrophobicContact CD1-CG1 3.77Å; I759-V843 HydrophobicContact CG1-CG1 4.49Å; I759-F844 PolarHBondContact N-O 3.15Å; I759-C846 PolarHBondContact O-N 3.31Å |
| 760 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 115.9 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | V762 L772 I791 I792 T793 C846 L848 | V760-V762 HydrophobicContact CG1-CG1 3.89Å; V760-L772 HydrophobicContact CB-CD2 4.08Å; V760-L772 HydrophobicContact CG1-CD2 4.09Å; V760-L772 HydrophobicContact CG2-CD2 3.8Å; V760-I791 PolarHBondContact N-O 3Å; V760-I792 WeakPolarHBondContact O-CA 3.49Å; V760-T793 PolarHBondContact O-N 2.94Å; V760-C846 VanDerWaalsContact CG2-SG 3.51Å; V760-L848 HydrophobicContact CG1-CB 3.76Å; V760-L848 HydrophobicContact CG1-CD1 3.95Å; V760-L848 HydrophobicContact CG1-CG 4.42Å |
| 761 | P | 95.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.9 | 170.6 | 33.3 | -33.2 | 0 | 0 | 0 | 110.8 | T793 F823 R825 L829 | P761-T793 CarbonylContact C-O 3.59Å; P761-T793 WeakPolarHBondContact CA-O 3.14Å; P761-T793 WeakPolarHBondContact CA-OG1 3.5Å; P761-F823 HydrophobicContact CB-CE2 3.98Å; P761-F823 HydrophobicContact CB-CZ 4.21Å; P761-F823 HydrophobicContact CG-CE2 4.45Å; P761-F823 HydrophobicContact CG-CZ 4.19Å; P761-R825 HydrophobicContact CG-CG 4.11Å; P761-L829 HydrophobicContact CG-CD2 4.37Å; P761-L829 HydrophobicContact CG-CG 4.23Å |
| 762 | V | 93.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.4 | -172.6 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | V760 V769 I792 T793 D794 Y795 L848 | V760-V762 HydrophobicContact CG1-CG1 3.89Å; V762-V769 HydrophobicContact CB-CG2 4.08Å; V762-V769 HydrophobicContact CG1-CG2 3.83Å; V762-V769 HydrophobicContact CG2-CG2 4.47Å; V762-I792 HydrophobicContact CB-CG2 4.31Å; V762-I792 HydrophobicContact CG1-CG2 3.78Å; V762-I792 HydrophobicContact CG2-CG2 3.49Å; V762-I792 VanDerWaalsContact CG2-CG2 3.49Å; V762-T793 PolarHBondContact N-O 2.69Å; V762-D794 HydrophobicContact CG2-CB 3.83Å; V762-Y795 PolarHBondContact O-N 3.29Å; V762-L848 HydrophobicContact CG1-CD1 4.12Å; V762-L848 HydrophobicContact CG1-CD2 4.15Å |
| 763 | K | 91.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 20.8 Ų | 20.8 | 20% | 0.2 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -159.6 | 119.9 | 167.8 | -164.7 | 174 | -163.5 | 154 | 0 | 111.7 | Q765 Y795 S797 G821 F823 | K763-Q765 VanDerWaalsContact C-N 3.3Å; K763-Q765 PolarHBondContact O-N 3.42Å; K763-Y795 WeakPolarHBondContact CE-O 3.41Å; K763-Y795 PolarHBondContact NZ-O 3.17Å; K763-S797 WeakPolarHBondContact CA-OG 3.07Å; K763-G821 PolarHBondContact NZ-O 3.07Å; K763-F823 HydrophobicContact CB-CD2 3.88Å; K763-F823 HydrophobicContact CD-CB 3.96Å |
| 764 | N | 88.9 | Confident | 94.4 | Very high | 76 Ų | 76 | 18 Ų | 18 | 41% | 0.406 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 49.3 | 47 | 174.9 | -69.7 | -15.5 | 0 | 0 | 0 | 114 | S797 T798 D799 | N764-S797 PolarHBondContact N-OG 2.89Å; N764-S797 VanDerWaalsContact OD1-CA 3.3Å; N764-S797 WeakPolarHBondContact OD1-CA 3.47Å; N764-T798 PolarHBondContact OD1-N 3.34Å; N764-T798 PolarHBondContact OD1-OG1 3.45Å; N764-D799 WeakPolarHBondContact CA-OD1 3.18Å; N764-D799 WeakPolarHBondContact CA-OD2 3.44Å |
| 765 | Q | 87.9 | Confident | 94.2 | Very high | 18 Ų | 18 | 18.1 Ų | 18.1 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | trans | -130.5 | 38.4 | 179 | -71.6 | -73.8 | 15.4 | 0 | 0 | 111.1 | K763 R767 W768 V769 D799 L848 | K763-Q765 VanDerWaalsContact C-N 3.3Å; K763-Q765 PolarHBondContact O-N 3.42Å; Q765-R767 PolarHBondContact O-N 2.77Å; Q765-W768 PolarHBondContact O-N 2.87Å; Q765-V769 PolarHBondContact O-N 2.83Å; Q765-V769 VanDerWaalsContact O-N 3.08Å; Q765-D799 PolarHBondContact N-OD2 2.85Å; Q765-L848 HydrophobicContact CB-CD2 3.45Å; Q765-L848 VanDerWaalsContact CB-CD2 3.45Å; Q765-L848 HydrophobicContact CG-CD2 4.06Å | ||
| 766 | A | 89.3 | Confident | 94.2 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -42.2 | -45.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M190 W768 V769 Q770 D799 M800 | M190-A766 HydrophobicContact CB-CB 4.48Å; A766-W768 VanDerWaalsContact C-N 3.34Å; A766-W768 PolarHBondContact O-N 2.82Å; A766-V769 PolarHBondContact O-N 3.05Å; A766-Q770 WeakPolarHBondContact O-CB 3.35Å; A766-Q770 PolarHBondContact O-N 3.4Å; A766-D799 HydrophobicContact CB-CB 4.14Å; A766-D799 VanDerWaalsContact CB-CG 3.47Å; A766-D799 WeakPolarHBondContact CB-OD2 3.44Å; A766-D799 PolarHBondContact N-OD2 3.02Å; A766-M800 HydrophobicContact CB-CB 3.56Å; A766-M800 HydrophobicContact CB-CG 4.45Å; A766-M800 HydrophobicContact CB-SD 4.14Å |
| 767 | R | 90.1 | Very high | 94 | Very high | 39 Ų | 39 | 19.1 Ų | 19.1 | 15% | 0.147 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -55.5 | -45.9 | -179.9 | 70.8 | -176.9 | -176.3 | -121.8 | 10.8 | 112.6 | Y46 H48 Q765 Q771 | Y46-R767 HydrophobicContact CG-CB 4.43Å; H48-R767 PolarHBondContact CD2-NH1 2.89Å; H48-R767 VanDerWaalsContact NE2-CZ 3.29Å; H48-R767 PolarHBondContact NE2-NH1 2.82Å; H48-R767 PolarHBondContact NE2-NH2 2.87Å; Q765-R767 PolarHBondContact O-N 2.77Å; R767-Q771 PolarHBondContact O-N 3.02Å |
| 768 | W | 92.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80.4 | -30.9 | -178.7 | -68.6 | 123.8 | 0 | 0 | 0 | 112.2 | H42 Q765 A766 Q770 Q771 L772 L848 H849 H950 H952 | H42-W768 AromaticContact CE1-CD2 3.5Å; H42-W768 AromaticContact CE1-CE2 3.57Å; H42-W768 AromaticContact CE1-CE3 3.53Å; H42-W768 AromaticContact CE1-CH2 3.62Å; H42-W768 AromaticContact CE1-CZ2 3.65Å; H42-W768 AromaticContact CE1-CZ3 3.58Å; H42-W768 AromaticContact NE2-CD2 3.86Å; H42-W768 AromaticContact NE2-CE3 3.81Å; Q765-W768 PolarHBondContact O-N 2.87Å; A766-W768 VanDerWaalsContact C-N 3.34Å; A766-W768 PolarHBondContact O-N 2.82Å; W768-Q770 VanDerWaalsContact C-N 3.33Å; W768-Q771 HydrophobicContact CE3-CB 4.46Å; W768-Q771 PolarHBondContact O-N 2.91Å; W768-L772 WeakPolarHBondContact O-CB 3.38Å; W768-L772 PolarHBondContact O-N 2.96Å; W768-L848 HydrophobicContact CB-CD1 4.24Å; W768-L848 HydrophobicContact CB-CD2 3.88Å; W768-L848 HydrophobicContact CB-CG 3.74Å; W768-H849 AromaticContact CD1-CD2 3.32Å; W768-H849 AromaticContact CD1-NE2 3.28Å; W768-H849 VanDerWaalsContact CD1-NE2 3.28Å; W768-H849 AromaticContact CD2-CD2 3.54Å; W768-H849 AromaticContact CE2-CD2 3.67Å; W768-H849 AromaticContact CG-CD2 3.33Å; W768-H849 AromaticContact CG-NE2 3.73Å; W768-H849 AromaticContact NE1-CD2 3.49Å; W768-H849 PolarHBondContact NE1-CD2 2.65Å; W768-H849 AromaticContact NE1-NE2 3.62Å; W768-H950 HydrophobicContact CH2-CB 3.39Å; W768-H950 AromaticContact CH2-CG 3.73Å; W768-H950 HydrophobicContact CZ2-CB 4.26Å; W768-H950 HydrophobicContact CZ3-CB 3.86Å; W768-H950 AromaticContact CZ3-CD2 3.85Å; W768-H950 AromaticContact CZ3-CG 3.77Å; W768-H952 HydrophobicContact CZ2-CB 4.33Å |
| 769 | V | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 172.5 | -179 | 0 | 0 | 0 | 0 | 110.6 | V762 Q765 A766 I773 I792 M800 V802 L848 | V762-V769 HydrophobicContact CB-CG2 4.08Å; V762-V769 HydrophobicContact CG1-CG2 3.83Å; V762-V769 HydrophobicContact CG2-CG2 4.47Å; Q765-V769 PolarHBondContact O-N 2.83Å; Q765-V769 VanDerWaalsContact O-N 3.08Å; A766-V769 PolarHBondContact O-N 3.05Å; V769-I773 HydrophobicContact CG1-CD1 4.12Å; V769-I773 VanDerWaalsContact O-CG1 3.3Å; V769-I773 WeakPolarHBondContact O-CG1 3.18Å; V769-I773 PolarHBondContact O-N 2.89Å; V769-I773 VanDerWaalsContact O-N 3.07Å; V769-I792 HydrophobicContact CG1-CD1 4.01Å; V769-M800 HydrophobicContact CB-CE 3.55Å; V769-M800 HydrophobicContact CG1-CE 3.4Å; V769-M800 VanDerWaalsContact CG1-CE 3.4Å; V769-V802 HydrophobicContact CG1-CG1 4.09Å; V769-V802 HydrophobicContact CG1-CG2 4.37Å; V769-L848 HydrophobicContact CB-CD1 4.46Å; V769-L848 HydrophobicContact CG2-CD1 3.83Å; V769-L848 HydrophobicContact CG2-CD2 4.02Å |
| 770 | Q | 93 | Very high | 93.6 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 18% | 0.178 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 172.6 | -177.2 | 58.9 | 72.2 | 0 | 0 | 111.7 | Y46 A766 W768 T774 | Y46-Q770 HydrophobicContact CE1-CG 4.14Å; A766-Q770 WeakPolarHBondContact O-CB 3.35Å; A766-Q770 PolarHBondContact O-N 3.4Å; W768-Q770 VanDerWaalsContact C-N 3.33Å; Q770-T774 PolarHBondContact NE2-OG1 3.44Å; Q770-T774 PolarHBondContact O-N 2.83Å; Q770-T774 VanDerWaalsContact O-N 3.13Å; Q770-T774 PolarHBondContact O-OG1 3.04Å |
| 771 | Q | 93.4 | Very high | 93.6 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 16% | 0.159 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -51.4 | 174.5 | -168.4 | 62.4 | 49.9 | 0 | 0 | 111.7 | L41 R767 W768 I773 T774 D775 | L41-Q771 HydrophobicContact CD2-CG 3.78Å; R767-Q771 PolarHBondContact O-N 3.02Å; W768-Q771 HydrophobicContact CE3-CB 4.46Å; W768-Q771 PolarHBondContact O-N 2.91Å; Q771-I773 VanDerWaalsContact C-N 3.29Å; Q771-I773 PolarHBondContact O-N 3.02Å; Q771-T774 CarbonylContact O-C 3.52Å; Q771-T774 WeakPolarHBondContact O-CA 3.31Å; Q771-T774 WeakPolarHBondContact O-CB 3.49Å; Q771-T774 PolarHBondContact O-N 3.32Å; Q771-D775 PolarHBondContact NE2-OD1 3.24Å; Q771-D775 PolarHBondContact O-N 3.11Å |
| 772 | L | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.1 | -44.7 | 177.6 | 172.9 | 64.8 | 0 | 0 | 0 | 112.3 | V760 W768 T774 D775 M776 L790 L848 F852 | V760-L772 HydrophobicContact CB-CD2 4.08Å; V760-L772 HydrophobicContact CG1-CD2 4.09Å; V760-L772 HydrophobicContact CG2-CD2 3.8Å; W768-L772 WeakPolarHBondContact O-CB 3.38Å; W768-L772 PolarHBondContact O-N 2.96Å; L772-T774 VanDerWaalsContact C-N 3.34Å; L772-D775 PolarHBondContact O-N 2.86Å; L772-M776 HydrophobicContact CD1-CG 4.1Å; L772-M776 WeakPolarHBondContact O-CB 3.46Å; L772-M776 VanDerWaalsContact O-CG 3.26Å; L772-M776 WeakPolarHBondContact O-CG 3.27Å; L772-M776 PolarHBondContact O-N 3.33Å; L772-L790 HydrophobicContact CD2-CD1 4.33Å; L772-L848 HydrophobicContact CB-CD1 4.16Å; L772-L848 HydrophobicContact CD2-CD1 3.73Å; L772-F852 HydrophobicContact CD1-CD2 4.37Å; L772-F852 HydrophobicContact CD1-CE2 3.75Å |
| 773 | I | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.4 | -69.3 | 168.6 | 0 | 0 | 0 | 110.2 | V769 Q771 D775 M776 E777 L790 I792 V805 L806 L811 | V769-I773 HydrophobicContact CG1-CD1 4.12Å; V769-I773 VanDerWaalsContact O-CG1 3.3Å; V769-I773 WeakPolarHBondContact O-CG1 3.18Å; V769-I773 PolarHBondContact O-N 2.89Å; V769-I773 VanDerWaalsContact O-N 3.07Å; Q771-I773 VanDerWaalsContact C-N 3.29Å; Q771-I773 PolarHBondContact O-N 3.02Å; I773-D775 PolarHBondContact O-N 3.02Å; I773-M776 PolarHBondContact O-N 2.81Å; I773-E777 HydrophobicContact CG2-CG 4.47Å; I773-E777 VanDerWaalsContact O-CG 3.3Å; I773-E777 WeakPolarHBondContact O-CG 3.43Å; I773-E777 PolarHBondContact O-N 2.87Å; I773-L790 HydrophobicContact CG1-CD2 4.17Å; I773-I792 HydrophobicContact CD1-CD1 4.34Å; I773-I792 HydrophobicContact CG1-CD1 4.41Å; I773-V805 HydrophobicContact CD1-CB 4.48Å; I773-V805 HydrophobicContact CD1-CG1 3.75Å; I773-L806 HydrophobicContact CD1-CD2 3.65Å; I773-L806 HydrophobicContact CD1-CG 4.01Å; I773-L806 HydrophobicContact CG1-CD2 3.92Å; I773-L811 HydrophobicContact CG2-CD1 4.27Å |
| 774 | T | 94.3 | Very high | 93.7 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 179.6 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | Q770 Q771 L772 E777 E778 | Q770-T774 PolarHBondContact NE2-OG1 3.44Å; Q770-T774 PolarHBondContact O-N 2.83Å; Q770-T774 VanDerWaalsContact O-N 3.13Å; Q770-T774 PolarHBondContact O-OG1 3.04Å; Q771-T774 CarbonylContact O-C 3.52Å; Q771-T774 WeakPolarHBondContact O-CA 3.31Å; Q771-T774 WeakPolarHBondContact O-CB 3.49Å; Q771-T774 PolarHBondContact O-N 3.32Å; L772-T774 VanDerWaalsContact C-N 3.34Å; T774-E777 WeakPolarHBondContact O-CB 3.43Å; T774-E777 PolarHBondContact O-N 3.14Å; T774-E778 PolarHBondContact O-N 3.07Å |
| 775 | D | 94.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 175.6 | -79.7 | 43.2 | 0 | 0 | 0 | 111 | Q771 L772 I773 E777 E778 V779 H851 | Q771-D775 PolarHBondContact NE2-OD1 3.24Å; Q771-D775 PolarHBondContact O-N 3.11Å; L772-D775 PolarHBondContact O-N 2.86Å; I773-D775 PolarHBondContact O-N 3.02Å; D775-E777 VanDerWaalsContact C-N 3.31Å; D775-E777 PolarHBondContact O-N 3.42Å; D775-E778 WeakPolarHBondContact O-CA 3.37Å; D775-E778 WeakPolarHBondContact O-CB 3.25Å; D775-E778 PolarHBondContact O-N 2.94Å; D775-E778 VanDerWaalsContact O-N 3.1Å; D775-V779 WeakPolarHBondContact O-CG2 3.25Å; D775-V779 PolarHBondContact O-N 2.75Å; D775-H851 IonicContact OD2-CE1 3.35Å; D775-H851 IonicContact OD2-CG 2.72Å; D775-H851 IonicContact OD2-ND1 3.17Å; D775-H851 PolarHBondContact OD2-ND1 3.17Å |
| 776 | M | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.3 | -28.6 | 177.4 | -64.3 | -57.6 | -63.8 | 0 | 0 | 112.6 | F758 L772 I773 F780 F788 L790 L811 F852 | F758-M776 HydrophobicContact CD1-CE 4.16Å; F758-M776 HydrophobicContact CD2-CE 3.7Å; F758-M776 HydrophobicContact CE1-CE 4.24Å; F758-M776 HydrophobicContact CE2-CE 3.78Å; F758-M776 HydrophobicContact CG-CE 3.91Å; F758-M776 HydrophobicContact CZ-CE 4.06Å; L772-M776 HydrophobicContact CD1-CG 4.1Å; L772-M776 WeakPolarHBondContact O-CB 3.46Å; L772-M776 VanDerWaalsContact O-CG 3.26Å; L772-M776 WeakPolarHBondContact O-CG 3.27Å; L772-M776 PolarHBondContact O-N 3.33Å; I773-M776 PolarHBondContact O-N 2.81Å; M776-F780 PolarHBondContact O-N 3.18Å; M776-F788 HydrophobicContact CB-CE2 4.48Å; M776-F788 HydrophobicContact CE-CD2 3.64Å; M776-F788 HydrophobicContact CE-CE2 3.42Å; M776-F788 VanDerWaalsContact CE-CE2 3.42Å; M776-F788 HydrophobicContact CE-CZ 4.24Å; M776-L790 HydrophobicContact CG-CD2 4.41Å; M776-L811 VanDerWaalsContact C-CD2 3.48Å; M776-L811 HydrophobicContact CB-CD2 3.73Å; M776-F852 HydrophobicContact SD-CD2 3.89Å; M776-F852 HydrophobicContact SD-CE2 4.26Å; M776-F852 HydrophobicContact SD-CG 4.3Å |
| 777 | E | 96.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -32.6 | 168.7 | -73.6 | -177.5 | 109.2 | 0 | 0 | 112.3 | I773 T774 D775 R781 S810 L811 | I773-E777 HydrophobicContact CG2-CG 4.47Å; I773-E777 VanDerWaalsContact O-CG 3.3Å; I773-E777 WeakPolarHBondContact O-CG 3.43Å; I773-E777 PolarHBondContact O-N 2.87Å; T774-E777 WeakPolarHBondContact O-CB 3.43Å; T774-E777 PolarHBondContact O-N 3.14Å; D775-E777 VanDerWaalsContact C-N 3.31Å; D775-E777 PolarHBondContact O-N 3.42Å; E777-R781 WeakPolarHBondContact O-CB 3.21Å; E777-R781 PolarHBondContact O-N 2.71Å; E777-S810 WeakPolarHBondContact CG-OG 3.2Å; E777-S810 WeakPolarHBondContact OE1-CB 3.25Å; E777-S810 PolarHBondContact OE1-N 2.86Å; E777-S810 PolarHBondContact OE1-OG 3.07Å; E777-L811 HydrophobicContact CB-CD2 4.46Å; E777-L811 HydrophobicContact CG-CD2 3.8Å; E777-L811 HydrophobicContact CG-CG 3.92Å |
| 778 | E | 95.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.9 | -47.5 | 171.4 | -178 | 142.8 | -116.3 | 0 | 0 | 111.6 | T774 D775 F780 R781 E782 | T774-E778 PolarHBondContact O-N 3.07Å; D775-E778 WeakPolarHBondContact O-CA 3.37Å; D775-E778 WeakPolarHBondContact O-CB 3.25Å; D775-E778 PolarHBondContact O-N 2.94Å; D775-E778 VanDerWaalsContact O-N 3.1Å; E778-F780 VanDerWaalsContact C-N 3.27Å; E778-F780 PolarHBondContact O-N 2.85Å; E778-R781 PolarHBondContact O-N 2.94Å; E778-R781 VanDerWaalsContact O-N 3.09Å; E778-R781 IonicContact OE1-CZ 3.64Å; E778-R781 IonicContact OE1-NH2 3.68Å; E778-R781 PolarHBondContact OE1-NH2 3.42Å; E778-R781 IonicContact OE2-NH2 2.75Å; E778-E782 HydrophobicContact CG-CG 4.45Å; E778-E782 PolarHBondContact O-N 3.19Å |
| 779 | V | 95.2 | Very high | 95 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.4 | -44.3 | 173 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | D775 T783 F852 I856 V857 | D775-V779 WeakPolarHBondContact O-CG2 3.25Å; D775-V779 PolarHBondContact O-N 2.75Å; V779-T783 HydrophobicContact CG1-CG2 4.41Å; V779-T783 WeakPolarHBondContact O-CB 3.19Å; V779-T783 VanDerWaalsContact O-CG2 3.25Å; V779-T783 WeakPolarHBondContact O-CG2 3.44Å; V779-T783 PolarHBondContact O-N 3.05Å; V779-T783 VanDerWaalsContact O-N 3.09Å; V779-T783 PolarHBondContact O-OG1 2.03Å; V779-F852 HydrophobicContact CG2-CB 4.19Å; V779-I856 HydrophobicContact CG1-CG2 4.4Å; V779-V857 HydrophobicContact CG1-CG2 4.08Å |
| 780 | F | 96 | Very high | 95.2 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.2 | -179.8 | -129.9 | 0 | 0 | 0 | 112.9 | M776 E778 E782 G784 D785 F788 S810 P812 | M776-F780 PolarHBondContact O-N 3.18Å; E778-F780 VanDerWaalsContact C-N 3.27Å; E778-F780 PolarHBondContact O-N 2.85Å; F780-E782 VanDerWaalsContact C-N 3.31Å; F780-E782 PolarHBondContact O-N 3.39Å; F780-G784 WeakPolarHBondContact O-CA 3.47Å; F780-G784 PolarHBondContact O-N 3.16Å; F780-D785 VanDerWaalsContact CD2-O 3.27Å; F780-D785 WeakPolarHBondContact CD2-O 3.43Å; F780-F788 HydrophobicContact CB-CE1 3.93Å; F780-F788 HydrophobicContact CB-CZ 3.98Å; F780-F788 HydrophobicContact CD2-CE1 4.2Å; F780-F788 HydrophobicContact CG-CE1 4.41Å; F780-S810 WeakPolarHBondContact CD1-O 3.43Å; F780-S810 WeakPolarHBondContact CE1-O 3.37Å; F780-P812 HydrophobicContact CD1-CG 4.45Å; F780-P812 HydrophobicContact CD2-CB 4.41Å; F780-P812 HydrophobicContact CD2-CG 3.78Å; F780-P812 HydrophobicContact CE1-CB 4.35Å; F780-P812 HydrophobicContact CE1-CG 4.45Å; F780-P812 HydrophobicContact CE2-CB 3.94Å; F780-P812 HydrophobicContact CE2-CG 3.8Å; F780-P812 HydrophobicContact CG-CG 4.13Å; F780-P812 HydrophobicContact CZ-CB 3.9Å; F780-P812 HydrophobicContact CZ-CG 4.15Å |
| 781 | R | 95.9 | Very high | 95.5 | Very high | 152 Ų | 152 | 35.7 Ų | 35.7 | 57% | 0.574 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60 | -37.8 | -179.4 | 174.2 | 175.1 | 64.6 | -114.2 | 15.4 | 112.9 | E777 E778 | E777-R781 WeakPolarHBondContact O-CB 3.21Å; E777-R781 PolarHBondContact O-N 2.71Å; E778-R781 PolarHBondContact O-N 2.94Å; E778-R781 VanDerWaalsContact O-N 3.09Å; E778-R781 IonicContact OE1-CZ 3.64Å; E778-R781 IonicContact OE1-NH2 3.68Å; E778-R781 PolarHBondContact OE1-NH2 3.42Å; E778-R781 IonicContact OE2-NH2 2.75Å |
| 782 | E | 94.3 | Very high | 95.7 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -84.8 | -36.3 | -179.4 | -64.4 | -161.2 | 149.7 | 0 | 0 | 113.6 | E778 F780 S854 | E778-E782 HydrophobicContact CG-CG 4.45Å; E778-E782 PolarHBondContact O-N 3.19Å; F780-E782 VanDerWaalsContact C-N 3.31Å; F780-E782 PolarHBondContact O-N 3.39Å; E782-S854 WeakPolarHBondContact OE2-CB 3.17Å; E782-S854 PolarHBondContact OE2-OG 3.17Å |
| 783 | T | 94.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -88.7 | -32.8 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | Y227 V779 D785 S854 | Y227-T783 HydrophobicContact CD2-CG2 3.85Å; Y227-T783 HydrophobicContact CE2-CG2 3.72Å; Y227-T783 HydrophobicContact CG-CG2 4.33Å; V779-T783 HydrophobicContact CG1-CG2 4.41Å; V779-T783 WeakPolarHBondContact O-CB 3.19Å; V779-T783 VanDerWaalsContact O-CG2 3.25Å; V779-T783 WeakPolarHBondContact O-CG2 3.44Å; V779-T783 PolarHBondContact O-N 3.05Å; V779-T783 VanDerWaalsContact O-N 3.09Å; V779-T783 PolarHBondContact O-OG1 2.03Å; T783-D785 PolarHBondContact O-N 3.45Å; T783-D785 WeakPolarHBondContact OG1-CB 3.43Å; T783-D785 PolarHBondContact OG1-N 3.11Å; T783-D785 VanDerWaalsContact OG1-N 3.09Å; T783-S854 WeakPolarHBondContact CG2-O 3.5Å |
| 784 | G | 93.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 34 Ų | 34 | 55% | 0.546 | 18% | 0.182 | S | C | . | . | trans | 66.4 | 10.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F780 S786 | F780-G784 WeakPolarHBondContact O-CA 3.47Å; F780-G784 PolarHBondContact O-N 3.16Å; G784-S786 PolarHBondContact O-N 2.92Å | ||
| 785 | D | 93.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | trans | -76 | 119.5 | -174.3 | -162.1 | -46.6 | 0 | 0 | 0 | 111.3 | F780 T783 N787 F788 R861 | F780-D785 VanDerWaalsContact CD2-O 3.27Å; F780-D785 WeakPolarHBondContact CD2-O 3.43Å; T783-D785 PolarHBondContact O-N 3.45Å; T783-D785 WeakPolarHBondContact OG1-CB 3.43Å; T783-D785 PolarHBondContact OG1-N 3.11Å; T783-D785 VanDerWaalsContact OG1-N 3.09Å; D785-N787 WeakPolarHBondContact OD1-CA 3.01Å; D785-N787 PolarHBondContact OD1-N 3.08Å; D785-F788 VanDerWaalsContact O-CD1 3.28Å; D785-F788 WeakPolarHBondContact O-CD1 3.14Å; D785-F788 WeakPolarHBondContact O-CE1 3.29Å; D785-R861 VanDerWaalsContact CG-NH2 3.25Å; D785-R861 IonicContact OD1-CZ 3.7Å; D785-R861 IonicContact OD1-NH1 3.9Å; D785-R861 IonicContact OD1-NH2 3.82Å; D785-R861 PolarHBondContact OD1-NH2 3.45Å; D785-R861 IonicContact OD2-CZ 3.68Å; D785-R861 VanDerWaalsContact OD2-CZ 3.27Å; D785-R861 IonicContact OD2-NH1 3.54Å; D785-R861 PolarHBondContact OD2-NH1 3.36Å; D785-R861 IonicContact OD2-NH2 3.42Å; D785-R861 PolarHBondContact OD2-NH2 2.76Å | ||
| 786 | S | 93.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 33 Ų | 33 | 43% | 0.427 | 18% | 0.181 | S | C | . | . | trans | -104 | 6.5 | 179.6 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | G784 R813 | G784-S786 PolarHBondContact O-N 2.92Å; S786-R813 PolarHBondContact O-NE 2.83Å; S786-R813 PolarHBondContact O-NH2 2.77Å | ||
| 787 | N | 95.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -103.9 | 44.5 | 174.4 | -69.3 | -23.3 | 0 | 0 | 0 | 110.4 | D753 T755 V756 D785 R813 R861 | D753-N787 PolarHBondContact O-ND2 2.84Å; T755-N787 VanDerWaalsContact CA-O 3.31Å; T755-N787 WeakPolarHBondContact CA-O 2.98Å; V756-N787 PolarHBondContact N-O 3.5Å; D785-N787 WeakPolarHBondContact OD1-CA 3.01Å; D785-N787 PolarHBondContact OD1-N 3.08Å; N787-R813 PolarHBondContact OD1-NH2 2.87Å; N787-R861 PolarHBondContact O-NH2 3.45Å |
| 788 | F | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.1 | 157.6 | 82.9 | -89.4 | 0 | 0 | 0 | 109.8 | V756 F758 M776 F780 D785 L811 P812 V857 | V756-F788 HydrophobicContact CB-CB 4.42Å; V756-F788 CarbonylContact O-C 3.52Å; V756-F788 WeakPolarHBondContact O-CA 3.5Å; V756-F788 WeakPolarHBondContact O-CB 3.35Å; F758-F788 HydrophobicContact CD2-CD2 4.25Å; F758-F788 HydrophobicContact CE2-CB 4.23Å; F758-F788 HydrophobicContact CE2-CD2 4.35Å; M776-F788 HydrophobicContact CB-CE2 4.48Å; M776-F788 HydrophobicContact CE-CD2 3.64Å; M776-F788 HydrophobicContact CE-CE2 3.42Å; M776-F788 VanDerWaalsContact CE-CE2 3.42Å; M776-F788 HydrophobicContact CE-CZ 4.24Å; F780-F788 HydrophobicContact CB-CE1 3.93Å; F780-F788 HydrophobicContact CB-CZ 3.98Å; F780-F788 HydrophobicContact CD2-CE1 4.2Å; F780-F788 HydrophobicContact CG-CE1 4.41Å; D785-F788 VanDerWaalsContact O-CD1 3.28Å; D785-F788 WeakPolarHBondContact O-CD1 3.14Å; D785-F788 WeakPolarHBondContact O-CE1 3.29Å; F788-L811 HydrophobicContact CE2-CD2 4.41Å; F788-L811 HydrophobicContact CZ-CD2 4.23Å; F788-P812 HydrophobicContact CE1-CG 4Å; F788-P812 HydrophobicContact CZ-CG 4.23Å; F788-V857 HydrophobicContact CB-CG1 4.22Å; F788-V857 HydrophobicContact CB-CG2 4.31Å; F788-V857 HydrophobicContact CD1-CG2 4.5Å; F788-V857 HydrophobicContact CG-CG2 4.45Å |
| 789 | N | 97.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 133.5 | -179.2 | 173.9 | 86.6 | 0 | 0 | 0 | 110.4 | T755 V756 H757 F758 I791 R813 Y814 | T755-N789 HydrophobicContact CG2-CB 4.49Å; V756-N789 PolarHBondContact O-N 3.26Å; H757-N789 CarbonylContact C-O 3.6Å; H757-N789 WeakPolarHBondContact CA-O 3.38Å; F758-N789 PolarHBondContact N-O 3.45Å; N789-I791 WeakPolarHBondContact ND2-CG1 3.44Å; N789-R813 HydrophobicContact CB-CB 3.98Å; N789-R813 VanDerWaalsContact OD1-CB 3.3Å; N789-R813 WeakPolarHBondContact OD1-CB 3.21Å; N789-Y814 WeakPolarHBondContact OD1-CA 3.46Å; N789-Y814 PolarHBondContact OD1-N 2.91Å |
| 790 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.2 | 176.1 | -179.2 | 60.5 | 0 | 0 | 0 | 110.9 | F758 L772 I773 M776 I792 L806 L811 R813 Y814 Q815 | F758-L790 HydrophobicContact CB-CD1 4.06Å; L772-L790 HydrophobicContact CD2-CD1 4.33Å; I773-L790 HydrophobicContact CG1-CD2 4.17Å; M776-L790 HydrophobicContact CG-CD2 4.41Å; L790-I792 HydrophobicContact CD1-CG1 4.43Å; L790-I792 HydrophobicContact CD2-CD1 4.14Å; L790-I792 HydrophobicContact CD2-CG1 4.37Å; L790-I792 HydrophobicContact CG-CD1 4.38Å; L790-I792 HydrophobicContact CG-CG1 4.06Å; L790-L806 HydrophobicContact CD2-CD2 4.27Å; L790-L811 HydrophobicContact CB-CD1 4.36Å; L790-L811 HydrophobicContact CD2-CD1 3.76Å; L790-R813 PolarHBondContact N-O 2.68Å; L790-Y814 CarbonylContact O-C 3.59Å; L790-Y814 WeakPolarHBondContact O-CA 3.36Å; L790-Y814 WeakPolarHBondContact O-CB 3.3Å; L790-Q815 PolarHBondContact O-N 2.89Å |
| 791 | I | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.4 | 175.7 | -51.4 | -174.8 | 0 | 0 | 0 | 108.9 | H757 F758 I759 V760 N789 T793 Q815 G832 L835 I836 | H757-I791 HydrophobicContact CB-CD1 4.19Å; F758-I791 PolarHBondContact O-N 3.16Å; I759-I791 WeakPolarHBondContact CA-O 3.4Å; I759-I791 HydrophobicContact CD1-CD1 4.32Å; I759-I791 HydrophobicContact CG1-CB 4.3Å; I759-I791 HydrophobicContact CG1-CD1 4.19Å; I759-I791 HydrophobicContact CG2-CB 4.37Å; I759-I791 HydrophobicContact CG2-CG2 4.4Å; V760-I791 PolarHBondContact N-O 3Å; N789-I791 WeakPolarHBondContact ND2-CG1 3.44Å; I791-T793 HydrophobicContact CG2-CG2 4.13Å; I791-Q815 WeakPolarHBondContact CA-O 3.34Å; I791-Q815 VanDerWaalsContact CD1-OE1 3.31Å; I791-Q815 HydrophobicContact CG1-CB 4.26Å; I791-Q815 HydrophobicContact CG2-CB 4.36Å; I791-G832 WeakPolarHBondContact CD1-O 3.5Å; I791-L835 HydrophobicContact CG2-CD1 3.94Å; I791-I836 HydrophobicContact CD1-CD1 3.89Å; I791-I836 HydrophobicContact CD1-CG1 3.8Å |
| 792 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.2 | 174.7 | -54 | -170.7 | 0 | 0 | 0 | 109.9 | V760 V762 V769 I773 L790 V802 L806 Q815 Y816 V817 | V760-I792 WeakPolarHBondContact O-CA 3.49Å; V762-I792 HydrophobicContact CB-CG2 4.31Å; V762-I792 HydrophobicContact CG1-CG2 3.78Å; V762-I792 HydrophobicContact CG2-CG2 3.49Å; V762-I792 VanDerWaalsContact CG2-CG2 3.49Å; V769-I792 HydrophobicContact CG1-CD1 4.01Å; I773-I792 HydrophobicContact CD1-CD1 4.34Å; I773-I792 HydrophobicContact CG1-CD1 4.41Å; L790-I792 HydrophobicContact CD1-CG1 4.43Å; L790-I792 HydrophobicContact CD2-CD1 4.14Å; L790-I792 HydrophobicContact CD2-CG1 4.37Å; L790-I792 HydrophobicContact CG-CD1 4.38Å; L790-I792 HydrophobicContact CG-CG1 4.06Å; I792-V802 HydrophobicContact CB-CG1 4.44Å; I792-V802 HydrophobicContact CD1-CG1 4.19Å; I792-V802 HydrophobicContact CG2-CG1 3.97Å; I792-L806 HydrophobicContact CD1-CD1 4.14Å; I792-L806 HydrophobicContact CD1-CD2 4.09Å; I792-L806 HydrophobicContact CD1-CG 4.43Å; I792-L806 HydrophobicContact CG1-CD1 4.4Å; I792-Q815 PolarHBondContact N-O 2.88Å; I792-Y816 WeakPolarHBondContact O-CA 3.01Å; I792-V817 PolarHBondContact O-N 3.07Å; I792-V817 VanDerWaalsContact O-N 3.11Å |
| 793 | T | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 108.6 | 179.1 | 76 | 0 | 0 | 0 | 0 | 110.2 | I759 V760 P761 V762 I791 V817 G828 | I759-T793 HydrophobicContact CG2-CG2 4.49Å; V760-T793 PolarHBondContact O-N 2.94Å; P761-T793 CarbonylContact C-O 3.59Å; P761-T793 WeakPolarHBondContact CA-O 3.14Å; P761-T793 WeakPolarHBondContact CA-OG1 3.5Å; V762-T793 PolarHBondContact N-O 2.69Å; I791-T793 HydrophobicContact CG2-CG2 4.13Å; T793-V817 WeakPolarHBondContact CA-O 3.16Å; T793-V817 HydrophobicContact CG2-CG1 3.49Å; T793-V817 VanDerWaalsContact CG2-CG1 3.49Å; T793-G828 WeakPolarHBondContact CB-O 3.45Å; T793-G828 VanDerWaalsContact CG2-O 3.23Å; T793-G828 WeakPolarHBondContact CG2-O 3.23Å; T793-G828 VanDerWaalsContact OG1-C 3.27Å; T793-G828 WeakPolarHBondContact OG1-CA 3.49Å; T793-G828 PolarHBondContact OG1-O 2.86Å |
| 794 | D | 96.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.1 | -163.6 | 168.1 | 37.6 | 0 | 0 | 0 | 112.3 | V762 G796 S797 Y816 V817 L819 | V762-D794 HydrophobicContact CG2-CB 3.83Å; D794-G796 PolarHBondContact O-N 2.98Å; D794-G796 PolarHBondContact OD1-N 2.91Å; D794-S797 WeakPolarHBondContact OD1-CB 3.35Å; D794-S797 PolarHBondContact OD1-N 3.36Å; D794-S797 PolarHBondContact OD1-OG 3.25Å; D794-Y816 HydrophobicContact CB-CD2 4.37Å; D794-Y816 HydrophobicContact CB-CE2 3.41Å; D794-Y816 VanDerWaalsContact CB-CE2 3.41Å; D794-Y816 PolarHBondContact OD2-OH 2.92Å; D794-V817 PolarHBondContact N-O 3.1Å; D794-L819 PolarHBondContact O-N 3.25Å |
| 795 | Y | 93.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -77.6 | 40 | 178.1 | -79.6 | -87 | 0 | 0 | 0 | 114 | V762 K763 L819 N822 F823 E824 G828 | V762-Y795 PolarHBondContact O-N 3.29Å; K763-Y795 WeakPolarHBondContact CE-O 3.41Å; K763-Y795 PolarHBondContact NZ-O 3.17Å; Y795-L819 CarbonylContact C-O 3.48Å; Y795-L819 HydrophobicContact CD1-CB 3.84Å; Y795-L819 HydrophobicContact CD2-CB 4.49Å; Y795-L819 HydrophobicContact CD2-CD1 4.22Å; Y795-L819 HydrophobicContact CE1-CB 3.87Å; Y795-L819 HydrophobicContact CE1-CD1 4.11Å; Y795-L819 HydrophobicContact CE2-CD1 3.65Å; Y795-L819 HydrophobicContact CG-CB 4.17Å; Y795-N822 WeakPolarHBondContact CD1-O 3.4Å; Y795-N822 WeakPolarHBondContact CE1-O 3.29Å; Y795-F823 AromaticContact CD2-CD2 3.65Å; Y795-F823 HydrophobicContact CD2-CD2 3.65Å; Y795-F823 HydrophobicContact CD2-CE2 4.16Å; Y795-F823 HydrophobicContact CE2-CD2 4.17Å; Y795-F823 HydrophobicContact CE2-CE2 4.5Å; Y795-F823 HydrophobicContact CG-CD2 4.26Å; Y795-E824 PolarHBondContact OH-O 3.46Å; Y795-E824 VanDerWaalsContact OH-O 3.07Å; Y795-G828 WeakPolarHBondContact OH-CA 3.27Å; Y795-G828 PolarHBondContact OH-N 2.72Å |
| 796 | G | 91.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 25.5 Ų | 25.5 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | trans | 74.5 | 50.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D794 | D794-G796 PolarHBondContact O-N 2.98Å; D794-G796 PolarHBondContact OD1-N 2.91Å | ||
| 797 | S | 91.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | trans | -58.7 | 145.1 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | K763 N764 D794 | K763-S797 WeakPolarHBondContact CA-OG 3.07Å; N764-S797 PolarHBondContact N-OG 2.89Å; N764-S797 VanDerWaalsContact OD1-CA 3.3Å; N764-S797 WeakPolarHBondContact OD1-CA 3.47Å; D794-S797 WeakPolarHBondContact OD1-CB 3.35Å; D794-S797 PolarHBondContact OD1-N 3.36Å; D794-S797 PolarHBondContact OD1-OG 3.25Å | ||
| 798 | T | 89.6 | Confident | 94.5 | Very high | 101 Ų | 101 | 32.5 Ų | 32.5 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -117 | -14.1 | -176.6 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | N764 | N764-T798 PolarHBondContact OD1-N 3.34Å; N764-T798 PolarHBondContact OD1-OG1 3.45Å |
| 799 | D | 87.9 | Confident | 94.4 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -88.5 | -15.4 | -176 | 62.7 | -21 | 0 | 0 | 0 | 114.2 | R189 M190 S191 N764 Q765 A766 | R189-D799 WeakPolarHBondContact CB-O 3.27Å; M190-D799 HydrophobicContact CB-CB 4.27Å; M190-D799 HydrophobicContact CG-CB 4.18Å; M190-D799 PolarHBondContact N-O 3.46Å; M190-D799 VanDerWaalsContact N-O 3.12Å; S191-D799 PolarHBondContact N-O 3.08Å; N764-D799 WeakPolarHBondContact CA-OD1 3.18Å; N764-D799 WeakPolarHBondContact CA-OD2 3.44Å; Q765-D799 PolarHBondContact N-OD2 2.85Å; A766-D799 HydrophobicContact CB-CB 4.14Å; A766-D799 VanDerWaalsContact CB-CG 3.47Å; A766-D799 WeakPolarHBondContact CB-OD2 3.44Å; A766-D799 PolarHBondContact N-OD2 3.02Å |
| 800 | M | 90.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | trans | -148.6 | 157.7 | 175.3 | -176.6 | 154.4 | 89.8 | 0 | 0 | 111.8 | S191 A766 V769 V802 V805 | S191-M800 VanDerWaalsContact CB-CG 3.43Å; S191-M800 VanDerWaalsContact CB-SD 3.51Å; A766-M800 HydrophobicContact CB-CB 3.56Å; A766-M800 HydrophobicContact CB-CG 4.45Å; A766-M800 HydrophobicContact CB-SD 4.14Å; V769-M800 HydrophobicContact CB-CE 3.55Å; V769-M800 HydrophobicContact CG1-CE 3.4Å; V769-M800 VanDerWaalsContact CG1-CE 3.4Å; M800-V802 HydrophobicContact CE-CG2 4.16Å; M800-V805 HydrophobicContact CE-CG2 4.36Å; M800-V805 HydrophobicContact CG-CG2 4.03Å; M800-V805 HydrophobicContact SD-CG2 3.84Å | ||
| 801 | D | 93.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | trans | -94.9 | 88.1 | 164.4 | -147.4 | -68.7 | 0 | 0 | 0 | 109.9 | R189 E803 Q804 V805 | R189-D801 IonicContact CZ-OD2 2.68Å; R189-D801 IonicContact NH1-OD2 3.98Å; R189-D801 PolarHBondContact NH1-OD2 3.4Å; R189-D801 IonicContact NH2-OD2 3.77Å; D801-E803 VanDerWaalsContact C-N 3.34Å; D801-E803 PolarHBondContact O-N 3.07Å; D801-Q804 HydrophobicContact CB-CB 3.9Å; D801-Q804 PolarHBondContact O-N 2.89Å; D801-Q804 WeakPolarHBondContact OD1-CB 3.26Å; D801-Q804 PolarHBondContact OD1-N 3.24Å; D801-V805 WeakPolarHBondContact O-CG2 3.31Å; D801-V805 PolarHBondContact O-N 3.34Å; D801-V805 VanDerWaalsContact O-N 3.08Å | ||
| 802 | V | 94.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | -171.4 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | V769 I792 M800 V805 L806 Y816 | V769-V802 HydrophobicContact CG1-CG1 4.09Å; V769-V802 HydrophobicContact CG1-CG2 4.37Å; I792-V802 HydrophobicContact CB-CG1 4.44Å; I792-V802 HydrophobicContact CD1-CG1 4.19Å; I792-V802 HydrophobicContact CG2-CG1 3.97Å; M800-V802 HydrophobicContact CE-CG2 4.16Å; V802-V805 PolarHBondContact O-N 3.26Å; V802-L806 HydrophobicContact CG1-CD1 4.21Å; V802-L806 WeakPolarHBondContact O-CG 3.24Å; V802-L806 PolarHBondContact O-N 2.87Å; V802-Y816 HydrophobicContact CB-CD2 4.27Å; V802-Y816 HydrophobicContact CB-CE2 3.83Å; V802-Y816 HydrophobicContact CG1-CD2 3.91Å; V802-Y816 HydrophobicContact CG1-CE2 3.93Å |
| 803 | E | 95 | Very high | 93.8 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.8 | -160.5 | -172.4 | 155.3 | 0 | 0 | 111.4 | D801 V805 L806 Q807 Y816 | D801-E803 VanDerWaalsContact C-N 3.34Å; D801-E803 PolarHBondContact O-N 3.07Å; E803-V805 VanDerWaalsContact C-N 3.28Å; E803-V805 PolarHBondContact O-N 3.26Å; E803-L806 PolarHBondContact O-N 3.5Å; E803-Q807 WeakPolarHBondContact O-CB 3.35Å; E803-Q807 VanDerWaalsContact O-CG 3.26Å; E803-Q807 WeakPolarHBondContact O-CG 3.49Å; E803-Q807 PolarHBondContact O-N 3.23Å; E803-Q807 PolarHBondContact OE1-NE2 3.07Å; E803-Q807 VanDerWaalsContact OE1-NE2 3.14Å; E803-Y816 HydrophobicContact CB-CD1 3.74Å; E803-Y816 HydrophobicContact CB-CE1 3.9Å; E803-Y816 HydrophobicContact CB-CG 4.1Å; E803-Y816 HydrophobicContact CG-CD1 3.71Å; E803-Y816 HydrophobicContact CG-CE1 4.29Å; E803-Y816 HydrophobicContact CG-CG 4.14Å |
| 804 | Q | 94.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -28.3 | 177.6 | -163.4 | -169.2 | 98.4 | 0 | 0 | 113.2 | D801 K808 | D801-Q804 HydrophobicContact CB-CB 3.9Å; D801-Q804 PolarHBondContact O-N 2.89Å; D801-Q804 WeakPolarHBondContact OD1-CB 3.26Å; D801-Q804 PolarHBondContact OD1-N 3.24Å; Q804-K808 WeakPolarHBondContact O-CD 3.4Å; Q804-K808 VanDerWaalsContact O-CG 3.32Å; Q804-K808 WeakPolarHBondContact O-CG 3.4Å; Q804-K808 PolarHBondContact O-N 3.15Å |
| 805 | V | 93.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.1 | -44.8 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I773 M800 D801 V802 E803 Q807 K808 S809 | I773-V805 HydrophobicContact CD1-CB 4.48Å; I773-V805 HydrophobicContact CD1-CG1 3.75Å; M800-V805 HydrophobicContact CE-CG2 4.36Å; M800-V805 HydrophobicContact CG-CG2 4.03Å; M800-V805 HydrophobicContact SD-CG2 3.84Å; D801-V805 WeakPolarHBondContact O-CG2 3.31Å; D801-V805 PolarHBondContact O-N 3.34Å; D801-V805 VanDerWaalsContact O-N 3.08Å; V802-V805 PolarHBondContact O-N 3.26Å; E803-V805 VanDerWaalsContact C-N 3.28Å; E803-V805 PolarHBondContact O-N 3.26Å; V805-Q807 VanDerWaalsContact C-N 3.31Å; V805-Q807 PolarHBondContact O-N 3.13Å; V805-K808 PolarHBondContact O-N 3.3Å; V805-S809 PolarHBondContact O-N 2.77Å; V805-S809 VanDerWaalsContact O-N 3.14Å |
| 806 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 173.3 | -71.8 | 169.3 | 0 | 0 | 0 | 111.9 | I773 L790 I792 V802 E803 K808 S809 L811 Y814 | I773-L806 HydrophobicContact CD1-CD2 3.65Å; I773-L806 HydrophobicContact CD1-CG 4.01Å; I773-L806 HydrophobicContact CG1-CD2 3.92Å; L790-L806 HydrophobicContact CD2-CD2 4.27Å; I792-L806 HydrophobicContact CD1-CD1 4.14Å; I792-L806 HydrophobicContact CD1-CD2 4.09Å; I792-L806 HydrophobicContact CD1-CG 4.43Å; I792-L806 HydrophobicContact CG1-CD1 4.4Å; V802-L806 HydrophobicContact CG1-CD1 4.21Å; V802-L806 WeakPolarHBondContact O-CG 3.24Å; V802-L806 PolarHBondContact O-N 2.87Å; E803-L806 PolarHBondContact O-N 3.5Å; L806-K808 PolarHBondContact O-N 3.27Å; L806-K808 VanDerWaalsContact O-N 3.17Å; L806-S809 WeakPolarHBondContact O-CB 3.49Å; L806-S809 PolarHBondContact O-N 2.91Å; L806-S809 PolarHBondContact O-OG 3.41Å; L806-L811 HydrophobicContact CD2-CD1 4.2Å; L806-Y814 HydrophobicContact CB-CD1 4.41Å; L806-Y814 HydrophobicContact CB-CD2 3.74Å; L806-Y814 HydrophobicContact CB-CE1 4.5Å; L806-Y814 HydrophobicContact CB-CE2 3.85Å; L806-Y814 HydrophobicContact CB-CG 4.06Å; L806-Y814 HydrophobicContact CD1-CD2 4.13Å; L806-Y814 HydrophobicContact CD2-CG 4.21Å; L806-Y814 HydrophobicContact CG-CD2 4.35Å; L806-Y814 VanDerWaalsContact O-CE1 3.32Å; L806-Y814 WeakPolarHBondContact O-CE1 3.38Å |
| 807 | Q | 95.8 | Very high | 94.3 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.9 | 175.2 | -72.9 | 173.2 | 11.8 | 0 | 0 | 114.7 | E803 V805 Y814 | E803-Q807 WeakPolarHBondContact O-CB 3.35Å; E803-Q807 VanDerWaalsContact O-CG 3.26Å; E803-Q807 WeakPolarHBondContact O-CG 3.49Å; E803-Q807 PolarHBondContact O-N 3.23Å; E803-Q807 PolarHBondContact OE1-NE2 3.07Å; E803-Q807 VanDerWaalsContact OE1-NE2 3.14Å; V805-Q807 VanDerWaalsContact C-N 3.31Å; V805-Q807 PolarHBondContact O-N 3.13Å; Q807-Y814 WeakPolarHBondContact CA-OH 3.27Å |
| 808 | K | 94.8 | Very high | 94.6 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -11.4 | 175.8 | -69.2 | 167.9 | -173.3 | 166.1 | 0 | 113.4 | Q804 V805 L806 | Q804-K808 WeakPolarHBondContact O-CD 3.4Å; Q804-K808 VanDerWaalsContact O-CG 3.32Å; Q804-K808 WeakPolarHBondContact O-CG 3.4Å; Q804-K808 PolarHBondContact O-N 3.15Å; V805-K808 PolarHBondContact O-N 3.3Å; L806-K808 PolarHBondContact O-N 3.27Å; L806-K808 VanDerWaalsContact O-N 3.17Å |
| 809 | S | 95.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -72.5 | 158.7 | -178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | V805 L806 L811 | V805-S809 PolarHBondContact O-N 2.77Å; V805-S809 VanDerWaalsContact O-N 3.14Å; L806-S809 WeakPolarHBondContact O-CB 3.49Å; L806-S809 PolarHBondContact O-N 2.91Å; L806-S809 PolarHBondContact O-OG 3.41Å; S809-L811 VanDerWaalsContact C-N 3.29Å |
| 810 | S | 95.7 | Very high | 95 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 49% | 0.49 | 30% | 0.301 | S | S | . | . | trans | -87.3 | 8.1 | 172.7 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | E777 F780 | E777-S810 WeakPolarHBondContact CG-OG 3.2Å; E777-S810 WeakPolarHBondContact OE1-CB 3.25Å; E777-S810 PolarHBondContact OE1-N 2.86Å; E777-S810 PolarHBondContact OE1-OG 3.07Å; F780-S810 WeakPolarHBondContact CD1-O 3.43Å; F780-S810 WeakPolarHBondContact CE1-O 3.37Å | ||
| 811 | L | 95.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | trans | -62.1 | 136.9 | 179 | -65.1 | 176 | 0 | 0 | 0 | 111.6 | I773 M776 E777 F788 L790 L806 S809 R813 Y814 | I773-L811 HydrophobicContact CG2-CD1 4.27Å; M776-L811 VanDerWaalsContact C-CD2 3.48Å; M776-L811 HydrophobicContact CB-CD2 3.73Å; E777-L811 HydrophobicContact CB-CD2 4.46Å; E777-L811 HydrophobicContact CG-CD2 3.8Å; E777-L811 HydrophobicContact CG-CG 3.92Å; F788-L811 HydrophobicContact CE2-CD2 4.41Å; F788-L811 HydrophobicContact CZ-CD2 4.23Å; L790-L811 HydrophobicContact CB-CD1 4.36Å; L790-L811 HydrophobicContact CD2-CD1 3.76Å; L806-L811 HydrophobicContact CD2-CD1 4.2Å; S809-L811 VanDerWaalsContact C-N 3.29Å; L811-R813 PolarHBondContact O-N 2.99Å; L811-Y814 HydrophobicContact CB-CD1 4.46Å | ||
| 812 | P | 92.1 | Very high | 94.6 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.9 | -29.4 | -175.2 | 29.3 | -35.2 | 0 | 0 | 0 | 113 | F780 F788 | F780-P812 HydrophobicContact CD1-CG 4.45Å; F780-P812 HydrophobicContact CD2-CB 4.41Å; F780-P812 HydrophobicContact CD2-CG 3.78Å; F780-P812 HydrophobicContact CE1-CB 4.35Å; F780-P812 HydrophobicContact CE1-CG 4.45Å; F780-P812 HydrophobicContact CE2-CB 3.94Å; F780-P812 HydrophobicContact CE2-CG 3.8Å; F780-P812 HydrophobicContact CG-CG 4.13Å; F780-P812 HydrophobicContact CZ-CB 3.9Å; F780-P812 HydrophobicContact CZ-CG 4.15Å; F788-P812 HydrophobicContact CE1-CG 4Å; F788-P812 HydrophobicContact CZ-CG 4.23Å |
| 813 | R | 96.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | trans | -150.1 | 135.2 | 176.3 | -54.3 | -176.7 | -169.5 | 158.3 | 14.8 | 109.8 | T755 S786 N787 N789 L790 L811 | T755-R813 PolarHBondContact OG1-NH1 3.13Å; S786-R813 PolarHBondContact O-NE 2.83Å; S786-R813 PolarHBondContact O-NH2 2.77Å; N787-R813 PolarHBondContact OD1-NH2 2.87Å; N789-R813 HydrophobicContact CB-CB 3.98Å; N789-R813 VanDerWaalsContact OD1-CB 3.3Å; N789-R813 WeakPolarHBondContact OD1-CB 3.21Å; L790-R813 PolarHBondContact N-O 2.68Å; L811-R813 PolarHBondContact O-N 2.99Å | ||
| 814 | Y | 97.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 162.5 | 169.6 | 61.1 | -97.1 | 0 | 0 | 0 | 110.4 | N789 L790 L806 Q807 L811 | N789-Y814 WeakPolarHBondContact OD1-CA 3.46Å; N789-Y814 PolarHBondContact OD1-N 2.91Å; L790-Y814 CarbonylContact O-C 3.59Å; L790-Y814 WeakPolarHBondContact O-CA 3.36Å; L790-Y814 WeakPolarHBondContact O-CB 3.3Å; L806-Y814 HydrophobicContact CB-CD1 4.41Å; L806-Y814 HydrophobicContact CB-CD2 3.74Å; L806-Y814 HydrophobicContact CB-CE1 4.5Å; L806-Y814 HydrophobicContact CB-CE2 3.85Å; L806-Y814 HydrophobicContact CB-CG 4.06Å; L806-Y814 HydrophobicContact CD1-CD2 4.13Å; L806-Y814 HydrophobicContact CD2-CG 4.21Å; L806-Y814 HydrophobicContact CG-CD2 4.35Å; L806-Y814 VanDerWaalsContact O-CE1 3.32Å; L806-Y814 WeakPolarHBondContact O-CE1 3.38Å; Q807-Y814 WeakPolarHBondContact CA-OH 3.27Å; L811-Y814 HydrophobicContact CB-CD1 4.46Å |
| 815 | Q | 97.7 | Very high | 94 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.8 | 170.3 | -64.7 | 177 | -21.3 | 0 | 0 | 109.4 | L790 I791 I792 L835 | L790-Q815 PolarHBondContact O-N 2.89Å; I791-Q815 WeakPolarHBondContact CA-O 3.34Å; I791-Q815 VanDerWaalsContact CD1-OE1 3.31Å; I791-Q815 HydrophobicContact CG1-CB 4.26Å; I791-Q815 HydrophobicContact CG2-CB 4.36Å; I792-Q815 PolarHBondContact N-O 2.88Å; Q815-L835 HydrophobicContact CB-CD1 4.33Å |
| 816 | Y | 97.6 | Very high | 94 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.6 | 175.7 | 171.3 | -102.3 | 0 | 0 | 0 | 109 | I792 D794 V802 E803 K818 | I792-Y816 WeakPolarHBondContact O-CA 3.01Å; D794-Y816 HydrophobicContact CB-CD2 4.37Å; D794-Y816 HydrophobicContact CB-CE2 3.41Å; D794-Y816 VanDerWaalsContact CB-CE2 3.41Å; D794-Y816 PolarHBondContact OD2-OH 2.92Å; V802-Y816 HydrophobicContact CB-CD2 4.27Å; V802-Y816 HydrophobicContact CB-CE2 3.83Å; V802-Y816 HydrophobicContact CG1-CD2 3.91Å; V802-Y816 HydrophobicContact CG1-CE2 3.93Å; E803-Y816 HydrophobicContact CB-CD1 3.74Å; E803-Y816 HydrophobicContact CB-CE1 3.9Å; E803-Y816 HydrophobicContact CB-CG 4.1Å; E803-Y816 HydrophobicContact CG-CD1 3.71Å; E803-Y816 HydrophobicContact CG-CE1 4.29Å; E803-Y816 HydrophobicContact CG-CG 4.14Å; Y816-K818 HydrophobicContact CE1-CB 4.07Å |
| 817 | V | 96.9 | Very high | 93.9 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.7 | 171 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | I792 T793 D794 L819 L835 | I792-V817 PolarHBondContact O-N 3.07Å; I792-V817 VanDerWaalsContact O-N 3.11Å; T793-V817 WeakPolarHBondContact CA-O 3.16Å; T793-V817 HydrophobicContact CG2-CG1 3.49Å; T793-V817 VanDerWaalsContact CG2-CG1 3.49Å; D794-V817 PolarHBondContact N-O 3.1Å; V817-L819 HydrophobicContact CG2-CD2 4.17Å; V817-L835 HydrophobicContact CB-CD1 4.14Å; V817-L835 HydrophobicContact CG1-CD1 3.91Å |
| 818 | K | 96.3 | Very high | 93.9 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 59% | 0.587 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.3 | -178.6 | -165.9 | 168.2 | -164.9 | 139.1 | 0 | 110.7 | Y816 | Y816-K818 HydrophobicContact CE1-CB 4.07Å |
| 819 | L | 95.3 | Very high | 94 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -107.6 | 152.3 | -177.4 | -57.3 | 179.4 | 0 | 0 | 0 | 110.9 | D794 Y795 V817 A831 | D794-L819 PolarHBondContact O-N 3.25Å; Y795-L819 CarbonylContact C-O 3.48Å; Y795-L819 HydrophobicContact CD1-CB 3.84Å; Y795-L819 HydrophobicContact CD2-CB 4.49Å; Y795-L819 HydrophobicContact CD2-CD1 4.22Å; Y795-L819 HydrophobicContact CE1-CB 3.87Å; Y795-L819 HydrophobicContact CE1-CD1 4.11Å; Y795-L819 HydrophobicContact CE2-CD1 3.65Å; Y795-L819 HydrophobicContact CG-CB 4.17Å; V817-L819 HydrophobicContact CG2-CD2 4.17Å; L819-A831 HydrophobicContact CD1-CB 3.97Å; L819-A831 HydrophobicContact CD2-CB 3.88Å | ||
| 820 | S | 91.4 | Very high | 94 | Very high | 120 Ų | 120 | 46.1 Ų | 46.1 | 84% | 0.839 | 25% | 0.25 | S | C | * | . | trans | -115.3 | 131.2 | -179.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 821 | G | 88.4 | Confident | 94.1 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 49% | 0.485 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 138.7 | -154.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K763 | K763-G821 PolarHBondContact NZ-O 3.07Š|
| 822 | N | 87 | Confident | 94.2 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.5 | 169.4 | 163.5 | -68.8 | -23.3 | 0 | 0 | 0 | 109.5 | Y795 E919 | Y795-N822 WeakPolarHBondContact CD1-O 3.4Å; Y795-N822 WeakPolarHBondContact CE1-O 3.29Å; N822-E919 HydrophobicContact CB-CG 4.47Å; N822-E919 PolarHBondContact ND2-OE1 3.36Å |
| 823 | F | 88.6 | Confident | 94.5 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -78 | 132.4 | 179.5 | -178.9 | -102.4 | 0 | 0 | 0 | 110.1 | P761 K763 Y795 R825 W958 | P761-F823 HydrophobicContact CB-CE2 3.98Å; P761-F823 HydrophobicContact CB-CZ 4.21Å; P761-F823 HydrophobicContact CG-CE2 4.45Å; P761-F823 HydrophobicContact CG-CZ 4.19Å; K763-F823 HydrophobicContact CB-CD2 3.88Å; K763-F823 HydrophobicContact CD-CB 3.96Å; Y795-F823 AromaticContact CD2-CD2 3.65Å; Y795-F823 HydrophobicContact CD2-CD2 3.65Å; Y795-F823 HydrophobicContact CD2-CE2 4.16Å; Y795-F823 HydrophobicContact CE2-CD2 4.17Å; Y795-F823 HydrophobicContact CE2-CE2 4.5Å; Y795-F823 HydrophobicContact CG-CD2 4.26Å; F823-R825 HydrophobicContact CE1-CB 4.27Å; F823-W958 HydrophobicContact CD1-CD2 4.39Å; F823-W958 HydrophobicContact CD1-CE3 4.08Å; F823-W958 AromaticContact CD1-CH2 3.99Å; F823-W958 HydrophobicContact CD1-CH2 3.99Å; F823-W958 HydrophobicContact CD1-CZ2 4.25Å; F823-W958 AromaticContact CD1-CZ3 3.88Å; F823-W958 HydrophobicContact CD1-CZ3 3.88Å; F823-W958 AromaticContact CE1-CH2 3.81Å; F823-W958 HydrophobicContact CE1-CH2 3.81Å; F823-W958 AromaticContact CE1-CZ2 3.88Å; F823-W958 HydrophobicContact CE1-CZ2 3.88Å; F823-W958 HydrophobicContact CE1-CZ3 4.2Å | ||
| 824 | E | 90.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | trans | -140.5 | 104.8 | 178.8 | -60.1 | -172.6 | 170.7 | 0 | 0 | 108.8 | Y795 S826 A827 G828 R918 | Y795-E824 PolarHBondContact OH-O 3.46Å; Y795-E824 VanDerWaalsContact OH-O 3.07Å; E824-S826 PolarHBondContact O-N 3.32Å; E824-A827 HydrophobicContact CB-CB 3.98Å; E824-A827 PolarHBondContact O-N 3.33Å; E824-G828 PolarHBondContact O-N 3.44Å; E824-R918 WeakPolarHBondContact CA-O 3.5Å; E824-R918 HydrophobicContact CG-CB 4.19Å | ||
| 825 | R | 90.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | -172.3 | -176.3 | 173.9 | -176.1 | -79.2 | -5.4 | 112.1 | P761 F823 A827 G828 L829 D847 G897 E924 W958 | P761-R825 HydrophobicContact CG-CG 4.11Å; F823-R825 HydrophobicContact CE1-CB 4.27Å; R825-A827 PolarHBondContact O-N 2.78Å; R825-G828 PolarHBondContact O-N 2.71Å; R825-L829 HydrophobicContact CG-CD1 4.03Å; R825-L829 WeakPolarHBondContact O-CB 3.11Å; R825-L829 WeakPolarHBondContact O-CG 3.43Å; R825-L829 PolarHBondContact O-N 3.38Å; R825-D847 IonicContact CZ-OD1 3.57Å; R825-D847 VanDerWaalsContact CZ-OD1 3.22Å; R825-D847 IonicContact NE-OD1 2.87Å; R825-D847 PolarHBondContact NE-OD1 2.9Å; R825-D847 IonicContact NH2-OD1 3.97Å; R825-D847 PolarHBondContact NH2-OD1 2.89Å; R825-D847 IonicContact NH2-OD2 3.1Å; R825-G897 PolarHBondContact NH2-O 2.88Å; R825-E924 WeakPolarHBondContact CD-OE1 3.48Å; R825-E924 IonicContact CZ-OE1 3.87Å; R825-E924 IonicContact NE-OE1 3.81Å; R825-E924 IonicContact NH1-OE1 3.77Å; R825-E924 PolarHBondContact NH1-OE1 3.31Å; R825-W958 HydrophobicContact CB-CH2 3.79Å; R825-W958 HydrophobicContact CB-CZ2 4.44Å |
| 826 | S | 93.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | -178.2 | -51.3 | 0 | 0 | 0 | 0 | 113.4 | E824 Q830 F917 E924 | E824-S826 PolarHBondContact O-N 3.32Å; S826-Q830 PolarHBondContact O-N 2.97Å; S826-F917 WeakPolarHBondContact CB-O 3.45Å; S826-F917 WeakPolarHBondContact OG-CB 3.45Å; S826-E924 WeakPolarHBondContact OG-CB 3.42Å; S826-E924 WeakPolarHBondContact OG-CG 3.45Å |
| 827 | A | 94.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.5 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E824 R825 Q830 A831 T914 | E824-A827 HydrophobicContact CB-CB 3.98Å; E824-A827 PolarHBondContact O-N 3.33Å; R825-A827 PolarHBondContact O-N 2.78Å; A827-Q830 PolarHBondContact O-N 3.38Å; A827-A831 WeakPolarHBondContact O-CB 3.42Å; A827-A831 PolarHBondContact O-N 3.32Å; A827-T914 HydrophobicContact CB-CG2 4.17Å |
| 828 | G | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T793 Y795 E824 R825 G832 | T793-G828 WeakPolarHBondContact CB-O 3.45Å; T793-G828 VanDerWaalsContact CG2-O 3.23Å; T793-G828 WeakPolarHBondContact CG2-O 3.23Å; T793-G828 VanDerWaalsContact OG1-C 3.27Å; T793-G828 WeakPolarHBondContact OG1-CA 3.49Å; T793-G828 PolarHBondContact OG1-O 2.86Å; Y795-G828 WeakPolarHBondContact OH-CA 3.27Å; Y795-G828 PolarHBondContact OH-N 2.72Å; E824-G828 PolarHBondContact O-N 3.44Å; R825-G828 PolarHBondContact O-N 2.71Å; G828-G832 PolarHBondContact O-N 3.31Å |
| 829 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 171.7 | -72 | 169.8 | 0 | 0 | 0 | 111.1 | I759 P761 R825 A831 G832 I833 L845 M912 | I759-L829 HydrophobicContact CB-CD2 4.18Å; I759-L829 HydrophobicContact CG2-CD2 4.04Å; I759-L829 WeakPolarHBondContact O-CD2 3.5Å; P761-L829 HydrophobicContact CG-CD2 4.37Å; P761-L829 HydrophobicContact CG-CG 4.23Å; R825-L829 HydrophobicContact CG-CD1 4.03Å; R825-L829 WeakPolarHBondContact O-CB 3.11Å; R825-L829 WeakPolarHBondContact O-CG 3.43Å; R825-L829 PolarHBondContact O-N 3.38Å; L829-A831 PolarHBondContact O-N 3.41Å; L829-G832 PolarHBondContact O-N 2.72Å; L829-I833 WeakPolarHBondContact O-CG1 3.45Å; L829-I833 PolarHBondContact O-N 3.04Å; L829-L845 HydrophobicContact CB-CD2 4.44Å; L829-L845 HydrophobicContact CD2-CB 4.3Å; L829-L845 HydrophobicContact CD2-CD2 4.06Å; L829-M912 HydrophobicContact CB-CG 4.23Å; L829-M912 HydrophobicContact CD1-CE 3.95Å |
| 830 | Q | 97.3 | Very high | 94.7 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 178.1 | -168.3 | 59.9 | 50.5 | 0 | 0 | 112.5 | S826 A827 G832 I833 D834 M912 T914 | S826-Q830 PolarHBondContact O-N 2.97Å; A827-Q830 PolarHBondContact O-N 3.38Å; Q830-G832 PolarHBondContact O-N 2.76Å; Q830-G832 VanDerWaalsContact O-N 3.11Å; Q830-I833 WeakPolarHBondContact O-CA 3.36Å; Q830-I833 WeakPolarHBondContact O-CB 3.36Å; Q830-I833 PolarHBondContact O-N 2.71Å; Q830-D834 PolarHBondContact NE2-OD1 2.73Å; Q830-D834 PolarHBondContact O-N 2.88Å; Q830-M912 HydrophobicContact CB-CB 4.2Å; Q830-M912 HydrophobicContact CB-CG 4.38Å; Q830-T914 HydrophobicContact CB-CG2 3.7Å; Q830-T914 HydrophobicContact CG-CG2 4.17Å |
| 831 | A | 97.6 | Very high | 95 | Very high | 20 Ų | 20 | 40 Ų | 40 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -20.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L819 A827 L829 | L819-A831 HydrophobicContact CD1-CB 3.97Å; L819-A831 HydrophobicContact CD2-CB 3.88Å; A827-A831 WeakPolarHBondContact O-CB 3.42Å; A827-A831 PolarHBondContact O-N 3.32Å; L829-A831 PolarHBondContact O-N 3.41Å |
| 832 | G | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.1 | -37.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | I791 G828 L829 Q830 D834 L835 | I791-G832 WeakPolarHBondContact CD1-O 3.5Å; G828-G832 PolarHBondContact O-N 3.31Å; L829-G832 PolarHBondContact O-N 2.72Å; Q830-G832 PolarHBondContact O-N 2.76Å; Q830-G832 VanDerWaalsContact O-N 3.11Å; G832-D834 VanDerWaalsContact C-N 3.28Å; G832-D834 PolarHBondContact O-N 2.94Å; G832-L835 PolarHBondContact O-N 3.05Å |
| 833 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.8 | -65.7 | 158.9 | 0 | 0 | 0 | 110.3 | I759 L829 Q830 L835 I836 V843 L845 K903 L906 M912 | I759-I833 HydrophobicContact CD1-CB 4.46Å; I759-I833 HydrophobicContact CD1-CG1 3.67Å; L829-I833 WeakPolarHBondContact O-CG1 3.45Å; L829-I833 PolarHBondContact O-N 3.04Å; Q830-I833 WeakPolarHBondContact O-CA 3.36Å; Q830-I833 WeakPolarHBondContact O-CB 3.36Å; Q830-I833 PolarHBondContact O-N 2.71Å; I833-L835 PolarHBondContact O-N 3.07Å; I833-L835 VanDerWaalsContact O-N 3.17Å; I833-I836 WeakPolarHBondContact O-CB 3.27Å; I833-I836 PolarHBondContact O-N 2.8Å; I833-V843 HydrophobicContact CG1-CG1 4.11Å; I833-L845 HydrophobicContact CD1-CD2 4.01Å; I833-L845 HydrophobicContact CG1-CD2 4.37Å; I833-K903 HydrophobicContact CG2-CD 3.88Å; I833-K903 WeakPolarHBondContact O-CE 3.31Å; I833-L906 HydrophobicContact CD1-CD2 3.68Å; I833-L906 HydrophobicContact CG1-CD2 4.14Å; I833-L906 HydrophobicContact CG2-CD2 4.27Å; I833-M912 HydrophobicContact CD1-CG 3.77Å; I833-M912 HydrophobicContact CD1-SD 4.48Å |
| 834 | D | 97.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 34.7 Ų | 34.7 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.5 | -178.4 | -63.5 | -20 | 0 | 0 | 0 | 113.7 | Q830 G832 I836 | Q830-D834 PolarHBondContact NE2-OD1 2.73Å; Q830-D834 PolarHBondContact O-N 2.88Å; G832-D834 VanDerWaalsContact C-N 3.28Å; G832-D834 PolarHBondContact O-N 2.94Å; D834-I836 VanDerWaalsContact C-N 3.31Å |
| 835 | L | 97.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 32.8 Ų | 32.8 | 29% | 0.293 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.1 | 174 | -58.3 | 176.3 | 0 | 0 | 0 | 113.5 | I791 Q815 V817 G832 I833 | I791-L835 HydrophobicContact CG2-CD1 3.94Å; Q815-L835 HydrophobicContact CB-CD1 4.33Å; V817-L835 HydrophobicContact CB-CD1 4.14Å; V817-L835 HydrophobicContact CG1-CD1 3.91Å; G832-L835 PolarHBondContact O-N 3.05Å; I833-L835 PolarHBondContact O-N 3.07Å; I833-L835 VanDerWaalsContact O-N 3.17Å |
| 836 | I | 97.8 | Very high | 97 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | trans | -96.8 | 122.5 | -176.7 | -57.6 | 172.3 | 0 | 0 | 0 | 108.7 | H757 I759 I791 I833 D834 S841 V843 K903 | H757-I836 HydrophobicContact CB-CD1 3.52Å; H757-I836 HydrophobicContact CB-CG1 4.37Å; I759-I836 HydrophobicContact CD1-CD1 3.98Å; I791-I836 HydrophobicContact CD1-CD1 3.89Å; I791-I836 HydrophobicContact CD1-CG1 3.8Å; I833-I836 WeakPolarHBondContact O-CB 3.27Å; I833-I836 PolarHBondContact O-N 2.8Å; D834-I836 VanDerWaalsContact C-N 3.31Å; I836-S841 WeakPolarHBondContact CG2-OG 3.18Å; I836-V843 HydrophobicContact CD1-CG2 3.86Å; I836-K903 HydrophobicContact CB-CD 4.14Å; I836-K903 HydrophobicContact CG2-CB 4.38Å; I836-K903 HydrophobicContact CG2-CD 4.08Å; I836-K903 HydrophobicContact CG2-CG 4.02Å; I836-K903 WeakPolarHBondContact O-CE 3.48Å | ||
| 837 | H | 96.2 | Very high | 96.9 | Very high | 167 Ų | 167 | 33.7 Ų | 33.7 | 77% | 0.773 | 18% | 0.175 | S | C | * | . | trans | -117.6 | 7.3 | -177.6 | -52.5 | -25.7 | 0 | 0 | 0 | 113.2 | ||||
| 838 | D | 97.5 | Very high | 96.8 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 39% | 0.39 | 17% | 0.171 | S | C | . | . | trans | -105.3 | 101.1 | 173 | -179.7 | 10.5 | 0 | 0 | 0 | 108.6 | H840 S841 | D838-H840 PolarHBondContact O-N 3.36Å; D838-H840 PolarHBondContact OD1-N 2.82Å; D838-S841 VanDerWaalsContact O-CB 3.3Å; D838-S841 WeakPolarHBondContact O-CB 2.96Å; D838-S841 PolarHBondContact O-N 2.74Å; D838-S841 PolarHBondContact O-OG 3.47Å | ||
| 839 | D | 97 | Very high | 96.7 | Very high | 87 Ų | 87 | 33.8 Ų | 33.8 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.1 | -178.8 | -60.4 | -19.8 | 0 | 0 | 0 | 112 | S841 S904 | D839-S841 VanDerWaalsContact C-N 3.33Å; D839-S904 WeakPolarHBondContact O-CB 3.33Å; D839-S904 PolarHBondContact O-N 3.17Å; D839-S904 PolarHBondContact O-OG 3.17Å |
| 840 | H | 97.4 | Very high | 96.6 | Very high | 108 Ų | 108 | 34 Ų | 34 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 13 | 179.5 | -56.5 | -54.1 | 0 | 0 | 0 | 113.4 | D838 E866 Y902 | D838-H840 PolarHBondContact O-N 3.36Å; D838-H840 PolarHBondContact OD1-N 2.82Å; H840-E866 IonicContact CE1-OE1 3.53Å; H840-E866 IonicContact CE1-OE2 3.86Å; H840-E866 IonicContact CG-OE1 2.84Å; H840-E866 VanDerWaalsContact ND1-CD 3.32Å; H840-E866 IonicContact ND1-OE1 3.22Å; H840-E866 PolarHBondContact ND1-OE1 3.24Å; H840-E866 IonicContact ND1-OE2 2.73Å; H840-E866 PolarHBondContact ND1-OE2 2.93Å; H840-Y902 WeakPolarHBondContact O-CE1 3.36Å |
| 841 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -89.5 | 161 | 169.5 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | T755 I836 D838 D839 Y902 K903 | T755-S841 WeakPolarHBondContact O-CB 3.42Å; I836-S841 WeakPolarHBondContact CG2-OG 3.18Å; D838-S841 VanDerWaalsContact O-CB 3.3Å; D838-S841 WeakPolarHBondContact O-CB 2.96Å; D838-S841 PolarHBondContact O-N 2.74Å; D838-S841 PolarHBondContact O-OG 3.47Å; D839-S841 VanDerWaalsContact C-N 3.33Å; S841-Y902 WeakPolarHBondContact O-CA 3.29Å; S841-K903 PolarHBondContact O-N 2.98Å |
| 842 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.3 | 177.6 | -60.5 | 164.5 | 0 | 0 | 0 | 109 | A754 T755 V756 H757 I860 R861 C864 I901 Y902 | A754-I842 HydrophobicContact CB-CD1 3.99Å; A754-I842 HydrophobicContact CB-CG1 4.31Å; T755-I842 PolarHBondContact O-N 2.91Å; V756-I842 CarbonylContact C-O 3.45Å; V756-I842 WeakPolarHBondContact CA-O 3.16Å; V756-I842 HydrophobicContact CG2-CB 4.42Å; V756-I842 HydrophobicContact CG2-CD1 4.45Å; H757-I842 PolarHBondContact N-O 3.17Å; I842-I860 HydrophobicContact CD1-CG2 4.48Å; I842-I860 HydrophobicContact CG2-CG2 3.68Å; I842-R861 HydrophobicContact CD1-CG 4.17Å; I842-C864 HydrophobicContact CD1-CB 3.87Å; I842-C864 HydrophobicContact CG1-CB 4.19Å; I842-C864 HydrophobicContact CG2-CB 4.29Å; I842-I901 CarbonylContact C-O 3.34Å; I842-I901 WeakPolarHBondContact CA-O 3.2Å; I842-Y902 HydrophobicContact CD1-CE1 4.47Å; I842-Y902 HydrophobicContact CD1-CE2 4.08Å; I842-Y902 HydrophobicContact CG1-CD1 4.11Å; I842-Y902 HydrophobicContact CG1-CD2 4.09Å; I842-Y902 HydrophobicContact CG1-CE1 3.84Å; I842-Y902 HydrophobicContact CG1-CE2 3.79Å; I842-Y902 HydrophobicContact CG1-CG 4.24Å |
| 843 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 129.6 | 165.3 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | I759 I833 I836 L845 G900 I901 K903 L906 | I759-V843 HydrophobicContact CD1-CG1 3.77Å; I759-V843 HydrophobicContact CG1-CG1 4.49Å; I833-V843 HydrophobicContact CG1-CG1 4.11Å; I836-V843 HydrophobicContact CD1-CG2 3.86Å; V843-L845 HydrophobicContact CG1-CD2 3.49Å; V843-L845 VanDerWaalsContact CG1-CD2 3.49Å; V843-L845 HydrophobicContact CG1-CG 4.16Å; V843-G900 CarbonylContact O-C 3.58Å; V843-G900 VanDerWaalsContact O-CA 3.28Å; V843-G900 WeakPolarHBondContact O-CA 3.38Å; V843-I901 HydrophobicContact CB-CG2 4.3Å; V843-I901 PolarHBondContact N-O 2.88Å; V843-I901 PolarHBondContact O-N 3.46Å; V843-K903 HydrophobicContact CG2-CB 4.33Å; V843-K903 HydrophobicContact CG2-CD 4.01Å; V843-L906 HydrophobicContact CB-CD2 4.21Å; V843-L906 HydrophobicContact CG1-CD2 4Å; V843-L906 HydrophobicContact CG2-CD2 4.18Å |
| 844 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 104.7 | 166.6 | -167 | -103 | 0 | 0 | 0 | 109.9 | V756 H757 F758 I759 C846 F852 I860 P873 L899 | V756-F844 HydrophobicContact CG1-CB 4.11Å; H757-F844 PolarHBondContact O-N 2.94Å; F758-F844 WeakPolarHBondContact CA-O 3.48Å; F758-F844 HydrophobicContact CD1-CB 4.47Å; F758-F844 AromaticContact CD1-CD1 3.59Å; F758-F844 HydrophobicContact CD1-CD1 3.59Å; F758-F844 HydrophobicContact CD1-CE1 4.29Å; F758-F844 HydrophobicContact CD1-CG 4.38Å; F758-F844 AromaticContact CE1-CD1 3.69Å; F758-F844 HydrophobicContact CE1-CD1 3.69Å; F758-F844 HydrophobicContact CE1-CE1 4.15Å; F758-F844 HydrophobicContact CE1-CG 4.36Å; F758-F844 HydrophobicContact CG-CD1 4.48Å; I759-F844 PolarHBondContact N-O 3.15Å; F844-C846 HydrophobicContact CD1-CB 3.84Å; F844-C846 HydrophobicContact CE1-CB 3.67Å; F844-F852 HydrophobicContact CE1-CE1 4.04Å; F844-I860 HydrophobicContact CB-CD1 4.22Å; F844-I860 HydrophobicContact CD1-CD1 4.08Å; F844-I860 HydrophobicContact CD2-CD1 3.42Å; F844-I860 VanDerWaalsContact CD2-CD1 3.42Å; F844-I860 HydrophobicContact CD2-CG1 3.85Å; F844-I860 HydrophobicContact CD2-CG2 4.39Å; F844-I860 HydrophobicContact CE1-CD1 4.31Å; F844-I860 HydrophobicContact CE2-CD1 3.71Å; F844-I860 HydrophobicContact CE2-CG1 3.93Å; F844-I860 HydrophobicContact CG-CD1 3.63Å; F844-I860 HydrophobicContact CZ-CD1 4.15Å; F844-P873 HydrophobicContact CE2-CG 4Å; F844-P873 HydrophobicContact CZ-CG 3.92Å; F844-L899 CarbonylContact C-O 3.55Å; F844-L899 VanDerWaalsContact CA-O 3.31Å; F844-L899 WeakPolarHBondContact CA-O 3.47Å |
| 845 | L | 97.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127 | 172.7 | -48.4 | -179.1 | 0 | 0 | 0 | 108 | L829 I833 V843 L898 L899 M912 L928 | L829-L845 HydrophobicContact CB-CD2 4.44Å; L829-L845 HydrophobicContact CD2-CB 4.3Å; L829-L845 HydrophobicContact CD2-CD2 4.06Å; I833-L845 HydrophobicContact CD1-CD2 4.01Å; I833-L845 HydrophobicContact CG1-CD2 4.37Å; V843-L845 HydrophobicContact CG1-CD2 3.49Å; V843-L845 VanDerWaalsContact CG1-CD2 3.49Å; V843-L845 HydrophobicContact CG1-CG 4.16Å; L845-L898 WeakPolarHBondContact O-CA 3.47Å; L845-L899 HydrophobicContact CB-CB 4.45Å; L845-L899 HydrophobicContact CD1-CB 4.35Å; L845-L899 HydrophobicContact CD1-CD2 4.17Å; L845-L899 PolarHBondContact N-O 2.98Å; L845-L899 PolarHBondContact O-N 2.83Å; L845-L899 VanDerWaalsContact O-N 3.1Å; L845-M912 HydrophobicContact CD1-CE 4.43Å; L845-M912 HydrophobicContact CD1-SD 3.75Å; L845-L928 HydrophobicContact CD1-CD2 3.88Å |
| 846 | C | 93.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | trans | -147.9 | 157.2 | 178.3 | 51 | 0 | 0 | 0 | 0 | 114.5 | I759 V760 F844 F852 L898 | I759-C846 PolarHBondContact O-N 3.31Å; V760-C846 VanDerWaalsContact CG2-SG 3.51Å; F844-C846 HydrophobicContact CD1-CB 3.84Å; F844-C846 HydrophobicContact CE1-CB 3.67Å; C846-F852 HydrophobicContact CB-CZ 4.25Å; C846-L898 HydrophobicContact CB-CD2 3.98Å | ||
| 847 | D | 90.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | trans | -83.4 | 160.3 | 172.5 | -66 | -40.6 | 0 | 0 | 0 | 111.8 | R825 H849 I850 L898 | R825-D847 IonicContact CZ-OD1 3.57Å; R825-D847 VanDerWaalsContact CZ-OD1 3.22Å; R825-D847 IonicContact NE-OD1 2.87Å; R825-D847 PolarHBondContact NE-OD1 2.9Å; R825-D847 IonicContact NH2-OD1 3.97Å; R825-D847 PolarHBondContact NH2-OD1 2.89Å; R825-D847 IonicContact NH2-OD2 3.1Å; D847-H849 VanDerWaalsContact C-N 3.31Å; D847-H849 PolarHBondContact O-N 3.23Å; D847-I850 HydrophobicContact CB-CD1 4.45Å; D847-I850 HydrophobicContact CB-CG1 4.21Å; D847-I850 VanDerWaalsContact O-CG1 3.3Å; D847-I850 WeakPolarHBondContact O-CG1 3.35Å; D847-L898 HydrophobicContact CB-CD2 4.47Å | ||
| 848 | L | 93.2 | Very high | 95.7 | Very high | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.073 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.7 | -177.3 | 179.5 | 59.2 | 0 | 0 | 0 | 114 | V760 V762 Q765 W768 V769 L772 I850 | V760-L848 HydrophobicContact CG1-CB 3.76Å; V760-L848 HydrophobicContact CG1-CD1 3.95Å; V760-L848 HydrophobicContact CG1-CG 4.42Å; V762-L848 HydrophobicContact CG1-CD1 4.12Å; V762-L848 HydrophobicContact CG1-CD2 4.15Å; Q765-L848 HydrophobicContact CB-CD2 3.45Å; Q765-L848 VanDerWaalsContact CB-CD2 3.45Å; Q765-L848 HydrophobicContact CG-CD2 4.06Å; W768-L848 HydrophobicContact CB-CD1 4.24Å; W768-L848 HydrophobicContact CB-CD2 3.88Å; W768-L848 HydrophobicContact CB-CG 3.74Å; V769-L848 HydrophobicContact CB-CD1 4.46Å; V769-L848 HydrophobicContact CG2-CD1 3.83Å; V769-L848 HydrophobicContact CG2-CD2 4.02Å; L772-L848 HydrophobicContact CB-CD1 4.16Å; L772-L848 HydrophobicContact CD2-CD1 3.73Å; L848-I850 PolarHBondContact O-N 2.98Å |
| 849 | H | 93.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 35.3 | -166 | -49.7 | 133.3 | 0 | 0 | 0 | 113 | W768 D847 H950 H952 | W768-H849 AromaticContact CD1-CD2 3.32Å; W768-H849 AromaticContact CD1-NE2 3.28Å; W768-H849 VanDerWaalsContact CD1-NE2 3.28Å; W768-H849 AromaticContact CD2-CD2 3.54Å; W768-H849 AromaticContact CE2-CD2 3.67Å; W768-H849 AromaticContact CG-CD2 3.33Å; W768-H849 AromaticContact CG-NE2 3.73Å; W768-H849 AromaticContact NE1-CD2 3.49Å; W768-H849 PolarHBondContact NE1-CD2 2.65Å; W768-H849 AromaticContact NE1-NE2 3.62Å; D847-H849 VanDerWaalsContact C-N 3.31Å; D847-H849 PolarHBondContact O-N 3.23Å; H849-H950 PolarHBondContact O-N 2.61Å; H849-H952 AromaticContact CE1-CD2 3.82Å; H849-H952 AromaticContact CE1-CE1 3.83Å; H849-H952 AromaticContact CE1-CG 3.88Å; H849-H952 AromaticContact CE1-ND1 3.87Å; H849-H952 AromaticContact CE1-NE2 3.76Å; H849-H952 AromaticContact CG-CD2 3.45Å; H849-H952 VanDerWaalsContact CG-CD2 3.45Å; H849-H952 AromaticContact CG-NE2 3.78Å; H849-H952 AromaticContact ND1-CD2 2.99Å; H849-H952 PolarHBondContact ND1-CD2 3.09Å; H849-H952 AromaticContact ND1-CE1 3.43Å; H849-H952 PolarHBondContact ND1-CE1 3.43Å; H849-H952 AromaticContact ND1-CG 3.5Å; H849-H952 AromaticContact ND1-ND1 3.73Å; H849-H952 AromaticContact ND1-NE2 2.92Å; H849-H952 PolarHBondContact ND1-NE2 3.19Å |
| 850 | I | 94.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129 | -170.3 | -56.1 | -62.4 | 0 | 0 | 0 | 110.7 | D847 L848 F852 V875 L898 F947 F948 H949 | D847-I850 HydrophobicContact CB-CD1 4.45Å; D847-I850 HydrophobicContact CB-CG1 4.21Å; D847-I850 VanDerWaalsContact O-CG1 3.3Å; D847-I850 WeakPolarHBondContact O-CG1 3.35Å; L848-I850 PolarHBondContact O-N 2.98Å; I850-F852 HydrophobicContact CB-CE1 4.48Å; I850-F852 HydrophobicContact CB-CE2 3.9Å; I850-F852 HydrophobicContact CB-CZ 3.89Å; I850-F852 HydrophobicContact CG2-CD1 4Å; I850-F852 HydrophobicContact CG2-CD2 4.16Å; I850-F852 HydrophobicContact CG2-CE1 3.68Å; I850-F852 HydrophobicContact CG2-CE2 3.84Å; I850-F852 HydrophobicContact CG2-CG 4.24Å; I850-F852 HydrophobicContact CG2-CZ 3.6Å; I850-V875 HydrophobicContact CD1-CG2 4.45Å; I850-L898 HydrophobicContact CD1-CD1 4.13Å; I850-L898 HydrophobicContact CD1-CD2 4.25Å; I850-L898 HydrophobicContact CG1-CD2 4.31Å; I850-F947 HydrophobicContact CG2-CD2 4.02Å; I850-F947 HydrophobicContact CG2-CE2 3.39Å; I850-F947 HydrophobicContact CG2-CZ 4.05Å; I850-F948 CarbonylContact C-O 3.53Å; I850-F948 WeakPolarHBondContact CA-O 3.42Å; I850-H949 HydrophobicContact CD1-CB 3.71Å |
| 851 | H | 94.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 10.5 Ų | 10.5 | 23% | 0.227 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.8 | 163.2 | -178.5 | 65 | 0 | 0 | 0 | 109.6 | D775 F947 F948 | D775-H851 IonicContact OD2-CE1 3.35Å; D775-H851 IonicContact OD2-CG 2.72Å; D775-H851 IonicContact OD2-ND1 3.17Å; D775-H851 PolarHBondContact OD2-ND1 3.17Å; H851-F947 WeakPolarHBondContact O-CD2 3.33Å; H851-F948 HydrophobicContact CB-CB 4.24Å; H851-F948 HydrophobicContact CB-CD2 4.44Å; H851-F948 AromaticContact CD2-CD2 3.79Å; H851-F948 PolarHBondContact N-O 3.45Å; H851-F948 PolarHBondContact O-N 3.31Å |
| 852 | F | 94.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 126.9 | -173.2 | -72.2 | -76.5 | 0 | 0 | 0 | 112 | F758 L772 M776 V779 F844 C846 I850 I856 F947 | F758-F852 HydrophobicContact CD1-CE1 4.15Å; F758-F852 HydrophobicContact CD1-CZ 4.15Å; F758-F852 HydrophobicContact CE1-CD1 4.21Å; F758-F852 AromaticContact CE1-CE1 3.84Å; F758-F852 HydrophobicContact CE1-CE1 3.84Å; F758-F852 HydrophobicContact CE1-CZ 4.28Å; L772-F852 HydrophobicContact CD1-CD2 4.37Å; L772-F852 HydrophobicContact CD1-CE2 3.75Å; M776-F852 HydrophobicContact SD-CD2 3.89Å; M776-F852 HydrophobicContact SD-CE2 4.26Å; M776-F852 HydrophobicContact SD-CG 4.3Å; V779-F852 HydrophobicContact CG2-CB 4.19Å; F844-F852 HydrophobicContact CE1-CE1 4.04Å; C846-F852 HydrophobicContact CB-CZ 4.25Å; I850-F852 HydrophobicContact CB-CE1 4.48Å; I850-F852 HydrophobicContact CB-CE2 3.9Å; I850-F852 HydrophobicContact CB-CZ 3.89Å; I850-F852 HydrophobicContact CG2-CD1 4Å; I850-F852 HydrophobicContact CG2-CD2 4.16Å; I850-F852 HydrophobicContact CG2-CE1 3.68Å; I850-F852 HydrophobicContact CG2-CE2 3.84Å; I850-F852 HydrophobicContact CG2-CG 4.24Å; I850-F852 HydrophobicContact CG2-CZ 3.6Å; F852-I856 HydrophobicContact CB-CG2 4.23Å; F852-I856 HydrophobicContact CD1-CB 4.46Å; F852-I856 HydrophobicContact CD1-CG1 3.98Å; F852-I856 HydrophobicContact CD1-CG2 4.27Å; F852-F947 HydrophobicContact CD1-CD2 4.35Å; F852-F947 AromaticContact CD1-CE2 3.69Å; F852-F947 HydrophobicContact CD1-CE2 3.69Å; F852-F947 AromaticContact CE1-CE2 3.78Å; F852-F947 HydrophobicContact CE1-CE2 3.78Å; F852-F947 HydrophobicContact CE1-CZ 4.45Å |
| 853 | P | 94.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 11.1 Ų | 11.1 | 7% | 0.071 | 6% | 0.061 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 143.8 | 170 | 29.9 | -34.4 | 0 | 0 | 0 | 109.8 | S855 I856 N946 F947 | P853-S855 PolarHBondContact O-N 2.98Å; P853-I856 HydrophobicContact CG-CB 4.23Å; P853-I856 VanDerWaalsContact O-CB 3.23Å; P853-I856 WeakPolarHBondContact O-CB 3.42Å; P853-I856 VanDerWaalsContact O-CG2 3.26Å; P853-I856 WeakPolarHBondContact O-CG2 3.43Å; P853-I856 PolarHBondContact O-N 3.46Å; P853-N946 HydrophobicContact CB-CB 4.13Å; P853-F947 HydrophobicContact CG-CB 4.23Å; P853-F947 HydrophobicContact CG-CD2 4.48Å |
| 854 | S | 94.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 11.1 Ų | 11.1 | 18% | 0.182 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.5 | -179.4 | 31.1 | 0 | 0 | 0 | 0 | 114.3 | E782 T783 I856 | E782-S854 WeakPolarHBondContact OE2-CB 3.17Å; E782-S854 PolarHBondContact OE2-OG 3.17Å; T783-S854 WeakPolarHBondContact CG2-O 3.5Å; S854-I856 VanDerWaalsContact C-N 3.31Å; S854-I856 PolarHBondContact O-N 3.1Å |
| 855 | S | 94.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 11.2 Ų | 11.2 | 12% | 0.119 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.5 | 170.7 | 61.9 | 0 | 0 | 0 | 0 | 115.3 | P853 V857 D858 T859 | P853-S855 PolarHBondContact O-N 2.98Å; S855-V857 PolarHBondContact O-N 2.87Å; S855-D858 PolarHBondContact O-N 2.97Å; S855-T859 WeakPolarHBondContact O-CB 3.47Å; S855-T859 PolarHBondContact O-N 3.33Å; S855-T859 PolarHBondContact O-OG1 2.83Å |
| 856 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | -169.9 | -170.5 | 67.2 | 0 | 0 | 0 | 113.1 | F758 V779 F852 P853 S854 T859 I860 L944 F947 | F758-I856 HydrophobicContact CE1-CG1 4.4Å; F758-I856 HydrophobicContact CE1-CG2 4.49Å; F758-I856 HydrophobicContact CZ-CG1 4.43Å; F758-I856 HydrophobicContact CZ-CG2 4.11Å; V779-I856 HydrophobicContact CG1-CG2 4.4Å; F852-I856 HydrophobicContact CB-CG2 4.23Å; F852-I856 HydrophobicContact CD1-CB 4.46Å; F852-I856 HydrophobicContact CD1-CG1 3.98Å; F852-I856 HydrophobicContact CD1-CG2 4.27Å; P853-I856 HydrophobicContact CG-CB 4.23Å; P853-I856 VanDerWaalsContact O-CB 3.23Å; P853-I856 WeakPolarHBondContact O-CB 3.42Å; P853-I856 VanDerWaalsContact O-CG2 3.26Å; P853-I856 WeakPolarHBondContact O-CG2 3.43Å; P853-I856 PolarHBondContact O-N 3.46Å; S854-I856 VanDerWaalsContact C-N 3.31Å; S854-I856 PolarHBondContact O-N 3.1Å; I856-T859 WeakPolarHBondContact O-CB 3.38Å; I856-T859 PolarHBondContact O-N 2.99Å; I856-T859 VanDerWaalsContact O-N 3.17Å; I856-I860 HydrophobicContact CD1-CD1 4.2Å; I856-I860 HydrophobicContact CD1-CG1 4.3Å; I856-I860 HydrophobicContact CG1-CD1 3.73Å; I856-I860 HydrophobicContact CG1-CG1 4.26Å; I856-I860 WeakPolarHBondContact O-CG1 3.26Å; I856-I860 PolarHBondContact O-N 3.06Å; I856-L944 HydrophobicContact CD1-CD1 3.85Å; I856-F947 HydrophobicContact CD1-CE2 4.27Å |
| 857 | V | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | -176.4 | -173 | 0 | 0 | 0 | 0 | 110.7 | V756 F758 V779 F788 S855 T859 I860 R861 | V756-V857 HydrophobicContact CB-CG1 4.19Å; V756-V857 HydrophobicContact CG2-CG1 3.85Å; F758-V857 HydrophobicContact CE2-CG2 4.13Å; F758-V857 HydrophobicContact CZ-CG2 4.17Å; V779-V857 HydrophobicContact CG1-CG2 4.08Å; F788-V857 HydrophobicContact CB-CG1 4.22Å; F788-V857 HydrophobicContact CB-CG2 4.31Å; F788-V857 HydrophobicContact CD1-CG2 4.5Å; F788-V857 HydrophobicContact CG-CG2 4.45Å; S855-V857 PolarHBondContact O-N 2.87Å; V857-T859 VanDerWaalsContact C-N 3.26Å; V857-T859 PolarHBondContact O-N 2.91Å; V857-I860 PolarHBondContact O-N 3.31Å; V857-R861 WeakPolarHBondContact O-CG 3.03Å; V857-R861 PolarHBondContact O-N 2.86Å; V857-R861 VanDerWaalsContact O-N 3.08Å |
| 858 | D | 95.8 | Very high | 96 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -33.1 | 175.1 | -171.4 | 71.5 | 0 | 0 | 0 | 111.6 | R712 S855 K862 | R712-D858 IonicContact CZ-OD1 2.77Å; R712-D858 VanDerWaalsContact CZ-OD1 3.24Å; R712-D858 IonicContact CZ-OD2 3.4Å; R712-D858 IonicContact NH1-OD1 2.87Å; R712-D858 PolarHBondContact NH1-OD1 3.2Å; R712-D858 IonicContact NH1-OD2 3.78Å; R712-D858 PolarHBondContact NH1-OD2 3.25Å; R712-D858 IonicContact NH2-OD1 3.55Å; R712-D858 PolarHBondContact NH2-OD1 2.91Å; R712-D858 IonicContact NH2-OD2 2.7Å; S855-D858 PolarHBondContact O-N 2.97Å; D858-K862 WeakPolarHBondContact O-CD 3.11Å; D858-K862 VanDerWaalsContact O-CE 3.25Å; D858-K862 WeakPolarHBondContact O-CE 3.26Å; D858-K862 VanDerWaalsContact O-CG 3.24Å; D858-K862 WeakPolarHBondContact O-CG 3.24Å; D858-K862 PolarHBondContact O-N 3.24Å; D858-K862 WeakPolarHBondContact OD2-CE 3.25Å; D858-K862 IonicContact OD2-NZ 3.38Å; D858-K862 PolarHBondContact OD2-NZ 3.13Å |
| 859 | T | 96.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 17.1 Ų | 17.1 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.6 | -48.5 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | S855 I856 V857 R861 K862 H863 F871 L944 | S855-T859 WeakPolarHBondContact O-CB 3.47Å; S855-T859 PolarHBondContact O-N 3.33Å; S855-T859 PolarHBondContact O-OG1 2.83Å; I856-T859 WeakPolarHBondContact O-CB 3.38Å; I856-T859 PolarHBondContact O-N 2.99Å; I856-T859 VanDerWaalsContact O-N 3.17Å; V857-T859 VanDerWaalsContact C-N 3.26Å; V857-T859 PolarHBondContact O-N 2.91Å; T859-R861 VanDerWaalsContact C-N 3.33Å; T859-R861 PolarHBondContact O-N 2.77Å; T859-K862 PolarHBondContact O-N 3.01Å; T859-H863 PolarHBondContact O-CD2 2.76Å; T859-H863 PolarHBondContact O-N 3.36Å; T859-H863 VanDerWaalsContact O-N 3.17Å; T859-F871 HydrophobicContact CG2-CE1 4.05Å; T859-F871 HydrophobicContact CG2-CZ 4Å; T859-L944 HydrophobicContact CG2-CD1 4.33Å; T859-L944 HydrophobicContact CG2-CD2 3.97Å |
| 860 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 176.6 | -70.1 | 164.4 | 0 | 0 | 0 | 110.3 | V756 F758 I842 F844 I856 V857 K862 H863 C864 F871 | V756-I860 HydrophobicContact CG1-CB 4.49Å; V756-I860 HydrophobicContact CG1-CD1 4.02Å; V756-I860 HydrophobicContact CG1-CG2 3.93Å; V756-I860 HydrophobicContact CG2-CG2 4.19Å; F758-I860 HydrophobicContact CE1-CD1 4.03Å; F758-I860 HydrophobicContact CZ-CD1 3.79Å; I842-I860 HydrophobicContact CD1-CG2 4.48Å; I842-I860 HydrophobicContact CG2-CG2 3.68Å; F844-I860 HydrophobicContact CB-CD1 4.22Å; F844-I860 HydrophobicContact CD1-CD1 4.08Å; F844-I860 HydrophobicContact CD2-CD1 3.42Å; F844-I860 VanDerWaalsContact CD2-CD1 3.42Å; F844-I860 HydrophobicContact CD2-CG1 3.85Å; F844-I860 HydrophobicContact CD2-CG2 4.39Å; F844-I860 HydrophobicContact CE1-CD1 4.31Å; F844-I860 HydrophobicContact CE2-CD1 3.71Å; F844-I860 HydrophobicContact CE2-CG1 3.93Å; F844-I860 HydrophobicContact CG-CD1 3.63Å; F844-I860 HydrophobicContact CZ-CD1 4.15Å; I856-I860 HydrophobicContact CD1-CD1 4.2Å; I856-I860 HydrophobicContact CD1-CG1 4.3Å; I856-I860 HydrophobicContact CG1-CD1 3.73Å; I856-I860 HydrophobicContact CG1-CG1 4.26Å; I856-I860 WeakPolarHBondContact O-CG1 3.26Å; I856-I860 PolarHBondContact O-N 3.06Å; V857-I860 PolarHBondContact O-N 3.31Å; I860-K862 VanDerWaalsContact C-N 3.28Å; I860-K862 PolarHBondContact O-N 3.01Å; I860-H863 PolarHBondContact O-N 3.03Å; I860-C864 PolarHBondContact O-N 2.64Å; I860-C864 PolarHBondContact O-SG 2.95Å; I860-F871 HydrophobicContact CG1-CD1 4.24Å; I860-F871 HydrophobicContact CG1-CE1 4.36Å |
| 861 | R | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 16.5 Ų | 16.5 | 4% | 0.038 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.5 | -33.7 | 179.3 | -74.6 | -170.9 | -165.2 | 130.8 | 14.7 | 113.8 | W750 P752 A754 V756 D785 N787 I842 V857 T859 | W750-R861 WeakPolarHBondContact CB-O 3.49Å; W750-R861 HydrophobicContact CE3-CB 4.16Å; W750-R861 HydrophobicContact CZ3-CB 4.22Å; P752-R861 WeakPolarHBondContact O-CD 3.19Å; P752-R861 PolarHBondContact O-NE 2.93Å; P752-R861 PolarHBondContact O-NH1 3.01Å; A754-R861 PolarHBondContact O-NE 2.93Å; V756-R861 HydrophobicContact CG2-CG 3.82Å; D785-R861 VanDerWaalsContact CG-NH2 3.25Å; D785-R861 IonicContact OD1-CZ 3.7Å; D785-R861 IonicContact OD1-NH1 3.9Å; D785-R861 IonicContact OD1-NH2 3.82Å; D785-R861 PolarHBondContact OD1-NH2 3.45Å; D785-R861 IonicContact OD2-CZ 3.68Å; D785-R861 VanDerWaalsContact OD2-CZ 3.27Å; D785-R861 IonicContact OD2-NH1 3.54Å; D785-R861 PolarHBondContact OD2-NH1 3.36Å; D785-R861 IonicContact OD2-NH2 3.42Å; D785-R861 PolarHBondContact OD2-NH2 2.76Å; N787-R861 PolarHBondContact O-NH2 3.45Å; I842-R861 HydrophobicContact CD1-CG 4.17Å; V857-R861 WeakPolarHBondContact O-CG 3.03Å; V857-R861 PolarHBondContact O-N 2.86Å; V857-R861 VanDerWaalsContact O-N 3.08Å; T859-R861 VanDerWaalsContact C-N 3.33Å; T859-R861 PolarHBondContact O-N 2.77Å |
| 862 | K | 96 | Very high | 96.7 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.8 | -45.3 | 177 | -68 | 164.4 | -160.5 | 173.9 | 0 | 112 | L698 E700 T714 Y716 W750 D858 T859 I860 | L698-K862 HydrophobicContact CD2-CB 4.4Å; E700-K862 WeakPolarHBondContact OE1-CD 2.99Å; E700-K862 WeakPolarHBondContact OE1-CE 3.24Å; E700-K862 IonicContact OE1-NZ 2.73Å; E700-K862 PolarHBondContact OE1-NZ 2.79Å; E700-K862 IonicContact OE2-NZ 3.37Å; T714-K862 HydrophobicContact CG2-CD 3.81Å; T714-K862 HydrophobicContact CG2-CG 3.77Å; Y716-K862 WeakPolarHBondContact CE2-O 3.1Å; Y716-K862 PolarHBondContact OH-O 2.87Å; W750-K862 HydrophobicContact CD2-CG 4.25Å; W750-K862 HydrophobicContact CE3-CB 4.49Å; W750-K862 HydrophobicContact CE3-CG 3.96Å; W750-K862 HydrophobicContact CH2-CG 4.3Å; W750-K862 HydrophobicContact CZ3-CG 3.96Å; D858-K862 WeakPolarHBondContact O-CD 3.11Å; D858-K862 VanDerWaalsContact O-CE 3.25Å; D858-K862 WeakPolarHBondContact O-CE 3.26Å; D858-K862 VanDerWaalsContact O-CG 3.24Å; D858-K862 WeakPolarHBondContact O-CG 3.24Å; D858-K862 PolarHBondContact O-N 3.24Å; D858-K862 WeakPolarHBondContact OD2-CE 3.25Å; D858-K862 IonicContact OD2-NZ 3.38Å; D858-K862 PolarHBondContact OD2-NZ 3.13Å; T859-K862 PolarHBondContact O-N 3.01Å; I860-K862 VanDerWaalsContact C-N 3.28Å; I860-K862 PolarHBondContact O-N 3.01Å |
| 863 | H | 97.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -90.4 | -4.4 | -169.6 | -68.7 | -71.6 | 0 | 0 | 0 | 114.1 | T859 I860 M869 F871 E940 I942 | T859-H863 PolarHBondContact O-CD2 2.76Å; T859-H863 PolarHBondContact O-N 3.36Å; T859-H863 VanDerWaalsContact O-N 3.17Å; I860-H863 PolarHBondContact O-N 3.03Å; H863-M869 WeakPolarHBondContact O-CE 3.34Å; H863-F871 HydrophobicContact CB-CB 3.8Å; H863-F871 HydrophobicContact CB-CD1 3.99Å; H863-F871 HydrophobicContact CB-CD2 3.37Å; H863-F871 HydrophobicContact CB-CE1 4.39Å; H863-F871 HydrophobicContact CB-CE2 3.83Å; H863-F871 HydrophobicContact CB-CG 3.45Å; H863-F871 VanDerWaalsContact CB-CG 3.45Å; H863-F871 HydrophobicContact CB-CZ 4.31Å; H863-F871 AromaticContact CG-CE2 3.99Å; H863-E940 HydrophobicContact CB-CG 4.44Å; H863-E940 IonicContact ND1-OE2 3.23Å; H863-I942 WeakPolarHBondContact CE1-CD1 3.18Å |
| 864 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -97.8 | 131.1 | 162.9 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | I842 I860 M869 G900 Y902 | I842-C864 HydrophobicContact CD1-CB 3.87Å; I842-C864 HydrophobicContact CG1-CB 4.19Å; I842-C864 HydrophobicContact CG2-CB 4.29Å; I860-C864 PolarHBondContact O-N 2.64Å; I860-C864 PolarHBondContact O-SG 2.95Å; C864-M869 WeakPolarHBondContact CA-O 3.47Å; C864-G900 VanDerWaalsContact SG-C 3.51Å; C864-Y902 HydrophobicContact CB-CD2 4.04Å; C864-Y902 HydrophobicContact CB-CE2 3.7Å | ||
| 865 | V | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 113.4 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | Y716 F748 W750 G867 Y868 M869 | Y716-V865 HydrophobicContact CE2-CG2 4.03Å; F748-V865 HydrophobicContact CD1-CG1 4.29Å; F748-V865 HydrophobicContact CD1-CG2 4.27Å; F748-V865 HydrophobicContact CD2-CG1 4.27Å; F748-V865 HydrophobicContact CE1-CB 4.41Å; F748-V865 HydrophobicContact CE1-CG2 3.87Å; F748-V865 HydrophobicContact CG-CG1 4.16Å; F748-V865 HydrophobicContact CZ-CB 4.35Å; F748-V865 HydrophobicContact CZ-CG2 4.17Å; W750-V865 HydrophobicContact CB-CG2 4.26Å; V865-G867 PolarHBondContact O-N 2.91Å; V865-Y868 HydrophobicContact CG1-CD2 4.08Å; V865-Y868 PolarHBondContact O-N 3.05Å; V865-M869 HydrophobicContact CB-CB 4.21Å; V865-M869 HydrophobicContact CB-CE 4.25Å; V865-M869 HydrophobicContact CG2-CE 3.65Å; V865-M869 PolarHBondContact N-O 3.22Å; V865-M869 PolarHBondContact O-N 2.99Å |
| 866 | E | 97.8 | Very high | 97 | Very high | 65 Ų | 65 | 11.7 Ų | 11.7 | 30% | 0.304 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 127.6 | -174.1 | -171.7 | 174.2 | -153.1 | 0 | 0 | 112.5 | H840 Y868 Y902 S904 D905 | H840-E866 IonicContact CE1-OE1 3.53Å; H840-E866 IonicContact CE1-OE2 3.86Å; H840-E866 IonicContact CG-OE1 2.84Å; H840-E866 VanDerWaalsContact ND1-CD 3.32Å; H840-E866 IonicContact ND1-OE1 3.22Å; H840-E866 PolarHBondContact ND1-OE1 3.24Å; H840-E866 IonicContact ND1-OE2 2.73Å; H840-E866 PolarHBondContact ND1-OE2 2.93Å; E866-Y868 VanDerWaalsContact C-N 3.26Å; E866-Y868 VanDerWaalsContact O-CD2 3.3Å; E866-Y868 WeakPolarHBondContact O-CD2 3.45Å; E866-Y868 PolarHBondContact O-N 3.42Å; E866-Y902 HydrophobicContact CB-CD1 3.84Å; E866-Y902 HydrophobicContact CB-CD2 3.76Å; E866-Y902 HydrophobicContact CB-CE1 4.05Å; E866-Y902 HydrophobicContact CB-CE2 3.98Å; E866-Y902 HydrophobicContact CB-CG 3.69Å; E866-Y902 HydrophobicContact CG-CD1 4.06Å; E866-Y902 HydrophobicContact CG-CD2 4.48Å; E866-Y902 HydrophobicContact CG-CG 3.97Å; E866-Y902 VanDerWaalsContact N-CE2 3.3Å; E866-S904 WeakPolarHBondContact CG-OG 3.23Å; E866-S904 WeakPolarHBondContact OE1-CB 3.26Å; E866-S904 PolarHBondContact OE1-OG 2.65Å; E866-D905 WeakPolarHBondContact CA-OD2 3.28Å |
| 867 | G | 96.5 | Very high | 96.9 | Very high | 44 Ų | 44 | 14 Ų | 14 | 45% | 0.454 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 4.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | V865 D905 | V865-G867 PolarHBondContact O-N 2.91Å; G867-D905 WeakPolarHBondContact CA-OD1 3.27Å; G867-D905 VanDerWaalsContact N-CG 3.32Å; G867-D905 PolarHBondContact N-OD1 3.36Å; G867-D905 PolarHBondContact N-OD2 2.84Å |
| 868 | Y | 96.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 14.1 Ų | 14.1 | 28% | 0.282 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | -36.7 | -175.9 | -66.9 | -82.2 | 0 | 0 | 0 | 116 | Y246 G747 F748 V865 E866 E938 | Y246-Y868 AromaticContact CD1-CD1 3.9Å; Y246-Y868 HydrophobicContact CD1-CD1 3.9Å; Y246-Y868 HydrophobicContact CD1-CE1 4.15Å; Y246-Y868 HydrophobicContact CE1-CD1 4.47Å; G747-Y868 VanDerWaalsContact C-CE2 3.45Å; F748-Y868 AromaticContact CD2-CD1 3.97Å; F748-Y868 HydrophobicContact CD2-CD1 3.97Å; F748-Y868 HydrophobicContact CD2-CD2 4.35Å; F748-Y868 AromaticContact CD2-CG 3.71Å; F748-Y868 HydrophobicContact CD2-CG 3.71Å; F748-Y868 HydrophobicContact CE2-CG 4.33Å; V865-Y868 HydrophobicContact CG1-CD2 4.08Å; V865-Y868 PolarHBondContact O-N 3.05Å; E866-Y868 VanDerWaalsContact C-N 3.26Å; E866-Y868 VanDerWaalsContact O-CD2 3.3Å; E866-Y868 WeakPolarHBondContact O-CD2 3.45Å; E866-Y868 PolarHBondContact O-N 3.42Å; Y868-E938 PolarHBondContact O-N 3.1Å |
| 869 | M | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 128.5 | -166.6 | -176.8 | 174.7 | 66.2 | 0 | 0 | 113.9 | R696 Y716 F748 H863 C864 V865 E938 E940 | R696-M869 PolarHBondContact NH2-SD 3.32Å; R696-M869 VanDerWaalsContact NH2-SD 3.4Å; Y716-M869 HydrophobicContact CE2-CE 4.31Å; Y716-M869 VanDerWaalsContact OH-CE 3.29Å; Y716-M869 WeakPolarHBondContact OH-CE 3.46Å; F748-M869 HydrophobicContact CE1-CE 4.08Å; F748-M869 HydrophobicContact CE2-CB 4.2Å; F748-M869 HydrophobicContact CZ-CB 4.15Å; F748-M869 HydrophobicContact CZ-CE 3.67Å; F748-M869 HydrophobicContact CZ-SD 3.76Å; H863-M869 WeakPolarHBondContact O-CE 3.34Å; C864-M869 WeakPolarHBondContact CA-O 3.47Å; V865-M869 HydrophobicContact CB-CB 4.21Å; V865-M869 HydrophobicContact CB-CE 4.25Å; V865-M869 HydrophobicContact CG2-CE 3.65Å; V865-M869 PolarHBondContact N-O 3.22Å; V865-M869 PolarHBondContact O-N 2.99Å; M869-E938 WeakPolarHBondContact CA-O 3.33Å; M869-E938 HydrophobicContact CB-CB 4.09Å; M869-E938 HydrophobicContact CG-CB 3.98Å; M869-E940 HydrophobicContact CG-CB 4.18Å; M869-E940 HydrophobicContact SD-CB 3.83Å; M869-E940 HydrophobicContact SD-CG 4.35Å |
| 870 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 160.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L899 G900 I901 I932 E938 V939 E940 | A870-L899 HydrophobicContact CB-CD1 4.2Å; A870-G900 CarbonylContact C-O 3.57Å; A870-G900 WeakPolarHBondContact CA-O 3.44Å; A870-G900 WeakPolarHBondContact CB-O 3.32Å; A870-I901 HydrophobicContact CB-CB 4.11Å; A870-I901 HydrophobicContact CB-CD1 4.25Å; A870-I901 HydrophobicContact CB-CG1 4.15Å; A870-I932 HydrophobicContact CB-CG2 4.29Å; A870-E938 PolarHBondContact N-O 2.72Å; A870-V939 WeakPolarHBondContact O-CA 3.12Å; A870-E940 PolarHBondContact O-N 2.94Å |
| 871 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.2 | -176.1 | 179.4 | -133 | 0 | 0 | 0 | 111.6 | T859 I860 H863 P873 L899 G900 E940 I942 L944 | T859-F871 HydrophobicContact CG2-CE1 4.05Å; T859-F871 HydrophobicContact CG2-CZ 4Å; I860-F871 HydrophobicContact CG1-CD1 4.24Å; I860-F871 HydrophobicContact CG1-CE1 4.36Å; H863-F871 HydrophobicContact CB-CB 3.8Å; H863-F871 HydrophobicContact CB-CD1 3.99Å; H863-F871 HydrophobicContact CB-CD2 3.37Å; H863-F871 HydrophobicContact CB-CE1 4.39Å; H863-F871 HydrophobicContact CB-CE2 3.83Å; H863-F871 HydrophobicContact CB-CG 3.45Å; H863-F871 VanDerWaalsContact CB-CG 3.45Å; H863-F871 HydrophobicContact CB-CZ 4.31Å; H863-F871 AromaticContact CG-CE2 3.99Å; F871-P873 HydrophobicContact CD1-CG 4.36Å; F871-P873 HydrophobicContact CE1-CB 3.82Å; F871-P873 HydrophobicContact CE1-CG 3.99Å; F871-P873 HydrophobicContact CE2-CB 4.32Å; F871-P873 HydrophobicContact CZ-CB 3.69Å; F871-P873 HydrophobicContact CZ-CG 4.34Å; F871-P873 WeakPolarHBondContact O-CD 3.26Å; F871-L899 CarbonylContact O-C 3.58Å; F871-L899 WeakPolarHBondContact O-CA 3.34Å; F871-G900 PolarHBondContact N-O 3.21Å; F871-G900 PolarHBondContact O-N 2.72Å; F871-E940 HydrophobicContact CD2-CB 4.25Å; F871-E940 HydrophobicContact CD2-CG 4.33Å; F871-E940 WeakPolarHBondContact CD2-O 3.49Å; F871-I942 HydrophobicContact CE2-CB 4.25Å; F871-I942 HydrophobicContact CE2-CD1 4.48Å; F871-L944 HydrophobicContact CE1-CD1 4.33Å; F871-L944 HydrophobicContact CZ-CD1 4.1Å; F871-L944 HydrophobicContact CZ-CD2 4.26Å; F871-L944 HydrophobicContact CZ-CG 4.37Å |
| 872 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -115.6 | 88.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | F896 L898 L899 V939 E940 R941 | A872-F896 HydrophobicContact CB-CD1 4.13Å; A872-L898 WeakPolarHBondContact CA-O 3.4Å; A872-L899 HydrophobicContact CB-CD1 4.17Å; A872-V939 HydrophobicContact CB-CG1 3.79Å; A872-E940 PolarHBondContact N-O 2.84Å; A872-R941 HydrophobicContact CB-CG 4.06Å; A872-R941 WeakPolarHBondContact O-CG 3.47Å | ||
| 873 | P | 96.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 135.3 | -177.6 | 25.7 | -33.7 | 0 | 0 | 0 | 111.8 | F844 F871 L898 L944 F947 | F844-P873 HydrophobicContact CE2-CG 4Å; F844-P873 HydrophobicContact CZ-CG 3.92Å; F871-P873 HydrophobicContact CD1-CG 4.36Å; F871-P873 HydrophobicContact CE1-CB 3.82Å; F871-P873 HydrophobicContact CE1-CG 3.99Å; F871-P873 HydrophobicContact CE2-CB 4.32Å; F871-P873 HydrophobicContact CZ-CB 3.69Å; F871-P873 HydrophobicContact CZ-CG 4.34Å; F871-P873 WeakPolarHBondContact O-CD 3.26Å; P873-L898 HydrophobicContact CG-CB 4.4Å; P873-L944 HydrophobicContact CB-CD1 3.53Å; P873-L944 HydrophobicContact CB-CG 3.9Å; P873-L944 HydrophobicContact CG-CD1 4.48Å; P873-F947 HydrophobicContact CB-CD1 4.38Å; P873-F947 HydrophobicContact CB-CE1 3.82Å; P873-F947 HydrophobicContact CG-CE1 3.88Å; P873-F947 HydrophobicContact CG-CZ 4.28Å |
| 874 | I | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.2 | 173.7 | -58.9 | 169.7 | 0 | 0 | 0 | 108.2 | L268 W891 R941 I942 Y943 L944 | L268-I874 HydrophobicContact CD2-CD1 4.18Å; I874-W891 HydrophobicContact CG2-CB 4.02Å; I874-W891 HydrophobicContact CG2-CE3 4.12Å; I874-R941 HydrophobicContact CD1-CB 4.13Å; I874-R941 HydrophobicContact CG1-CB 4.36Å; I874-I942 PolarHBondContact N-O 2.8Å; I874-Y943 HydrophobicContact CB-CD1 3.9Å; I874-Y943 HydrophobicContact CB-CE1 4.35Å; I874-Y943 HydrophobicContact CB-CG 4.14Å; I874-Y943 HydrophobicContact CD1-CD1 4.1Å; I874-Y943 HydrophobicContact CD1-CD2 3.92Å; I874-Y943 HydrophobicContact CD1-CE1 3.89Å; I874-Y943 HydrophobicContact CD1-CE2 3.68Å; I874-Y943 HydrophobicContact CD1-CG 4.14Å; I874-Y943 HydrophobicContact CG2-CD1 3.46Å; I874-Y943 VanDerWaalsContact CG2-CD1 3.46Å; I874-Y943 HydrophobicContact CG2-CE1 3.68Å; I874-Y943 HydrophobicContact CG2-CG 4.21Å; I874-L944 PolarHBondContact O-N 2.77Å; I874-L944 VanDerWaalsContact O-N 3.1Å |
| 875 | V | 95.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 149.4 | -178.3 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | I850 E892 L898 F947 H949 | I850-V875 HydrophobicContact CD1-CG2 4.45Å; V875-E892 HydrophobicContact CG1-CB 3.82Å; V875-E892 HydrophobicContact CG1-CG 4.39Å; V875-E892 PolarHBondContact O-N 2.77Å; V875-L898 HydrophobicContact CB-CD1 3.77Å; V875-L898 HydrophobicContact CG1-CD1 3.66Å; V875-L898 HydrophobicContact CG2-CD1 4.36Å; V875-F947 HydrophobicContact CB-CD1 3.67Å; V875-F947 HydrophobicContact CB-CE1 3.67Å; V875-F947 HydrophobicContact CG2-CD1 3.65Å; V875-F947 HydrophobicContact CG2-CD2 4.49Å; V875-F947 HydrophobicContact CG2-CE1 3.86Å; V875-F947 HydrophobicContact CG2-CG 4.01Å; V875-F947 HydrophobicContact CG2-CZ 4.39Å; V875-F947 WeakPolarHBondContact CG2-O 3.37Å; V875-H949 HydrophobicContact CG1-CB 4.03Å; V875-H949 HydrophobicContact CG2-CB 3.86Å; V875-H949 VanDerWaalsContact CG2-N 3.34Å |
| 876 | L | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.4 | 170 | -173.9 | 78 | 0 | 0 | 0 | 109.7 | M217 L279 L878 A887 Y890 W891 F947 F948 H949 | M217-L876 HydrophobicContact CE-CD2 4.33Å; M217-L876 HydrophobicContact SD-CD2 4.02Å; L279-L876 HydrophobicContact CD1-CD1 3.4Å; L279-L876 HydrophobicContact CD2-CD1 3.9Å; L279-L876 HydrophobicContact CG-CD1 4.26Å; L876-L878 HydrophobicContact CD2-CD2 4.23Å; L876-L878 PolarHBondContact O-N 2.83Å; L876-A887 HydrophobicContact CD2-CB 4.07Å; L876-Y890 VanDerWaalsContact CD1-C 3.48Å; L876-Y890 WeakPolarHBondContact CD1-O 3.41Å; L876-W891 HydrophobicContact CB-CD2 4.43Å; L876-W891 HydrophobicContact CB-CE3 3.83Å; L876-W891 HydrophobicContact CB-CH2 4.22Å; L876-W891 HydrophobicContact CB-CZ3 3.73Å; L876-W891 HydrophobicContact CD1-CD2 3.87Å; L876-W891 HydrophobicContact CD1-CE3 4.13Å; L876-W891 HydrophobicContact CD1-CG 4.24Å; L876-W891 HydrophobicContact CD1-CZ2 4.49Å; L876-F947 PolarHBondContact N-O 3.02Å; L876-F947 VanDerWaalsContact N-O 3.1Å; L876-F948 HydrophobicContact CB-CD1 3.93Å; L876-F948 HydrophobicContact CB-CE1 4.34Å; L876-F948 HydrophobicContact CD2-CD1 3.75Å; L876-F948 HydrophobicContact CD2-CE1 3.65Å; L876-F948 HydrophobicContact CG-CD1 4.32Å; L876-F948 CarbonylContact O-C 3.58Å; L876-F948 WeakPolarHBondContact O-CA 3.48Å; L876-H949 PolarHBondContact O-N 3.23Å |
| 877 | R | 94.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 23.5 Ų | 23.5 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.5 | 165.5 | -82.9 | -176.8 | -176.5 | -67.7 | -13.5 | 109.1 | G889 Y890 E892 H949 | R877-G889 CarbonylContact O-C 3.56Å; R877-G889 WeakPolarHBondContact O-CA 3.21Å; R877-Y890 HydrophobicContact CB-CD1 4.41Å; R877-Y890 HydrophobicContact CB-CD2 4.44Å; R877-Y890 HydrophobicContact CB-CE1 4.08Å; R877-Y890 HydrophobicContact CB-CE2 4.1Å; R877-Y890 WeakPolarHBondContact CD-OH 3.33Å; R877-Y890 HydrophobicContact CG-CE2 4.43Å; R877-Y890 PolarHBondContact N-O 2.79Å; R877-Y890 PolarHBondContact O-N 3.4Å; R877-E892 WeakPolarHBondContact CD-OE2 3.28Å; R877-E892 HydrophobicContact CG-CB 4.23Å; R877-E892 IonicContact CZ-OE2 2.75Å; R877-E892 IonicContact NE-OE2 2.77Å; R877-E892 PolarHBondContact NE-OE2 2.81Å; R877-E892 IonicContact NH2-OE2 3.57Å; R877-H949 HydrophobicContact CG-CB 4.06Å; R877-H949 PolarHBondContact NH1-CD2 2.83Å; R877-H949 PolarHBondContact NH1-CE1 3.22Å; R877-H949 PolarHBondContact NH1-ND1 3.21Å; R877-H949 PolarHBondContact NH1-NE2 2.84Å |
| 878 | L | 93.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 139.3 | 172.9 | -67.7 | 174.9 | 0 | 0 | 0 | 110.2 | L876 P884 A887 F948 H949 | L876-L878 HydrophobicContact CD2-CD2 4.23Å; L876-L878 PolarHBondContact O-N 2.83Å; L878-P884 HydrophobicContact CD1-CG 4.29Å; L878-A887 HydrophobicContact CD2-CB 4.15Å; L878-F948 HydrophobicContact CD1-CB 3.96Å; L878-F948 HydrophobicContact CD1-CG 4.34Å; L878-F948 HydrophobicContact CD2-CD1 3.95Å; L878-F948 HydrophobicContact CD2-CG 4.46Å; L878-F948 HydrophobicContact CG-CB 4.11Å; L878-F948 HydrophobicContact CG-CD1 4.29Å; L878-F948 HydrophobicContact CG-CG 4.44Å; L878-H949 PolarHBondContact N-O 2.79Å |
| 879 | N | 91.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 23 Ų | 23 | 32% | 0.321 | 13% | 0.128 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 154.4 | 171.1 | -74.5 | -12.7 | 0 | 0 | 0 | 110.3 | G881 S882 R888 | N879-G881 PolarHBondContact O-N 3.16Å; N879-S882 WeakPolarHBondContact O-CB 3.49Å; N879-S882 PolarHBondContact O-N 2.89Å; N879-S882 PolarHBondContact O-OG 3.42Å; N879-S882 VanDerWaalsContact O-OG 3.11Å; N879-R888 PolarHBondContact N-O 3.45Å |
| 880 | C | 89.7 | Confident | 92.6 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 132.2 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | C30 S882 Y951 | C30-C880 HydrophobicContact CB-CB 3.73Å; C30-C880 WeakPolarHBondContact CB-SG 3.46Å; C30-C880 PolarHBondContact N-SG 2.75Å; C30-C880 WeakPolarHBondContact SG-CB 3.24Å; C30-C880 CovalentContact SG-SG 2.03Å; C30-C880 PolarHBondContact SG-SG 3.45Å; C880-S882 VanDerWaalsContact C-N 3.28Å; C880-S882 PolarHBondContact O-N 2.69Å; C880-Y951 VanDerWaalsContact CA-CG 3.48Å; C880-Y951 HydrophobicContact CB-CD1 3.72Å; C880-Y951 HydrophobicContact CB-CD2 3.76Å; C880-Y951 HydrophobicContact CB-CE1 3.77Å; C880-Y951 HydrophobicContact CB-CE2 3.8Å; C880-Y951 HydrophobicContact CB-CG 3.71Å; C880-Y951 VanDerWaalsContact SG-CD1 3.57Å; C880-Y951 WeakPolarHBondContact SG-CE1 3.36Å |
| 881 | G | 88.7 | Confident | 92.4 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 6.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N879 | N879-G881 PolarHBondContact O-N 3.16Š|
| 882 | S | 90.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -99.6 | 154.7 | 176.2 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | N879 C880 R888 | N879-S882 WeakPolarHBondContact O-CB 3.49Å; N879-S882 PolarHBondContact O-N 2.89Å; N879-S882 PolarHBondContact O-OG 3.42Å; N879-S882 VanDerWaalsContact O-OG 3.11Å; C880-S882 VanDerWaalsContact C-N 3.28Å; C880-S882 PolarHBondContact O-N 2.69Å; S882-R888 WeakPolarHBondContact CB-O 3.36Å; S882-R888 PolarHBondContact OG-O 2.84Å | ||
| 883 | T | 90.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -123.5 | 164.7 | -176.7 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | W29 K39 S885 D886 A887 | W29-T883 HydrophobicContact CH2-CG2 4.21Å; K39-T883 HydrophobicContact CB-CG2 4.12Å; K39-T883 WeakPolarHBondContact O-CG2 3.33Å; T883-S885 PolarHBondContact O-N 3.38Å; T883-S885 VanDerWaalsContact O-N 3.11Å; T883-S885 PolarHBondContact OG1-N 3.09Å; T883-S885 PolarHBondContact OG1-OG 3.41Å; T883-D886 CarbonylContact O-C 3.58Å; T883-D886 PolarHBondContact O-N 2.98Å; T883-D886 PolarHBondContact OG1-N 3.3Å; T883-A887 WeakPolarHBondContact O-CA 3.44Å; T883-A887 PolarHBondContact O-N 2.79Å |
| 884 | P | 90.7 | Very high | 91.3 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -28.5 | 168.1 | -30.3 | 38.2 | 0 | 0 | 0 | 114.1 | L218 L878 F948 | L218-P884 WeakPolarHBondContact CD1-O 3.44Å; L218-P884 WeakPolarHBondContact CD2-O 3.19Å; L878-P884 HydrophobicContact CD1-CG 4.29Å; P884-F948 HydrophobicContact CB-CD2 3.65Å; P884-F948 HydrophobicContact CB-CE2 3.72Å; P884-F948 HydrophobicContact CG-CD2 4Å |
| 885 | S | 87.4 | Confident | 91 | Very high | 101 Ų | 101 | 31.9 Ų | 31.9 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.6 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | T883 | T883-S885 PolarHBondContact O-N 3.38Å; T883-S885 VanDerWaalsContact O-N 3.11Å; T883-S885 PolarHBondContact OG1-N 3.09Å; T883-S885 PolarHBondContact OG1-OG 3.41Å |
| 886 | D | 87.1 | Confident | 90.8 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | B | Isolated β-bridge | trans | -128.7 | 64.1 | 171.2 | 179.7 | 40 | 0 | 0 | 0 | 108 | T883 R888 | T883-D886 CarbonylContact O-C 3.58Å; T883-D886 PolarHBondContact O-N 2.98Å; T883-D886 PolarHBondContact OG1-N 3.3Å; D886-R888 PolarHBondContact O-N 3.28Å; D886-R888 IonicContact OD1-NE 3.6Å; D886-R888 PolarHBondContact OD1-NE 3.3Å; D886-R888 IonicContact OD2-CZ 3.21Å; D886-R888 IonicContact OD2-NE 3.93Å; D886-R888 PolarHBondContact OD2-NE 3Å; D886-R888 IonicContact OD2-NH2 2.96Å; D886-R888 PolarHBondContact OD2-NH2 2.8Å |
| 887 | A | 89.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -71.6 | 69.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V215 L218 H281 L876 L878 T883 F948 | V215-A887 HydrophobicContact CG1-CB 4.39Å; V215-A887 HydrophobicContact CG2-CB 4.36Å; L218-A887 HydrophobicContact CD1-CB 4.31Å; H281-A887 PolarHBondContact NE2-O 2.92Å; L876-A887 HydrophobicContact CD2-CB 4.07Å; L878-A887 HydrophobicContact CD2-CB 4.15Å; T883-A887 WeakPolarHBondContact O-CA 3.44Å; T883-A887 PolarHBondContact O-N 2.79Å; A887-F948 HydrophobicContact CB-CE1 3.72Å; A887-F948 HydrophobicContact CB-CZ 4.1Å | ||
| 888 | R | 90.1 | Very high | 90.7 | Very high | 101 Ų | 101 | 30.9 Ų | 30.9 | 38% | 0.381 | 18% | 0.175 | S | C | . | . | trans | -91.8 | 130.8 | 168.5 | -65.5 | -178.7 | -71.8 | 119.1 | 7.4 | 108.5 | M282 N879 S882 D886 | M282-R888 HydrophobicContact CE-CB 4.29Å; M282-R888 HydrophobicContact SD-CB 3.79Å; M282-R888 HydrophobicContact SD-CG 3.83Å; N879-R888 PolarHBondContact N-O 3.45Å; S882-R888 WeakPolarHBondContact CB-O 3.36Å; S882-R888 PolarHBondContact OG-O 2.84Å; D886-R888 PolarHBondContact O-N 3.28Å; D886-R888 IonicContact OD1-NE 3.6Å; D886-R888 PolarHBondContact OD1-NE 3.3Å; D886-R888 IonicContact OD2-CZ 3.21Å; D886-R888 IonicContact OD2-NE 3.93Å; D886-R888 PolarHBondContact OD2-NE 3Å; D886-R888 IonicContact OD2-NH2 2.96Å; D886-R888 PolarHBondContact OD2-NH2 2.8Å | ||
| 889 | G | 91.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -165.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R877 | R877-G889 CarbonylContact O-C 3.56Å; R877-G889 WeakPolarHBondContact O-CA 3.21Å |
| 890 | Y | 91.8 | Very high | 91.2 | Very high | 71 Ų | 71 | 28 Ų | 28 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.5 | 175.9 | 66 | -91.4 | 0 | 0 | 0 | 110.9 | N646 L876 R877 | N646-Y890 HydrophobicContact CB-CD2 4.36Å; L876-Y890 VanDerWaalsContact CD1-C 3.48Å; L876-Y890 WeakPolarHBondContact CD1-O 3.41Å; R877-Y890 HydrophobicContact CB-CD1 4.41Å; R877-Y890 HydrophobicContact CB-CD2 4.44Å; R877-Y890 HydrophobicContact CB-CE1 4.08Å; R877-Y890 HydrophobicContact CB-CE2 4.1Å; R877-Y890 WeakPolarHBondContact CD-OH 3.33Å; R877-Y890 HydrophobicContact CG-CE2 4.43Å; R877-Y890 PolarHBondContact N-O 2.79Å; R877-Y890 PolarHBondContact O-N 3.4Å |
| 891 | W | 93.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 131 | 176.1 | -68.4 | 116.2 | 0 | 0 | 0 | 110.8 | M217 T277 L279 N646 I874 L876 V893 Y943 L944 | M217-W891 HydrophobicContact CE-CH2 3.51Å; M217-W891 HydrophobicContact CE-CZ2 3.94Å; M217-W891 HydrophobicContact CE-CZ3 4.44Å; T277-W891 HydrophobicContact CG2-CH2 4.45Å; T277-W891 HydrophobicContact CG2-CZ2 4.32Å; T277-W891 VanDerWaalsContact O-CE2 3.29Å; T277-W891 WeakPolarHBondContact O-CZ2 3.39Å; T277-W891 PolarHBondContact O-NE1 3.29Å; L279-W891 HydrophobicContact CD1-CG 4.36Å; L279-W891 HydrophobicContact CD2-CZ2 4.01Å; N646-W891 WeakPolarHBondContact O-CB 3.23Å; N646-W891 PolarHBondContact O-N 2.87Å; I874-W891 HydrophobicContact CG2-CB 4.02Å; I874-W891 HydrophobicContact CG2-CE3 4.12Å; L876-W891 HydrophobicContact CB-CD2 4.43Å; L876-W891 HydrophobicContact CB-CE3 3.83Å; L876-W891 HydrophobicContact CB-CH2 4.22Å; L876-W891 HydrophobicContact CB-CZ3 3.73Å; L876-W891 HydrophobicContact CD1-CD2 3.87Å; L876-W891 HydrophobicContact CD1-CE3 4.13Å; L876-W891 HydrophobicContact CD1-CG 4.24Å; L876-W891 HydrophobicContact CD1-CZ2 4.49Å; W891-V893 HydrophobicContact CB-CG2 4.12Å; W891-V893 PolarHBondContact O-N 2.96Å; W891-Y943 HydrophobicContact CB-CD1 3.8Å; W891-Y943 HydrophobicContact CB-CE1 3.62Å; W891-Y943 AromaticContact CD1-CD1 3.82Å; W891-Y943 AromaticContact CD1-CE1 3.94Å; W891-Y943 AromaticContact CD2-CD1 3.48Å; W891-Y943 HydrophobicContact CD2-CD1 3.48Å; W891-Y943 VanDerWaalsContact CD2-CD1 3.48Å; W891-Y943 HydrophobicContact CD2-CE1 4.21Å; W891-Y943 HydrophobicContact CD2-CG 4.43Å; W891-Y943 AromaticContact CE2-CD1 3.93Å; W891-Y943 AromaticContact CE3-CD1 3.85Å; W891-Y943 HydrophobicContact CE3-CD1 3.85Å; W891-Y943 AromaticContact CG-CD1 3.44Å; W891-Y943 HydrophobicContact CG-CD1 3.44Å; W891-Y943 VanDerWaalsContact CG-CD1 3.44Å; W891-Y943 AromaticContact CG-CE1 3.66Å; W891-Y943 HydrophobicContact CG-CE1 3.66Å; W891-L944 VanDerWaalsContact CH2-O 3.23Å; W891-L944 WeakPolarHBondContact CH2-O 3.39Å; W891-L944 WeakPolarHBondContact CZ3-O 3.44Å |
| 892 | E | 92.5 | Very high | 92.1 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | trans | -78.4 | 73.2 | 176.7 | -179.2 | 45.8 | -83.3 | 0 | 0 | 110.7 | V875 R877 N894 G895 | V875-E892 HydrophobicContact CG1-CB 3.82Å; V875-E892 HydrophobicContact CG1-CG 4.39Å; V875-E892 PolarHBondContact O-N 2.77Å; R877-E892 WeakPolarHBondContact CD-OE2 3.28Å; R877-E892 HydrophobicContact CG-CB 4.23Å; R877-E892 IonicContact CZ-OE2 2.75Å; R877-E892 IonicContact NE-OE2 2.77Å; R877-E892 PolarHBondContact NE-OE2 2.81Å; R877-E892 IonicContact NH2-OE2 3.57Å; E892-N894 PolarHBondContact O-N 2.82Å; E892-N894 WeakPolarHBondContact OE1-CA 3.38Å; E892-N894 WeakPolarHBondContact OE1-CB 3.28Å; E892-N894 PolarHBondContact OE1-N 2.93Å; E892-G895 PolarHBondContact OE1-N 2.86Å | ||
| 893 | V | 89.4 | Confident | 92.5 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.9 | -24.2 | -177.7 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | I641 L643 W891 R941 Y943 | I641-V893 HydrophobicContact CG2-CG1 3.45Å; I641-V893 VanDerWaalsContact CG2-CG1 3.45Å; L643-V893 HydrophobicContact CD2-CG1 4.42Å; W891-V893 HydrophobicContact CB-CG2 4.12Å; W891-V893 PolarHBondContact O-N 2.96Å; V893-R941 PolarHBondContact O-NH2 2.77Å; V893-Y943 HydrophobicContact CG2-CE1 4.01Å |
| 894 | N | 87.1 | Confident | 92.9 | Very high | 63 Ų | 63 | 27.4 Ų | 27.4 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -92.5 | -25.9 | -172.3 | -59.6 | -11.4 | 0 | 0 | 0 | 112.6 | L643 E892 F896 W926 | L643-N894 VanDerWaalsContact CB-OD1 3.31Å; L643-N894 WeakPolarHBondContact CB-OD1 3.22Å; L643-N894 WeakPolarHBondContact CD2-OD1 3.42Å; L643-N894 PolarHBondContact O-OD1 2.76Å; E892-N894 PolarHBondContact O-N 2.82Å; E892-N894 WeakPolarHBondContact OE1-CA 3.38Å; E892-N894 WeakPolarHBondContact OE1-CB 3.28Å; E892-N894 PolarHBondContact OE1-N 2.93Å; N894-F896 WeakPolarHBondContact O-CD2 3.17Å; N894-W926 HydrophobicContact CB-CZ2 4.47Å; N894-W926 PolarHBondContact O-NE1 3.04Å |
| 895 | G | 89.8 | Confident | 93.2 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 24% | 0.237 | 15% | 0.146 | C | C | . | . | trans | -73.6 | 130.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | E892 R941 | E892-G895 PolarHBondContact OE1-N 2.86Å; G895-R941 PolarHBondContact O-NH1 2.96Å; G895-R941 PolarHBondContact O-NH2 2.76Å | ||
| 896 | F | 92.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 4% | 0.044 | 11% | 0.112 | C | C | . | . | trans | -115.8 | -4.8 | 169.5 | -74.7 | -103.3 | 0 | 0 | 0 | 112.1 | L263 V266 A872 N894 L898 D925 W926 L929 V939 R941 | L263-F896 HydrophobicContact CD2-CD2 4Å; L263-F896 HydrophobicContact CD2-CE2 3.41Å; L263-F896 VanDerWaalsContact CD2-CE2 3.41Å; L263-F896 HydrophobicContact CD2-CZ 4.03Å; V266-F896 HydrophobicContact CB-CZ 4.45Å; V266-F896 HydrophobicContact CG1-CE1 4.45Å; V266-F896 HydrophobicContact CG2-CE1 4.01Å; V266-F896 HydrophobicContact CG2-CZ 4.12Å; A872-F896 HydrophobicContact CB-CD1 4.13Å; N894-F896 WeakPolarHBondContact O-CD2 3.17Å; F896-L898 CarbonylContact O-C 3.45Å; F896-L898 PolarHBondContact O-N 2.91Å; F896-D925 WeakPolarHBondContact CA-OD2 3.17Å; F896-D925 HydrophobicContact CB-CB 3.86Å; F896-D925 PolarHBondContact N-OD2 2.63Å; F896-W926 AromaticContact CD2-CD1 3.94Å; F896-L929 HydrophobicContact CD1-CB 4.39Å; F896-L929 HydrophobicContact CD1-CD1 3.91Å; F896-L929 HydrophobicContact CD1-CD2 3.82Å; F896-L929 HydrophobicContact CD1-CG 4.25Å; F896-L929 HydrophobicContact CD2-CD2 4.28Å; F896-L929 HydrophobicContact CE1-CD1 3.72Å; F896-L929 HydrophobicContact CE1-CD2 3.52Å; F896-L929 HydrophobicContact CE1-CG 4.18Å; F896-L929 HydrophobicContact CE2-CD2 4.06Å; F896-L929 HydrophobicContact CG-CD2 4.18Å; F896-L929 HydrophobicContact CZ-CD2 3.66Å; F896-V939 HydrophobicContact CE1-CG1 4.29Å; F896-R941 HydrophobicContact CE1-CG 4.48Å | ||
| 897 | G | 90.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 11% | 0.113 | 12% | 0.115 | C | C | . | . | trans | -62.7 | -6.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | R825 D925 | R825-G897 PolarHBondContact NH2-O 2.88Å; G897-D925 VanDerWaalsContact N-CB 3.3Å; G897-D925 PolarHBondContact N-OD2 3.16Å | ||
| 898 | L | 96.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -101.7 | 109.7 | 164.1 | -55.6 | -177.8 | 0 | 0 | 0 | 108.4 | L845 C846 D847 I850 A872 P873 V875 F896 F947 | L845-L898 WeakPolarHBondContact O-CA 3.47Å; C846-L898 HydrophobicContact CB-CD2 3.98Å; D847-L898 HydrophobicContact CB-CD2 4.47Å; I850-L898 HydrophobicContact CD1-CD1 4.13Å; I850-L898 HydrophobicContact CD1-CD2 4.25Å; I850-L898 HydrophobicContact CG1-CD2 4.31Å; A872-L898 WeakPolarHBondContact CA-O 3.4Å; P873-L898 HydrophobicContact CG-CB 4.4Å; V875-L898 HydrophobicContact CB-CD1 3.77Å; V875-L898 HydrophobicContact CG1-CD1 3.66Å; V875-L898 HydrophobicContact CG2-CD1 4.36Å; F896-L898 CarbonylContact O-C 3.45Å; F896-L898 PolarHBondContact O-N 2.91Å; L898-F947 HydrophobicContact CD1-CE1 3.87Å; L898-F947 HydrophobicContact CD1-CZ 3.84Å |
| 899 | L | 98.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 123.8 | -169.9 | -178.7 | 75.9 | 0 | 0 | 0 | 112.7 | F844 L845 A870 F871 A872 I901 L928 I932 | F844-L899 CarbonylContact C-O 3.55Å; F844-L899 VanDerWaalsContact CA-O 3.31Å; F844-L899 WeakPolarHBondContact CA-O 3.47Å; L845-L899 HydrophobicContact CB-CB 4.45Å; L845-L899 HydrophobicContact CD1-CB 4.35Å; L845-L899 HydrophobicContact CD1-CD2 4.17Å; L845-L899 PolarHBondContact N-O 2.98Å; L845-L899 PolarHBondContact O-N 2.83Å; L845-L899 VanDerWaalsContact O-N 3.1Å; A870-L899 HydrophobicContact CB-CD1 4.2Å; F871-L899 CarbonylContact O-C 3.58Å; F871-L899 WeakPolarHBondContact O-CA 3.34Å; A872-L899 HydrophobicContact CB-CD1 4.17Å; L899-I901 HydrophobicContact CD2-CG2 4.16Å; L899-I901 HydrophobicContact CG-CG2 4.48Å; L899-L928 HydrophobicContact CD2-CD2 3.61Å; L899-L928 HydrophobicContact CD2-CG 4.36Å; L899-I932 HydrophobicContact CD1-CD1 4.1Å; L899-I932 HydrophobicContact CD2-CD1 3.58Å; L899-I932 HydrophobicContact CG-CD1 4.5Å |
| 900 | G | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V843 C864 A870 F871 | V843-G900 CarbonylContact O-C 3.58Å; V843-G900 VanDerWaalsContact O-CA 3.28Å; V843-G900 WeakPolarHBondContact O-CA 3.38Å; C864-G900 VanDerWaalsContact SG-C 3.51Å; A870-G900 CarbonylContact C-O 3.57Å; A870-G900 WeakPolarHBondContact CA-O 3.44Å; A870-G900 WeakPolarHBondContact CB-O 3.32Å; F871-G900 PolarHBondContact N-O 3.21Å; F871-G900 PolarHBondContact O-N 2.72Å |
| 901 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 149.1 | 178.3 | -174.2 | 165.4 | 0 | 0 | 0 | 109.8 | I842 V843 A870 L899 D905 L906 I909 I932 L937 | I842-I901 CarbonylContact C-O 3.34Å; I842-I901 WeakPolarHBondContact CA-O 3.2Å; V843-I901 HydrophobicContact CB-CG2 4.3Å; V843-I901 PolarHBondContact N-O 2.88Å; V843-I901 PolarHBondContact O-N 3.46Å; A870-I901 HydrophobicContact CB-CB 4.11Å; A870-I901 HydrophobicContact CB-CD1 4.25Å; A870-I901 HydrophobicContact CB-CG1 4.15Å; L899-I901 HydrophobicContact CD2-CG2 4.16Å; L899-I901 HydrophobicContact CG-CG2 4.48Å; I901-D905 HydrophobicContact CD1-CB 4.11Å; I901-D905 HydrophobicContact CG1-CB 3.8Å; I901-L906 HydrophobicContact CD1-CB 4.22Å; I901-L906 HydrophobicContact CG1-CB 4.33Å; I901-L906 HydrophobicContact CG2-CB 3.94Å; I901-L906 HydrophobicContact CG2-CD1 4.33Å; I901-L906 HydrophobicContact CG2-CD2 3.97Å; I901-L906 HydrophobicContact CG2-CG 4.31Å; I901-I909 HydrophobicContact CD1-CD1 4.22Å; I901-I932 HydrophobicContact CD1-CD1 4.34Å; I901-I932 HydrophobicContact CD1-CG1 4.1Å; I901-L937 HydrophobicContact CD1-CD1 4.17Å |
| 902 | Y | 98.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 148.4 | 173.9 | -82.6 | -97.8 | 0 | 0 | 0 | 111.2 | H840 S841 I842 C864 E866 S904 D905 L906 | H840-Y902 WeakPolarHBondContact O-CE1 3.36Å; S841-Y902 WeakPolarHBondContact O-CA 3.29Å; I842-Y902 HydrophobicContact CD1-CE1 4.47Å; I842-Y902 HydrophobicContact CD1-CE2 4.08Å; I842-Y902 HydrophobicContact CG1-CD1 4.11Å; I842-Y902 HydrophobicContact CG1-CD2 4.09Å; I842-Y902 HydrophobicContact CG1-CE1 3.84Å; I842-Y902 HydrophobicContact CG1-CE2 3.79Å; I842-Y902 HydrophobicContact CG1-CG 4.24Å; C864-Y902 HydrophobicContact CB-CD2 4.04Å; C864-Y902 HydrophobicContact CB-CE2 3.7Å; E866-Y902 HydrophobicContact CB-CD1 3.84Å; E866-Y902 HydrophobicContact CB-CD2 3.76Å; E866-Y902 HydrophobicContact CB-CE1 4.05Å; E866-Y902 HydrophobicContact CB-CE2 3.98Å; E866-Y902 HydrophobicContact CB-CG 3.69Å; E866-Y902 HydrophobicContact CG-CD1 4.06Å; E866-Y902 HydrophobicContact CG-CD2 4.48Å; E866-Y902 HydrophobicContact CG-CG 3.97Å; E866-Y902 VanDerWaalsContact N-CE2 3.3Å; Y902-S904 VanDerWaalsContact C-N 3.32Å; Y902-S904 PolarHBondContact O-N 3Å; Y902-D905 PolarHBondContact O-N 2.71Å; Y902-L906 WeakPolarHBondContact O-CB 3.45Å; Y902-L906 PolarHBondContact O-N 2.57Å |
| 903 | K | 98.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 6% | 0.057 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 179.2 | -179.8 | 64.9 | 170.3 | 77.5 | 0 | 111.3 | I833 I836 S841 V843 L906 D907 | I833-K903 HydrophobicContact CG2-CD 3.88Å; I833-K903 WeakPolarHBondContact O-CE 3.31Å; I836-K903 HydrophobicContact CB-CD 4.14Å; I836-K903 HydrophobicContact CG2-CB 4.38Å; I836-K903 HydrophobicContact CG2-CD 4.08Å; I836-K903 HydrophobicContact CG2-CG 4.02Å; I836-K903 WeakPolarHBondContact O-CE 3.48Å; S841-K903 PolarHBondContact O-N 2.98Å; V843-K903 HydrophobicContact CG2-CB 4.33Å; V843-K903 HydrophobicContact CG2-CD 4.01Å; K903-L906 PolarHBondContact O-N 3.06Å; K903-D907 IonicContact NZ-OD1 2.74Å; K903-D907 PolarHBondContact NZ-OD1 3.17Å; K903-D907 IonicContact NZ-OD2 3.65Å; K903-D907 PolarHBondContact NZ-OD2 3.03Å; K903-D907 WeakPolarHBondContact O-CB 3.49Å; K903-D907 VanDerWaalsContact O-CG 3.31Å; K903-D907 PolarHBondContact O-N 2.82Å |
| 904 | S | 98.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 25 Ų | 25 | 22% | 0.217 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | 172.5 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | D839 E866 Y902 A908 | D839-S904 WeakPolarHBondContact O-CB 3.33Å; D839-S904 PolarHBondContact O-N 3.17Å; D839-S904 PolarHBondContact O-OG 3.17Å; E866-S904 WeakPolarHBondContact CG-OG 3.23Å; E866-S904 WeakPolarHBondContact OE1-CB 3.26Å; E866-S904 PolarHBondContact OE1-OG 2.65Å; Y902-S904 VanDerWaalsContact C-N 3.32Å; Y902-S904 PolarHBondContact O-N 3Å; S904-A908 WeakPolarHBondContact O-CB 3.44Å; S904-A908 PolarHBondContact O-N 2.8Å |
| 905 | D | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 178.6 | -75.8 | -33.9 | 0 | 0 | 0 | 112.3 | E866 G867 I901 Y902 A908 I909 L937 | E866-D905 WeakPolarHBondContact CA-OD2 3.28Å; G867-D905 WeakPolarHBondContact CA-OD1 3.27Å; G867-D905 VanDerWaalsContact N-CG 3.32Å; G867-D905 PolarHBondContact N-OD1 3.36Å; G867-D905 PolarHBondContact N-OD2 2.84Å; I901-D905 HydrophobicContact CD1-CB 4.11Å; I901-D905 HydrophobicContact CG1-CB 3.8Å; Y902-D905 PolarHBondContact O-N 2.71Å; D905-A908 PolarHBondContact O-N 2.75Å; D905-I909 PolarHBondContact O-N 2.93Å; D905-L937 HydrophobicContact CB-CD1 3.95Å |
| 906 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 179.9 | -177.6 | 56.2 | 0 | 0 | 0 | 112.3 | I833 V843 I901 Y902 K903 I909 G910 G911 L928 | I833-L906 HydrophobicContact CD1-CD2 3.68Å; I833-L906 HydrophobicContact CG1-CD2 4.14Å; I833-L906 HydrophobicContact CG2-CD2 4.27Å; V843-L906 HydrophobicContact CB-CD2 4.21Å; V843-L906 HydrophobicContact CG1-CD2 4Å; V843-L906 HydrophobicContact CG2-CD2 4.18Å; I901-L906 HydrophobicContact CD1-CB 4.22Å; I901-L906 HydrophobicContact CG1-CB 4.33Å; I901-L906 HydrophobicContact CG2-CB 3.94Å; I901-L906 HydrophobicContact CG2-CD1 4.33Å; I901-L906 HydrophobicContact CG2-CD2 3.97Å; I901-L906 HydrophobicContact CG2-CG 4.31Å; Y902-L906 WeakPolarHBondContact O-CB 3.45Å; Y902-L906 PolarHBondContact O-N 2.57Å; K903-L906 PolarHBondContact O-N 3.06Å; L906-I909 HydrophobicContact CD1-CD1 4.2Å; L906-I909 HydrophobicContact CD1-CG1 4.34Å; L906-I909 VanDerWaalsContact O-CG1 3.25Å; L906-I909 WeakPolarHBondContact O-CG1 3.44Å; L906-G910 PolarHBondContact O-N 3.02Å; L906-G911 PolarHBondContact O-N 2.85Å; L906-L928 HydrophobicContact CD1-CD1 4.03Å |
| 907 | D | 97.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68 | -38.7 | 174.3 | -71.9 | -8.2 | 0 | 0 | 0 | 111.4 | K903 I909 G910 | K903-D907 IonicContact NZ-OD1 2.74Å; K903-D907 PolarHBondContact NZ-OD1 3.17Å; K903-D907 IonicContact NZ-OD2 3.65Å; K903-D907 PolarHBondContact NZ-OD2 3.03Å; K903-D907 WeakPolarHBondContact O-CB 3.49Å; K903-D907 VanDerWaalsContact O-CG 3.31Å; K903-D907 PolarHBondContact O-N 2.82Å; D907-I909 VanDerWaalsContact C-N 3.26Å; D907-I909 PolarHBondContact O-N 3.27Å; D907-G910 PolarHBondContact O-N 3.03Å |
| 908 | A | 97.2 | Very high | 95 | Very high | 88 Ų | 88 | 41.4 Ų | 41.4 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.3 | -30.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S904 D905 | S904-A908 WeakPolarHBondContact O-CB 3.44Å; S904-A908 PolarHBondContact O-N 2.8Å; D905-A908 PolarHBondContact O-N 2.75Å |
| 909 | I | 95.7 | Very high | 93.9 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.9 | 173 | 67.6 | 173.8 | 0 | 0 | 0 | 113.9 | I901 D905 L906 D907 L928 R931 I932 | I901-I909 HydrophobicContact CD1-CD1 4.22Å; D905-I909 PolarHBondContact O-N 2.93Å; L906-I909 HydrophobicContact CD1-CD1 4.2Å; L906-I909 HydrophobicContact CD1-CG1 4.34Å; L906-I909 VanDerWaalsContact O-CG1 3.25Å; L906-I909 WeakPolarHBondContact O-CG1 3.44Å; D907-I909 VanDerWaalsContact C-N 3.26Å; D907-I909 PolarHBondContact O-N 3.27Å; I909-L928 HydrophobicContact CD1-CD1 3.85Å; I909-R931 HydrophobicContact CB-CB 4.4Å; I909-R931 PolarHBondContact O-NH1 2.99Å; I909-I932 HydrophobicContact CD1-CB 4.29Å; I909-I932 HydrophobicContact CD1-CD1 4.49Å; I909-I932 HydrophobicContact CD1-CG1 3.37Å |
| 910 | G | 95.3 | Very high | 92.8 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 62% | 0.619 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 18.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L906 D907 | L906-G910 PolarHBondContact O-N 3.02Å; D907-G910 PolarHBondContact O-N 3.03Å |
| 911 | G | 95.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 69.5 | -148.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L906 R931 | L906-G911 PolarHBondContact O-N 2.85Å; G911-R931 PolarHBondContact O-NH1 3.34Å; G911-R931 PolarHBondContact O-NH2 3.26Å |
| 912 | M | 95.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | trans | -86.2 | 138.9 | 178.1 | -59.1 | -60.1 | -64 | 0 | 0 | 111.9 | L829 Q830 I833 L845 T914 E924 L928 | L829-M912 HydrophobicContact CB-CG 4.23Å; L829-M912 HydrophobicContact CD1-CE 3.95Å; Q830-M912 HydrophobicContact CB-CB 4.2Å; Q830-M912 HydrophobicContact CB-CG 4.38Å; I833-M912 HydrophobicContact CD1-CG 3.77Å; I833-M912 HydrophobicContact CD1-SD 4.48Å; L845-M912 HydrophobicContact CD1-CE 4.43Å; L845-M912 HydrophobicContact CD1-SD 3.75Å; M912-T914 VanDerWaalsContact C-N 3.29Å; M912-T914 HydrophobicContact CB-CG2 4.25Å; M912-T914 PolarHBondContact O-N 2.74Å; M912-E924 HydrophobicContact CE-CG 4.31Å; M912-L928 HydrophobicContact CE-CD2 4.44Å; M912-L928 HydrophobicContact SD-CD2 3.86Å | ||
| 913 | N | 93.9 | Very high | 90.4 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | trans | -76.8 | 77.7 | 172.9 | -178.9 | -7 | 0 | 0 | 0 | 111.3 | R915 E916 F917 E927 | N913-R915 PolarHBondContact O-N 3.06Å; N913-R915 PolarHBondContact OD1-N 3.01Å; N913-E916 PolarHBondContact ND2-OE2 2.99Å; N913-E916 VanDerWaalsContact ND2-OE2 3.07Å; N913-E916 WeakPolarHBondContact OD1-CB 3.38Å; N913-E916 PolarHBondContact OD1-N 2.92Å; N913-F917 HydrophobicContact CB-CD2 4Å; N913-F917 HydrophobicContact CB-CE2 4.28Å; N913-F917 PolarHBondContact O-N 2.8Å; N913-E927 WeakPolarHBondContact CB-OE2 3.17Å; N913-E927 PolarHBondContact ND2-OE1 3.46Å; N913-E927 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 914 | T | 91.8 | Very high | 90 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.6 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | A827 Q830 M912 | A827-T914 HydrophobicContact CB-CG2 4.17Å; Q830-T914 HydrophobicContact CB-CG2 3.7Å; Q830-T914 HydrophobicContact CG-CG2 4.17Å; M912-T914 VanDerWaalsContact C-N 3.29Å; M912-T914 HydrophobicContact CB-CG2 4.25Å; M912-T914 PolarHBondContact O-N 2.74Å |
| 915 | R | 90 | Very high | 89.8 | Confident | 208 Ų | 208 | 59.4 Ų | 59.4 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -36.9 | -175.1 | -66.5 | -177.1 | 179.2 | -179.8 | 1.8 | 112.2 | N913 R918 | N913-R915 PolarHBondContact O-N 3.06Å; N913-R915 PolarHBondContact OD1-N 3.01Å; R915-R918 PolarHBondContact O-NE 2.93Å; R915-R918 PolarHBondContact O-NH2 2.87Å |
| 916 | E | 87.3 | Confident | 89.6 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -52.1 | -177.8 | -173.8 | 175.5 | 171.3 | 0 | 0 | 111.6 | R259 N913 R918 | R259-E916 IonicContact CZ-OE1 3.52Å; R259-E916 IonicContact NH1-OE1 3.58Å; R259-E916 PolarHBondContact NH1-OE1 3.32Å; R259-E916 IonicContact NH2-OE1 3.55Å; R259-E916 PolarHBondContact NH2-OE1 2.99Å; N913-E916 PolarHBondContact ND2-OE2 2.99Å; N913-E916 VanDerWaalsContact ND2-OE2 3.07Å; N913-E916 WeakPolarHBondContact OD1-CB 3.38Å; N913-E916 PolarHBondContact OD1-N 2.92Å; E916-R918 PolarHBondContact O-N 3.35Å |
| 917 | F | 87.1 | Confident | 89.4 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 6% | 0.057 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -88.9 | 91.6 | -175.6 | -58.3 | -83.3 | 0 | 0 | 0 | 110.7 | S826 N913 G923 E924 E927 | S826-F917 WeakPolarHBondContact CB-O 3.45Å; S826-F917 WeakPolarHBondContact OG-CB 3.45Å; N913-F917 HydrophobicContact CB-CD2 4Å; N913-F917 HydrophobicContact CB-CE2 4.28Å; N913-F917 PolarHBondContact O-N 2.8Å; F917-G923 VanDerWaalsContact CZ-O 3.31Å; F917-G923 WeakPolarHBondContact CZ-O 3.4Å; F917-E924 HydrophobicContact CB-CB 3.8Å; F917-E924 HydrophobicContact CD1-CB 3.74Å; F917-E924 HydrophobicContact CD2-CB 3.83Å; F917-E924 HydrophobicContact CE1-CB 4.25Å; F917-E924 VanDerWaalsContact CE1-N 3.35Å; F917-E924 HydrophobicContact CE2-CB 4.33Å; F917-E924 HydrophobicContact CG-CB 3.5Å; F917-E927 HydrophobicContact CE2-CB 3.79Å; F917-E927 HydrophobicContact CE2-CG 3.92Å; F917-E927 HydrophobicContact CZ-CB 3.88Å; F917-E927 HydrophobicContact CZ-CG 4.35Å |
| 918 | R | 84.5 | Confident | 89.3 | Confident | 134 Ų | 134 | 60.6 Ų | 60.6 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -110.8 | -108.9 | -177.1 | -61.4 | -169.5 | -151.7 | -172 | 3.9 | 112.2 | E824 R915 E916 R920 | E824-R918 WeakPolarHBondContact CA-O 3.5Å; E824-R918 HydrophobicContact CG-CB 4.19Å; R915-R918 PolarHBondContact O-NE 2.93Å; R915-R918 PolarHBondContact O-NH2 2.87Å; E916-R918 PolarHBondContact O-N 3.35Å; R918-R920 PolarHBondContact O-N 2.62Å; R918-R920 VanDerWaalsContact O-N 3.13Å |
| 919 | E | 72.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -75.2 | 11 | -178.5 | -50 | -177.1 | 132.3 | 0 | 0 | 114 | N822 R960 | N822-E919 HydrophobicContact CB-CG 4.47Å; N822-E919 PolarHBondContact ND2-OE1 3.36Å; E919-R960 IonicContact OE2-CZ 2.97Å; E919-R960 IonicContact OE2-NE 3.62Å; E919-R960 PolarHBondContact OE2-NE 2.92Å; E919-R960 IonicContact OE2-NH2 3.27Å; E919-R960 PolarHBondContact OE2-NH2 3Å |
| 920 | R | 75 | Confident | 89.3 | Confident | 206 Ų | 206 | 55.7 Ų | 55.7 | 78% | 0.777 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -116.8 | 147.2 | -177.3 | -68.9 | -171.8 | 179.4 | -166 | -1.8 | 110.6 | R918 | R918-R920 PolarHBondContact O-N 2.62Å; R918-R920 VanDerWaalsContact O-N 3.13Å |
| 921 | W | 74.8 | Confident | 89.3 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 42% | 0.42 | 24% | 0.239 | S | C | . | . | trans | -87.9 | 139.4 | 176.4 | -178.9 | 72.7 | 0 | 0 | 0 | 111.3 | D357 K954 W958 | D357-W921 VanDerWaalsContact OD2-CH2 3.32Å; D357-W921 WeakPolarHBondContact OD2-CH2 3.29Å; W921-K954 VanDerWaalsContact CH2-NZ 3.29Å; W921-W958 HydrophobicContact CB-CD2 4.35Å; W921-W958 HydrophobicContact CB-CZ2 4.01Å; W921-W958 AromaticContact CD1-CZ2 3.75Å; W921-W958 AromaticContact CD1-NE1 3.88Å; W921-W958 HydrophobicContact CG-CZ2 4.3Å | ||
| 922 | G | 82.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 94.1 | 148.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E924 | G922-E924 VanDerWaalsContact C-N 3.33Å; G922-E924 VanDerWaalsContact C-OE2 3.29Å; G922-E924 WeakPolarHBondContact CA-OE2 3.38Å; G922-E924 PolarHBondContact N-OE2 3.39Å; G922-E924 PolarHBondContact O-N 3.24Å |
| 923 | G | 87.1 | Confident | 89.3 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 86.2 | -8.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y260 F917 D925 E927 | Y260-G923 WeakPolarHBondContact CE1-O 3.46Å; F917-G923 VanDerWaalsContact CZ-O 3.31Å; F917-G923 WeakPolarHBondContact CZ-O 3.4Å; G923-D925 VanDerWaalsContact C-N 3.25Å; G923-D925 PolarHBondContact O-N 3.28Å; G923-E927 WeakPolarHBondContact O-CB 3.34Å; G923-E927 PolarHBondContact O-N 3.05Å |
| 924 | E | 92.2 | Very high | 89.3 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -28.8 | 175.3 | 79.4 | -79.9 | -166.5 | 0 | 0 | 112 | R825 S826 M912 F917 G922 L928 | R825-E924 WeakPolarHBondContact CD-OE1 3.48Å; R825-E924 IonicContact CZ-OE1 3.87Å; R825-E924 IonicContact NE-OE1 3.81Å; R825-E924 IonicContact NH1-OE1 3.77Å; R825-E924 PolarHBondContact NH1-OE1 3.31Å; S826-E924 WeakPolarHBondContact OG-CB 3.42Å; S826-E924 WeakPolarHBondContact OG-CG 3.45Å; M912-E924 HydrophobicContact CE-CG 4.31Å; F917-E924 HydrophobicContact CB-CB 3.8Å; F917-E924 HydrophobicContact CD1-CB 3.74Å; F917-E924 HydrophobicContact CD2-CB 3.83Å; F917-E924 HydrophobicContact CE1-CB 4.25Å; F917-E924 VanDerWaalsContact CE1-N 3.35Å; F917-E924 HydrophobicContact CE2-CB 4.33Å; F917-E924 HydrophobicContact CG-CB 3.5Å; G922-E924 VanDerWaalsContact C-N 3.33Å; G922-E924 VanDerWaalsContact C-OE2 3.29Å; G922-E924 WeakPolarHBondContact CA-OE2 3.38Å; G922-E924 PolarHBondContact N-OE2 3.39Å; G922-E924 PolarHBondContact O-N 3.24Å; E924-L928 VanDerWaalsContact O-CB 3.27Å; E924-L928 WeakPolarHBondContact O-CB 3.15Å; E924-L928 PolarHBondContact O-N 3.33Å |
| 925 | D | 92.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.7 | -36.3 | 179.4 | 64.8 | -26.8 | 0 | 0 | 0 | 112.3 | F896 G897 G923 L929 | F896-D925 WeakPolarHBondContact CA-OD2 3.17Å; F896-D925 HydrophobicContact CB-CB 3.86Å; F896-D925 PolarHBondContact N-OD2 2.63Å; G897-D925 VanDerWaalsContact N-CB 3.3Å; G897-D925 PolarHBondContact N-OD2 3.16Å; G923-D925 VanDerWaalsContact C-N 3.25Å; G923-D925 PolarHBondContact O-N 3.28Å; D925-L929 WeakPolarHBondContact O-CB 3.22Å; D925-L929 PolarHBondContact O-N 2.84Å |
| 926 | W | 94.2 | Very high | 89.6 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.7 | -35.1 | 170.8 | -65.1 | 2.2 | 0 | 0 | 0 | 112.2 | Y260 L263 N894 F896 L929 D930 | Y260-W926 HydrophobicContact CD1-CB 3.38Å; Y260-W926 HydrophobicContact CD1-CE3 4.22Å; Y260-W926 HydrophobicContact CD1-CG 4.45Å; Y260-W926 AromaticContact CD2-CE3 3.6Å; Y260-W926 HydrophobicContact CD2-CE3 3.6Å; Y260-W926 HydrophobicContact CD2-CZ3 4.15Å; Y260-W926 HydrophobicContact CE1-CB 3.86Å; Y260-W926 HydrophobicContact CE2-CE3 4.03Å; Y260-W926 HydrophobicContact CG-CB 3.92Å; Y260-W926 HydrophobicContact CG-CD2 4.46Å; Y260-W926 AromaticContact CG-CE3 3.68Å; Y260-W926 HydrophobicContact CG-CE3 3.68Å; L263-W926 HydrophobicContact CD1-CD2 3.79Å; L263-W926 HydrophobicContact CD1-CE3 3.9Å; L263-W926 HydrophobicContact CD1-CG 4.33Å; L263-W926 HydrophobicContact CD1-CH2 4.19Å; L263-W926 HydrophobicContact CD1-CZ2 4.1Å; L263-W926 HydrophobicContact CD1-CZ3 4.1Å; L263-W926 HydrophobicContact CD2-CD2 4.39Å; L263-W926 HydrophobicContact CD2-CG 4.27Å; L263-W926 HydrophobicContact CG-CD2 4.45Å; N894-W926 HydrophobicContact CB-CZ2 4.47Å; N894-W926 PolarHBondContact O-NE1 3.04Å; F896-W926 AromaticContact CD2-CD1 3.94Å; W926-L929 WeakPolarHBondContact O-CB 3.22Å; W926-L929 PolarHBondContact O-N 3.5Å; W926-D930 PolarHBondContact O-N 3.14Å; W926-D930 VanDerWaalsContact O-N 3.14Å |
| 927 | E | 95.4 | Very high | 90 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 172.5 | -174.5 | -89 | 177 | 0 | 0 | 112.2 | Y260 N913 F917 G923 L929 D930 R931 | Y260-E927 HydrophobicContact CE1-CB 4.4Å; N913-E927 WeakPolarHBondContact CB-OE2 3.17Å; N913-E927 PolarHBondContact ND2-OE1 3.46Å; N913-E927 VanDerWaalsContact ND2-OE1 3.15Å; F917-E927 HydrophobicContact CE2-CB 3.79Å; F917-E927 HydrophobicContact CE2-CG 3.92Å; F917-E927 HydrophobicContact CZ-CB 3.88Å; F917-E927 HydrophobicContact CZ-CG 4.35Å; G923-E927 WeakPolarHBondContact O-CB 3.34Å; G923-E927 PolarHBondContact O-N 3.05Å; E927-L929 VanDerWaalsContact C-N 3.34Å; E927-D930 PolarHBondContact O-N 3.12Å; E927-R931 VanDerWaalsContact CD-NE 3.31Å; E927-R931 PolarHBondContact O-N 3.36Å; E927-R931 IonicContact OE1-CZ 2.8Å; E927-R931 IonicContact OE1-NE 3.64Å; E927-R931 PolarHBondContact OE1-NE 2.86Å; E927-R931 IonicContact OE1-NH2 2.73Å; E927-R931 IonicContact OE2-CZ 3.06Å; E927-R931 IonicContact OE2-NE 3.9Å; E927-R931 PolarHBondContact OE2-NE 2.72Å; E927-R931 IonicContact OE2-NH2 2.63Å; E927-R931 PolarHBondContact OE2-NH2 2.76Å |
| 928 | L | 95.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 173.2 | -177.8 | 63.8 | 0 | 0 | 0 | 111.2 | L845 L899 L906 I909 M912 E924 D930 R931 I932 | L845-L928 HydrophobicContact CD1-CD2 3.88Å; L899-L928 HydrophobicContact CD2-CD2 3.61Å; L899-L928 HydrophobicContact CD2-CG 4.36Å; L906-L928 HydrophobicContact CD1-CD1 4.03Å; I909-L928 HydrophobicContact CD1-CD1 3.85Å; M912-L928 HydrophobicContact CE-CD2 4.44Å; M912-L928 HydrophobicContact SD-CD2 3.86Å; E924-L928 VanDerWaalsContact O-CB 3.27Å; E924-L928 WeakPolarHBondContact O-CB 3.15Å; E924-L928 PolarHBondContact O-N 3.33Å; L928-D930 PolarHBondContact O-N 2.85Å; L928-R931 PolarHBondContact O-N 2.89Å; L928-R931 VanDerWaalsContact O-N 3.15Å; L928-I932 HydrophobicContact CG-CD1 3.94Å; L928-I932 HydrophobicContact CG-CG1 4.38Å; L928-I932 VanDerWaalsContact O-CG1 3.29Å; L928-I932 WeakPolarHBondContact O-CG1 3.26Å; L928-I932 PolarHBondContact O-N 2.83Å |
| 929 | L | 95.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 174.2 | 174 | 64.8 | 0 | 0 | 0 | 112.3 | L263 V266 F896 D925 W926 E927 R931 I932 L933 V939 | L263-L929 HydrophobicContact CD2-CD2 3.83Å; L263-L929 HydrophobicContact CG-CD2 4.31Å; V266-L929 HydrophobicContact CG2-CD1 3.77Å; V266-L929 HydrophobicContact CG2-CD2 4.06Å; V266-L929 HydrophobicContact CG2-CG 4.43Å; F896-L929 HydrophobicContact CD1-CB 4.39Å; F896-L929 HydrophobicContact CD1-CD1 3.91Å; F896-L929 HydrophobicContact CD1-CD2 3.82Å; F896-L929 HydrophobicContact CD1-CG 4.25Å; F896-L929 HydrophobicContact CD2-CD2 4.28Å; F896-L929 HydrophobicContact CE1-CD1 3.72Å; F896-L929 HydrophobicContact CE1-CD2 3.52Å; F896-L929 HydrophobicContact CE1-CG 4.18Å; F896-L929 HydrophobicContact CE2-CD2 4.06Å; F896-L929 HydrophobicContact CG-CD2 4.18Å; F896-L929 HydrophobicContact CZ-CD2 3.66Å; D925-L929 WeakPolarHBondContact O-CB 3.22Å; D925-L929 PolarHBondContact O-N 2.84Å; W926-L929 WeakPolarHBondContact O-CB 3.22Å; W926-L929 PolarHBondContact O-N 3.5Å; E927-L929 VanDerWaalsContact C-N 3.34Å; L929-R931 VanDerWaalsContact C-N 3.26Å; L929-R931 PolarHBondContact O-N 3.03Å; L929-I932 PolarHBondContact O-N 2.74Å; L929-L933 HydrophobicContact CD1-CD1 3.82Å; L929-L933 HydrophobicContact CD1-CG 4.1Å; L929-L933 HydrophobicContact CG-CD1 3.98Å; L929-L933 WeakPolarHBondContact O-CG 3.24Å; L929-L933 PolarHBondContact O-N 3.23Å; L929-V939 HydrophobicContact CD1-CB 4.35Å; L929-V939 HydrophobicContact CD1-CG1 4.47Å; L929-V939 HydrophobicContact CD1-CG2 3.75Å |
| 930 | D | 95.2 | Very high | 92 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.4 | -44.6 | 175.7 | -67.6 | -33.2 | 0 | 0 | 0 | 110.6 | L257 Y260 Q261 G262 W926 E927 L928 Q934 | L257-D930 HydrophobicContact CD1-CB 4.47Å; Y260-D930 WeakPolarHBondContact CA-OD2 3.14Å; Y260-D930 PolarHBondContact N-OD2 2.88Å; Q261-D930 PolarHBondContact N-OD1 2.86Å; G262-D930 WeakPolarHBondContact CA-OD1 3.31Å; G262-D930 PolarHBondContact N-OD1 2.9Å; W926-D930 PolarHBondContact O-N 3.14Å; W926-D930 VanDerWaalsContact O-N 3.14Å; E927-D930 PolarHBondContact O-N 3.12Å; L928-D930 PolarHBondContact O-N 2.85Å; D930-Q934 WeakPolarHBondContact O-CB 3.06Å; D930-Q934 WeakPolarHBondContact O-CG 3.5Å; D930-Q934 PolarHBondContact O-N 3.21Å |
| 931 | R | 95.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 16% | 0.158 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.3 | -36.9 | -179 | -70.1 | -169.9 | -73.2 | 105.4 | 4.9 | 113.7 | I909 G911 E927 L928 L929 Q934 G935 | I909-R931 HydrophobicContact CB-CB 4.4Å; I909-R931 PolarHBondContact O-NH1 2.99Å; G911-R931 PolarHBondContact O-NH1 3.34Å; G911-R931 PolarHBondContact O-NH2 3.26Å; E927-R931 VanDerWaalsContact CD-NE 3.31Å; E927-R931 PolarHBondContact O-N 3.36Å; E927-R931 IonicContact OE1-CZ 2.8Å; E927-R931 IonicContact OE1-NE 3.64Å; E927-R931 PolarHBondContact OE1-NE 2.86Å; E927-R931 IonicContact OE1-NH2 2.73Å; E927-R931 IonicContact OE2-CZ 3.06Å; E927-R931 IonicContact OE2-NE 3.9Å; E927-R931 PolarHBondContact OE2-NE 2.72Å; E927-R931 IonicContact OE2-NH2 2.63Å; E927-R931 PolarHBondContact OE2-NH2 2.76Å; L928-R931 PolarHBondContact O-N 2.89Å; L928-R931 VanDerWaalsContact O-N 3.15Å; L929-R931 VanDerWaalsContact C-N 3.26Å; L929-R931 PolarHBondContact O-N 3.03Å; R931-Q934 PolarHBondContact O-N 2.74Å; R931-G935 PolarHBondContact O-N 3.34Å |
| 932 | I | 96.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.2 | -49.9 | 172.9 | -69.6 | 165.5 | 0 | 0 | 0 | 110 | A870 L899 I901 I909 L928 L929 G935 L937 V939 | A870-I932 HydrophobicContact CB-CG2 4.29Å; L899-I932 HydrophobicContact CD1-CD1 4.1Å; L899-I932 HydrophobicContact CD2-CD1 3.58Å; L899-I932 HydrophobicContact CG-CD1 4.5Å; I901-I932 HydrophobicContact CD1-CD1 4.34Å; I901-I932 HydrophobicContact CD1-CG1 4.1Å; I909-I932 HydrophobicContact CD1-CB 4.29Å; I909-I932 HydrophobicContact CD1-CD1 4.49Å; I909-I932 HydrophobicContact CD1-CG1 3.37Å; L928-I932 HydrophobicContact CG-CD1 3.94Å; L928-I932 HydrophobicContact CG-CG1 4.38Å; L928-I932 VanDerWaalsContact O-CG1 3.29Å; L928-I932 WeakPolarHBondContact O-CG1 3.26Å; L928-I932 PolarHBondContact O-N 2.83Å; L929-I932 PolarHBondContact O-N 2.74Å; I932-G935 PolarHBondContact O-N 3.49Å; I932-L937 HydrophobicContact CG2-CB 3.8Å; I932-L937 HydrophobicContact CG2-CD1 4.13Å; I932-L937 WeakPolarHBondContact O-CB 3.19Å; I932-L937 PolarHBondContact O-N 3.4Å; I932-V939 HydrophobicContact CG2-CG2 3.63Å |
| 933 | L | 95.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | -179.1 | -68.6 | 168.5 | 0 | 0 | 0 | 111.7 | I252 L257 G262 F265 V266 L929 G935 G936 V939 | I252-L933 CarbonylContact C-O 3.47Å; L257-L933 HydrophobicContact CD1-CB 4.06Å; L257-L933 HydrophobicContact CD1-CD1 4.39Å; G262-L933 VanDerWaalsContact CA-CD1 3.42Å; G262-L933 WeakPolarHBondContact O-CD1 3.26Å; F265-L933 HydrophobicContact CB-CD1 4.3Å; V266-L933 HydrophobicContact CG2-CD1 4.32Å; L929-L933 HydrophobicContact CD1-CD1 3.82Å; L929-L933 HydrophobicContact CD1-CG 4.1Å; L929-L933 HydrophobicContact CG-CD1 3.98Å; L929-L933 WeakPolarHBondContact O-CG 3.24Å; L929-L933 PolarHBondContact O-N 3.23Å; L933-G935 VanDerWaalsContact C-N 3.28Å; L933-G935 PolarHBondContact O-N 3.16Å; L933-G936 WeakPolarHBondContact O-CA 3.03Å; L933-G936 PolarHBondContact O-N 2.91Å; L933-V939 HydrophobicContact CD2-CG2 4.31Å |
| 934 | Q | 94.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 17.8 Ų | 17.8 | 29% | 0.29 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -59.6 | -34.4 | 175 | -76.2 | 175.4 | 40 | 0 | 0 | 113.4 | I252 D254 Y255 L257 D930 R931 G936 | I252-Q934 WeakPolarHBondContact O-CA 3.26Å; D254-Q934 PolarHBondContact N-O 2.86Å; Y255-Q934 WeakPolarHBondContact O-CG 3.23Å; L257-Q934 HydrophobicContact CB-CG 4.43Å; L257-Q934 HydrophobicContact CD1-CG 4.26Å; L257-Q934 HydrophobicContact CG-CG 4.08Å; D930-Q934 WeakPolarHBondContact O-CB 3.06Å; D930-Q934 WeakPolarHBondContact O-CG 3.5Å; D930-Q934 PolarHBondContact O-N 3.21Å; R931-Q934 PolarHBondContact O-N 2.74Å; Q934-G936 PolarHBondContact O-N 3.33Å |
| 935 | G | 94.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 18 Ų | 18 | 37% | 0.371 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R931 I932 L933 | R931-G935 PolarHBondContact O-N 3.34Å; I932-G935 PolarHBondContact O-N 3.49Å; L933-G935 VanDerWaalsContact C-N 3.28Å; L933-G935 PolarHBondContact O-N 3.16Å |
| 936 | G | 94.4 | Very high | 95 | Very high | 16 Ų | 16 | 18.6 Ų | 18.6 | 17% | 0.165 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 10.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | L933 Q934 | L933-G936 WeakPolarHBondContact O-CA 3.03Å; L933-G936 PolarHBondContact O-N 2.91Å; Q934-G936 PolarHBondContact O-N 3.33Å |
| 937 | L | 95.6 | Very high | 95 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | trans | -81.3 | 145.8 | 178.8 | -60.1 | 169.8 | 0 | 0 | 0 | 111.2 | I901 D905 I932 | I901-L937 HydrophobicContact CD1-CD1 4.17Å; D905-L937 HydrophobicContact CB-CD1 3.95Å; I932-L937 HydrophobicContact CG2-CB 3.8Å; I932-L937 HydrophobicContact CG2-CD1 4.13Å; I932-L937 WeakPolarHBondContact O-CB 3.19Å; I932-L937 PolarHBondContact O-N 3.4Å | ||
| 938 | E | 94.5 | Very high | 95 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 3% | 0.028 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 150.9 | 165.8 | -64.9 | -177.5 | -145.4 | 0 | 0 | 111.2 | Y246 Y250 T251 R696 Y868 M869 A870 | Y246-E938 WeakPolarHBondContact CE1-OE1 3.5Å; Y246-E938 PolarHBondContact OH-OE1 3.17Å; Y250-E938 HydrophobicContact CE2-CG 3.85Å; T251-E938 HydrophobicContact CG2-CG 4.13Å; R696-E938 IonicContact CZ-OE2 3.17Å; R696-E938 IonicContact NE-OE2 2.68Å; R696-E938 PolarHBondContact NE-OE2 3.13Å; R696-E938 IonicContact NH2-OE2 2.74Å; R696-E938 PolarHBondContact NH2-OE2 3.16Å; Y868-E938 PolarHBondContact O-N 3.1Å; M869-E938 WeakPolarHBondContact CA-O 3.33Å; M869-E938 HydrophobicContact CB-CB 4.09Å; M869-E938 HydrophobicContact CG-CB 3.98Å; A870-E938 PolarHBondContact N-O 2.72Å |
| 939 | V | 95.7 | Very high | 95 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111.7 | 163.4 | -177.4 | 0 | 0 | 0 | 0 | 109 | V266 R688 A870 A872 F896 L929 I932 L933 R941 | V266-V939 HydrophobicContact CG1-CB 4.38Å; V266-V939 HydrophobicContact CG1-CG1 4.43Å; R688-V939 PolarHBondContact NH2-O 2.96Å; A870-V939 WeakPolarHBondContact O-CA 3.12Å; A872-V939 HydrophobicContact CB-CG1 3.79Å; F896-V939 HydrophobicContact CE1-CG1 4.29Å; L929-V939 HydrophobicContact CD1-CB 4.35Å; L929-V939 HydrophobicContact CD1-CG1 4.47Å; L929-V939 HydrophobicContact CD1-CG2 3.75Å; I932-V939 HydrophobicContact CG2-CG2 3.63Å; L933-V939 HydrophobicContact CD2-CG2 4.31Å; V939-R941 HydrophobicContact CG1-CG 4.25Å |
| 940 | E | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121 | 173.6 | -171.9 | 89.6 | -95 | 0 | 0 | 108.8 | S269 R688 R696 H863 M869 A870 F871 A872 I942 | S269-E940 WeakPolarHBondContact CB-OE1 3.49Å; S269-E940 PolarHBondContact OG-OE1 2.82Å; R688-E940 IonicContact NH1-OE1 3.51Å; R696-E940 IonicContact CZ-OE2 3.65Å; R696-E940 IonicContact NH1-OE2 2.75Å; R696-E940 PolarHBondContact NH1-OE2 3.17Å; R696-E940 IonicContact NH2-OE1 3.26Å; R696-E940 IonicContact NH2-OE2 2.87Å; R696-E940 PolarHBondContact NH2-OE2 3.06Å; R696-E940 VanDerWaalsContact NH2-OE2 3.1Å; H863-E940 HydrophobicContact CB-CG 4.44Å; H863-E940 IonicContact ND1-OE2 3.23Å; M869-E940 HydrophobicContact CG-CB 4.18Å; M869-E940 HydrophobicContact SD-CB 3.83Å; M869-E940 HydrophobicContact SD-CG 4.35Å; A870-E940 PolarHBondContact O-N 2.94Å; F871-E940 HydrophobicContact CD2-CB 4.25Å; F871-E940 HydrophobicContact CD2-CG 4.33Å; F871-E940 WeakPolarHBondContact CD2-O 3.49Å; A872-E940 PolarHBondContact N-O 2.84Å; E940-I942 HydrophobicContact CG-CD1 3.97Å; E940-I942 HydrophobicContact CG-CG1 4.22Å |
| 941 | R | 94.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -117.6 | 123.3 | 173.3 | -71.1 | -172.9 | 69.3 | 89.4 | -20.6 | 110 | V266 L268 I641 A872 I874 V893 G895 F896 V939 | V266-R941 HydrophobicContact CG1-CG 3.92Å; L268-R941 HydrophobicContact CD2-CB 4.18Å; I641-R941 HydrophobicContact CD1-CB 4.45Å; I641-R941 HydrophobicContact CD1-CG 4.5Å; A872-R941 HydrophobicContact CB-CG 4.06Å; A872-R941 WeakPolarHBondContact O-CG 3.47Å; I874-R941 HydrophobicContact CD1-CB 4.13Å; I874-R941 HydrophobicContact CG1-CB 4.36Å; V893-R941 PolarHBondContact O-NH2 2.77Å; G895-R941 PolarHBondContact O-NH1 2.96Å; G895-R941 PolarHBondContact O-NH2 2.76Å; F896-R941 HydrophobicContact CE1-CG 4.48Å; V939-R941 HydrophobicContact CG1-CG 4.25Å | ||
| 942 | I | 94.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | trans | -137.3 | 134.9 | -178.5 | -65.3 | 173.9 | 0 | 0 | 0 | 107.3 | I271 N650 V686 H863 F871 I874 E940 L944 | I271-I942 HydrophobicContact CD1-CG2 3.89Å; N650-I942 WeakPolarHBondContact OD1-CA 3.32Å; V686-I942 HydrophobicContact CG1-CD1 4.05Å; V686-I942 HydrophobicContact CG2-CD1 4.45Å; H863-I942 WeakPolarHBondContact CE1-CD1 3.18Å; F871-I942 HydrophobicContact CE2-CB 4.25Å; F871-I942 HydrophobicContact CE2-CD1 4.48Å; I874-I942 PolarHBondContact N-O 2.8Å; E940-I942 HydrophobicContact CG-CD1 3.97Å; E940-I942 HydrophobicContact CG-CG1 4.22Å; I942-L944 HydrophobicContact CG2-CD2 4.13Å; I942-L944 PolarHBondContact O-N 2.96Å | ||
| 943 | Y | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.7 | 171.8 | -59.4 | -102.8 | 0 | 0 | 0 | 108.7 | L268 R637 G649 N650 I874 W891 V893 | L268-Y943 HydrophobicContact CD1-CE2 4.21Å; L268-Y943 HydrophobicContact CD2-CE2 4.1Å; R637-Y943 PolarHBondContact NH2-OH 3.18Å; G649-Y943 WeakPolarHBondContact O-CD2 3.43Å; G649-Y943 WeakPolarHBondContact O-CE2 3.44Å; N650-Y943 HydrophobicContact CB-CD2 4.41Å; N650-Y943 PolarHBondContact ND2-N 3.26Å; N650-Y943 PolarHBondContact ND2-O 3.16Å; N650-Y943 WeakPolarHBondContact OD1-CD2 3.41Å; N650-Y943 PolarHBondContact OD1-N 3.01Å; I874-Y943 HydrophobicContact CB-CD1 3.9Å; I874-Y943 HydrophobicContact CB-CE1 4.35Å; I874-Y943 HydrophobicContact CB-CG 4.14Å; I874-Y943 HydrophobicContact CD1-CD1 4.1Å; I874-Y943 HydrophobicContact CD1-CD2 3.92Å; I874-Y943 HydrophobicContact CD1-CE1 3.89Å; I874-Y943 HydrophobicContact CD1-CE2 3.68Å; I874-Y943 HydrophobicContact CD1-CG 4.14Å; I874-Y943 HydrophobicContact CG2-CD1 3.46Å; I874-Y943 VanDerWaalsContact CG2-CD1 3.46Å; I874-Y943 HydrophobicContact CG2-CE1 3.68Å; I874-Y943 HydrophobicContact CG2-CG 4.21Å; W891-Y943 HydrophobicContact CB-CD1 3.8Å; W891-Y943 HydrophobicContact CB-CE1 3.62Å; W891-Y943 AromaticContact CD1-CD1 3.82Å; W891-Y943 AromaticContact CD1-CE1 3.94Å; W891-Y943 AromaticContact CD2-CD1 3.48Å; W891-Y943 HydrophobicContact CD2-CD1 3.48Å; W891-Y943 VanDerWaalsContact CD2-CD1 3.48Å; W891-Y943 HydrophobicContact CD2-CE1 4.21Å; W891-Y943 HydrophobicContact CD2-CG 4.43Å; W891-Y943 AromaticContact CE2-CD1 3.93Å; W891-Y943 AromaticContact CE3-CD1 3.85Å; W891-Y943 HydrophobicContact CE3-CD1 3.85Å; W891-Y943 AromaticContact CG-CD1 3.44Å; W891-Y943 HydrophobicContact CG-CD1 3.44Å; W891-Y943 VanDerWaalsContact CG-CD1 3.44Å; W891-Y943 AromaticContact CG-CE1 3.66Å; W891-Y943 HydrophobicContact CG-CE1 3.66Å; V893-Y943 HydrophobicContact CG2-CE1 4.01Å |
| 944 | L | 94.9 | Very high | 91.7 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 11% | 0.105 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.3 | -176.4 | -70.2 | -170.4 | 0 | 0 | 0 | 112.6 | I856 T859 F871 P873 I874 W891 I942 F947 | I856-L944 HydrophobicContact CD1-CD1 3.85Å; T859-L944 HydrophobicContact CG2-CD1 4.33Å; T859-L944 HydrophobicContact CG2-CD2 3.97Å; F871-L944 HydrophobicContact CE1-CD1 4.33Å; F871-L944 HydrophobicContact CZ-CD1 4.1Å; F871-L944 HydrophobicContact CZ-CD2 4.26Å; F871-L944 HydrophobicContact CZ-CG 4.37Å; P873-L944 HydrophobicContact CB-CD1 3.53Å; P873-L944 HydrophobicContact CB-CG 3.9Å; P873-L944 HydrophobicContact CG-CD1 4.48Å; I874-L944 PolarHBondContact O-N 2.77Å; I874-L944 VanDerWaalsContact O-N 3.1Å; W891-L944 VanDerWaalsContact CH2-O 3.23Å; W891-L944 WeakPolarHBondContact CH2-O 3.39Å; W891-L944 WeakPolarHBondContact CZ3-O 3.44Å; I942-L944 HydrophobicContact CG2-CD2 4.13Å; I942-L944 PolarHBondContact O-N 2.96Å; L944-F947 HydrophobicContact CB-CB 3.69Å; L944-F947 HydrophobicContact CB-CD1 3.84Å; L944-F947 HydrophobicContact CB-CG 4.09Å; L944-F947 HydrophobicContact CD1-CD1 4.03Å; L944-F947 HydrophobicContact CD1-CE1 4.38Å; L944-F947 HydrophobicContact CD1-CG 4.38Å; L944-F947 HydrophobicContact CG-CD1 4.4Å |
| 945 | R | 93.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 6% | 0.064 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 150.4 | 173.3 | -58.5 | -178.2 | 69.1 | 166.6 | -20.9 | 111.2 | M217 R219 D221 D224 D275 T277 F947 | M217-R945 PolarHBondContact O-NE 3Å; M217-R945 PolarHBondContact O-NH2 3.31Å; R219-R945 PolarHBondContact O-NH2 3.45Å; D221-R945 IonicContact OD2-CZ 2.7Å; D221-R945 IonicContact OD2-NH1 2.86Å; D221-R945 PolarHBondContact OD2-NH1 3.36Å; D224-R945 IonicContact OD2-NH2 3.7Å; D275-R945 WeakPolarHBondContact O-CD 3.44Å; D275-R945 PolarHBondContact O-NE 3.29Å; D275-R945 PolarHBondContact O-NH1 2.97Å; T277-R945 HydrophobicContact CG2-CG 3.74Å; R945-F947 PolarHBondContact O-N 2.96Å |
| 946 | N | 93.3 | Very high | 88.5 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 20.6 | 177.4 | -49.3 | -35.8 | 0 | 0 | 0 | 113.5 | M217 D224 P853 F948 | M217-N946 PolarHBondContact O-OD1 2.97Å; D224-N946 PolarHBondContact OD2-ND2 3.29Å; D224-N946 VanDerWaalsContact OD2-ND2 3.12Å; P853-N946 HydrophobicContact CB-CB 4.13Å; N946-F948 HydrophobicContact CB-CE2 4.42Å |
| 947 | F | 95.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 104.9 | -178.2 | -172.4 | -132.3 | 0 | 0 | 0 | 108.2 | I850 H851 F852 P853 I856 P873 V875 L876 L898 L944 R945 | I850-F947 HydrophobicContact CG2-CD2 4.02Å; I850-F947 HydrophobicContact CG2-CE2 3.39Å; I850-F947 HydrophobicContact CG2-CZ 4.05Å; H851-F947 WeakPolarHBondContact O-CD2 3.33Å; F852-F947 HydrophobicContact CD1-CD2 4.35Å; F852-F947 AromaticContact CD1-CE2 3.69Å; F852-F947 HydrophobicContact CD1-CE2 3.69Å; F852-F947 AromaticContact CE1-CE2 3.78Å; F852-F947 HydrophobicContact CE1-CE2 3.78Å; F852-F947 HydrophobicContact CE1-CZ 4.45Å; P853-F947 HydrophobicContact CG-CB 4.23Å; P853-F947 HydrophobicContact CG-CD2 4.48Å; I856-F947 HydrophobicContact CD1-CE2 4.27Å; P873-F947 HydrophobicContact CB-CD1 4.38Å; P873-F947 HydrophobicContact CB-CE1 3.82Å; P873-F947 HydrophobicContact CG-CE1 3.88Å; P873-F947 HydrophobicContact CG-CZ 4.28Å; V875-F947 HydrophobicContact CB-CD1 3.67Å; V875-F947 HydrophobicContact CB-CE1 3.67Å; V875-F947 HydrophobicContact CG2-CD1 3.65Å; V875-F947 HydrophobicContact CG2-CD2 4.49Å; V875-F947 HydrophobicContact CG2-CE1 3.86Å; V875-F947 HydrophobicContact CG2-CG 4.01Å; V875-F947 HydrophobicContact CG2-CZ 4.39Å; V875-F947 WeakPolarHBondContact CG2-O 3.37Å; L876-F947 PolarHBondContact N-O 3.02Å; L876-F947 VanDerWaalsContact N-O 3.1Å; L898-F947 HydrophobicContact CD1-CE1 3.87Å; L898-F947 HydrophobicContact CD1-CZ 3.84Å; L944-F947 HydrophobicContact CB-CB 3.69Å; L944-F947 HydrophobicContact CB-CD1 3.84Å; L944-F947 HydrophobicContact CB-CG 4.09Å; L944-F947 HydrophobicContact CD1-CD1 4.03Å; L944-F947 HydrophobicContact CD1-CE1 4.38Å; L944-F947 HydrophobicContact CD1-CG 4.38Å; L944-F947 HydrophobicContact CG-CD1 4.4Å; R945-F947 PolarHBondContact O-N 2.96Å |
| 948 | F | 95.6 | Very high | 84.9 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.9 | -169.8 | -54.1 | -68.5 | 0 | 0 | 0 | 111.1 | M217 L218 I850 H851 L876 L878 P884 A887 N946 | M217-F948 HydrophobicContact CE-CE1 3.69Å; M217-F948 HydrophobicContact CE-CZ 4.08Å; M217-F948 HydrophobicContact SD-CE1 4.05Å; M217-F948 HydrophobicContact SD-CZ 4.46Å; L218-F948 HydrophobicContact CD2-CE2 4.45Å; L218-F948 HydrophobicContact CD2-CZ 3.85Å; I850-F948 CarbonylContact C-O 3.53Å; I850-F948 WeakPolarHBondContact CA-O 3.42Å; H851-F948 HydrophobicContact CB-CB 4.24Å; H851-F948 HydrophobicContact CB-CD2 4.44Å; H851-F948 AromaticContact CD2-CD2 3.79Å; H851-F948 PolarHBondContact N-O 3.45Å; H851-F948 PolarHBondContact O-N 3.31Å; L876-F948 HydrophobicContact CB-CD1 3.93Å; L876-F948 HydrophobicContact CB-CE1 4.34Å; L876-F948 HydrophobicContact CD2-CD1 3.75Å; L876-F948 HydrophobicContact CD2-CE1 3.65Å; L876-F948 HydrophobicContact CG-CD1 4.32Å; L876-F948 CarbonylContact O-C 3.58Å; L876-F948 WeakPolarHBondContact O-CA 3.48Å; L878-F948 HydrophobicContact CD1-CB 3.96Å; L878-F948 HydrophobicContact CD1-CG 4.34Å; L878-F948 HydrophobicContact CD2-CD1 3.95Å; L878-F948 HydrophobicContact CD2-CG 4.46Å; L878-F948 HydrophobicContact CG-CB 4.11Å; L878-F948 HydrophobicContact CG-CD1 4.29Å; L878-F948 HydrophobicContact CG-CG 4.44Å; P884-F948 HydrophobicContact CB-CD2 3.65Å; P884-F948 HydrophobicContact CB-CE2 3.72Å; P884-F948 HydrophobicContact CG-CD2 4Å; A887-F948 HydrophobicContact CB-CE1 3.72Å; A887-F948 HydrophobicContact CB-CZ 4.1Å; N946-F948 HydrophobicContact CB-CE2 4.42Å |
| 949 | H | 95.4 | Very high | 82.6 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.5 | 162.9 | -179.5 | -47.1 | 0 | 0 | 0 | 106.6 | I850 V875 L876 R877 L878 H952 | I850-H949 HydrophobicContact CD1-CB 3.71Å; V875-H949 HydrophobicContact CG1-CB 4.03Å; V875-H949 HydrophobicContact CG2-CB 3.86Å; V875-H949 VanDerWaalsContact CG2-N 3.34Å; L876-H949 PolarHBondContact O-N 3.23Å; R877-H949 HydrophobicContact CG-CB 4.06Å; R877-H949 PolarHBondContact NH1-CD2 2.83Å; R877-H949 PolarHBondContact NH1-CE1 3.22Å; R877-H949 PolarHBondContact NH1-ND1 3.21Å; R877-H949 PolarHBondContact NH1-NE2 2.84Å; L878-H949 PolarHBondContact N-O 2.79Å; H949-H952 AromaticContact CE1-CD2 3.54Å; H949-H952 AromaticContact CE1-NE2 3.25Å; H949-H952 PolarHBondContact CE1-NE2 2.89Å; H949-H952 VanDerWaalsContact CE1-NE2 3.25Å; H949-H952 AromaticContact NE2-NE2 3.84Å |
| 950 | H | 92.4 | Very high | 80 | Confident | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.069 | 19% | 0.185 | C | C | . | . | trans | -64.9 | 152 | 179.4 | -72.4 | -87.1 | 0 | 0 | 0 | 111.7 | W768 H849 | W768-H950 HydrophobicContact CH2-CB 3.39Å; W768-H950 AromaticContact CH2-CG 3.73Å; W768-H950 HydrophobicContact CZ2-CB 4.26Å; W768-H950 HydrophobicContact CZ3-CB 3.86Å; W768-H950 AromaticContact CZ3-CD2 3.85Å; W768-H950 AromaticContact CZ3-CG 3.77Å; H849-H950 PolarHBondContact O-N 2.61Å | ||
| 951 | Y | 90.1 | Very high | 77.1 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 35% | 0.349 | 22% | 0.22 | S | C | . | . | trans | -67.8 | 136.5 | 168.2 | -175.6 | -92.5 | 0 | 0 | 0 | 111 | D28 C880 | D28-Y951 HydrophobicContact CB-CE1 4.42Å; D28-Y951 WeakPolarHBondContact O-CD1 3.33Å; C880-Y951 VanDerWaalsContact CA-CG 3.48Å; C880-Y951 HydrophobicContact CB-CD1 3.72Å; C880-Y951 HydrophobicContact CB-CD2 3.76Å; C880-Y951 HydrophobicContact CB-CE1 3.77Å; C880-Y951 HydrophobicContact CB-CE2 3.8Å; C880-Y951 HydrophobicContact CB-CG 3.71Å; C880-Y951 VanDerWaalsContact SG-CD1 3.57Å; C880-Y951 WeakPolarHBondContact SG-CE1 3.36Å | ||
| 952 | H | 85.5 | Confident | 74 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | trans | -154.9 | 157 | 167.6 | 66.4 | 84.4 | 0 | 0 | 0 | 108.5 | W768 H849 H949 | W768-H952 HydrophobicContact CZ2-CB 4.33Å; H849-H952 AromaticContact CE1-CD2 3.82Å; H849-H952 AromaticContact CE1-CE1 3.83Å; H849-H952 AromaticContact CE1-CG 3.88Å; H849-H952 AromaticContact CE1-ND1 3.87Å; H849-H952 AromaticContact CE1-NE2 3.76Å; H849-H952 AromaticContact CG-CD2 3.45Å; H849-H952 VanDerWaalsContact CG-CD2 3.45Å; H849-H952 AromaticContact CG-NE2 3.78Å; H849-H952 AromaticContact ND1-CD2 2.99Å; H849-H952 PolarHBondContact ND1-CD2 3.09Å; H849-H952 AromaticContact ND1-CE1 3.43Å; H849-H952 PolarHBondContact ND1-CE1 3.43Å; H849-H952 AromaticContact ND1-CG 3.5Å; H849-H952 AromaticContact ND1-ND1 3.73Å; H849-H952 AromaticContact ND1-NE2 2.92Å; H849-H952 PolarHBondContact ND1-NE2 3.19Å; H949-H952 AromaticContact CE1-CD2 3.54Å; H949-H952 AromaticContact CE1-NE2 3.25Å; H949-H952 PolarHBondContact CE1-NE2 2.89Å; H949-H952 VanDerWaalsContact CE1-NE2 3.25Å; H949-H952 AromaticContact NE2-NE2 3.84Å | ||
| 953 | S | 73.7 | Confident | 70.7 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | trans | -80.2 | 169.6 | 169.5 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | D28 R955 | D28-S953 VanDerWaalsContact CG-CB 3.49Å; D28-S953 WeakPolarHBondContact OD1-CB 3.45Å; D28-S953 PolarHBondContact OD1-OG 3.37Å; D28-S953 VanDerWaalsContact OD1-OG 3.07Å; D28-S953 WeakPolarHBondContact OD2-CB 3.04Å; D28-S953 PolarHBondContact OD2-N 3.26Å; D28-S953 PolarHBondContact OD2-OG 2.91Å; S953-R955 PolarHBondContact O-N 2.9Å; S953-R955 WeakPolarHBondContact OG-CB 3.29Å; S953-R955 PolarHBondContact OG-N 2.87Å | ||
| 954 | K | 66.4 | Low | 67.5 | Low | 48 Ų | 48 | 65.1 Ų | 65.1 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -78.1 | -4.2 | 170.5 | -66.1 | -178.3 | -178.9 | 176.8 | 0 | 113.3 | D357 W921 G956 M957 | D357-K954 VanDerWaalsContact N-NZ 3.12Å; D357-K954 WeakPolarHBondContact OD2-CE 3.26Å; D357-K954 IonicContact OD2-NZ 2.72Å; D357-K954 PolarHBondContact OD2-NZ 3.45Å; W921-K954 VanDerWaalsContact CH2-NZ 3.29Å; K954-G956 PolarHBondContact O-N 2.83Å; K954-M957 PolarHBondContact O-N 2.89Å |
| 955 | R | 63.7 | Low | 64.2 | Low | 89 Ų | 89 | 68.4 Ų | 68.4 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 127.3 | -171.6 | -170.2 | 178.7 | -116.4 | -178.9 | 9.4 | 111.5 | E27 R368 S953 M957 | E27-R955 IonicContact OE1-NH1 2.95Å; E27-R955 WeakPolarHBondContact OE2-CD 3.49Å; E27-R955 IonicContact OE2-CZ 3.91Å; E27-R955 IonicContact OE2-NE 2.7Å; E27-R955 IonicContact OE2-NH1 3.96Å; E27-R955 PolarHBondContact OE2-NH1 2.98Å; R368-R955 VanDerWaalsContact NH2-NH1 3.14Å; S953-R955 PolarHBondContact O-N 2.9Å; S953-R955 WeakPolarHBondContact OG-CB 3.29Å; S953-R955 PolarHBondContact OG-N 2.87Å; R955-M957 VanDerWaalsContact C-N 3.31Å; R955-M957 PolarHBondContact O-N 2.81Å |
| 956 | G | 58.3 | Low | 61 | Low | 45 Ų | 45 | 76 Ų | 76 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -23.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K954 | K954-G956 PolarHBondContact O-N 2.83Š|
| 957 | M | 57 | Low | 57.9 | Low | 34 Ų | 34 | 84.6 Ų | 84.6 | 17% | 0.167 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -44 | -175.1 | -64.9 | -164.8 | -70.7 | 0 | 0 | 113.3 | K954 R955 | K954-M957 PolarHBondContact O-N 2.89Å; R955-M957 VanDerWaalsContact C-N 3.31Å; R955-M957 PolarHBondContact O-N 2.81Å |
| 958 | W | 56.8 | Low | 56 | Low | 51 Ų | 51 | 88.9 Ų | 88.9 | 19% | 0.193 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -104 | 12.3 | -173.6 | -58.1 | 101.1 | 0 | 0 | 0 | 113.3 | F823 R825 W921 R960 | F823-W958 HydrophobicContact CD1-CD2 4.39Å; F823-W958 HydrophobicContact CD1-CE3 4.08Å; F823-W958 AromaticContact CD1-CH2 3.99Å; F823-W958 HydrophobicContact CD1-CH2 3.99Å; F823-W958 HydrophobicContact CD1-CZ2 4.25Å; F823-W958 AromaticContact CD1-CZ3 3.88Å; F823-W958 HydrophobicContact CD1-CZ3 3.88Å; F823-W958 AromaticContact CE1-CH2 3.81Å; F823-W958 HydrophobicContact CE1-CH2 3.81Å; F823-W958 AromaticContact CE1-CZ2 3.88Å; F823-W958 HydrophobicContact CE1-CZ2 3.88Å; F823-W958 HydrophobicContact CE1-CZ3 4.2Å; R825-W958 HydrophobicContact CB-CH2 3.79Å; R825-W958 HydrophobicContact CB-CZ2 4.44Å; W921-W958 HydrophobicContact CB-CD2 4.35Å; W921-W958 HydrophobicContact CB-CZ2 4.01Å; W921-W958 AromaticContact CD1-CZ2 3.75Å; W921-W958 AromaticContact CD1-NE1 3.88Å; W921-W958 HydrophobicContact CG-CZ2 4.3Å; W958-R960 PolarHBondContact O-N 3.37Å |
| 959 | N | 46.6 | Very low | 53.9 | Low | 121 Ų | 121 | 93.4 Ų | 93.4 | 65% | 0.647 | 50% | 0.496 | S | S | * | . | trans | -66.3 | 107.9 | -176.7 | -74.9 | 12.3 | 0 | 0 | 0 | 111.1 | K961 | N959-K961 PolarHBondContact O-N 2.69Š| ||
| 960 | R | 41 | Very low | 51.6 | Low | 181 Ų | 181 | 98.3 Ų | 98.3 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | trans | -52 | 137.3 | 162.5 | -85.2 | -177.1 | 161.6 | -175.1 | -6 | 110.2 | E919 W958 M962 | E919-R960 IonicContact OE2-CZ 2.97Å; E919-R960 IonicContact OE2-NE 3.62Å; E919-R960 PolarHBondContact OE2-NE 2.92Å; E919-R960 IonicContact OE2-NH2 3.27Å; E919-R960 PolarHBondContact OE2-NH2 3Å; W958-R960 PolarHBondContact O-N 3.37Å; R960-M962 PolarHBondContact O-N 3.11Å | ||
| 961 | K | 35.7 | Very low | 49.2 | Very low | 171 Ų | 171 | 103.2 Ų | 103.2 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | -59.9 | 103.1 | 151.6 | -76.2 | -178.1 | 175.1 | 178.6 | 0 | 107.5 | N959 S963 | N959-K961 PolarHBondContact O-N 2.69Å; K961-S963 PolarHBondContact O-N 3.04Å | ||
| 962 | M | 28.2 | Very low | 46.6 | Very low | 180 Ų | 180 | 104.1 Ų | 104.1 | 89% | 0.887 | 56% | 0.561 | S | S | * | * | trans | -54.6 | 130.7 | 155.2 | -77.3 | -167.9 | 170.4 | 0 | 0 | 106.9 | R960 A964 | R960-M962 PolarHBondContact O-N 3.11Å; M962-A964 PolarHBondContact O-N 3.07Å | ||
| 963 | S | 25.1 | Very low | 44 | Very low | 113 Ų | 113 | 108.8 Ų | 108.8 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | trans | -52.7 | 134.2 | 177.5 | 39 | 0 | 0 | 0 | 0 | 109 | K961 S965 | K961-S963 PolarHBondContact O-N 3.04Å; S963-S965 PolarHBondContact O-N 3.13Å | ||
| 964 | A | 28 | Very low | 41.9 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -57.2 | 113.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | M962 Q966 | M962-A964 PolarHBondContact O-N 3.07Å; A964-Q966 PolarHBondContact O-N 3.12Å | ||
| 965 | S | 25.6 | Very low | 40 | Very low | 89 Ų | 89 | 119.9 Ų | 119.9 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | trans | -60.4 | 108.7 | 172.8 | 50.7 | 0 | 0 | 0 | 0 | 107.2 | S963 | S963-S965 PolarHBondContact O-N 3.13Š| ||
| 966 | Q | 26.9 | Very low | 38 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -63.6 | 154.5 | 167.4 | -67.9 | 179.2 | -26.1 | 0 | 0 | 109 | A964 | A964-Q966 PolarHBondContact O-N 3.12Š| ||
| 967 | T | 27.2 | Very low | 36.2 | Very low | 214 Ų | 214 | 129.5 Ų | 129.5 | 100% | 1.313 | 70% | 0.695 | S | S | * | * | trans | 60.5 | 0 | -170 | 65.6 | 0 | 0 | 0 | 0 | 114.1 |
Retrieved 967 of 967 residues in 1182.2 ms
(Link to these results)